CCn1c(=O)c2c(nc(SCC(=O)NC[C@H]3CCCO3)n2C)n(C)c1=O ZINC000001340423 GB Annotated Anodyne CCn1c(=O)c2c(nc(SCC(=O)NC[C@@H]3CCCO3)n2C)n(C)c1=O ZINC000001340424 GB Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C3/CC[C@]4(O)O[C@]4(C[C@H](O[C@@H](O)C(=C)CO)[C@H]12)[C@H](O)OC3 ZINC000100003172 GB Annotated Mild in-vitro biogenic Nc1nc(=O)c2c([nH]1)N[C@H]1O[C@@H](COP(=O)(O)O)C(S)=C(S)[C@H]1N2 ZINC000100031184 GB Annotated Anodyne in-man Nc1nc2c(c(=O)[nH]1)N[C@@H]1C(S)=C(O)[C@@H](COP(=O)(O)O)O[C@H]1N2 ZINC000100080711 GB Annotated Anodyne in-vitro Nc1nc2c(c(=O)[nH]1)N[C@@H]1C(S)=C(O)[C@H](COP(=O)(O)O)O[C@H]1N2 ZINC000100080717 GB Annotated Anodyne in-vitro Nc1nc2c(c(=O)[nH]1)N[C@H]1C(S)=C(O)[C@@H](COP(=O)(O)O)O[C@H]1N2 ZINC000100080720 GB Annotated Anodyne in-vitro Nc1nc2c(c(=O)[nH]1)N[C@H]1C(S)=C(O)[C@H](COP(=O)(O)O)O[C@H]1N2 ZINC000100080724 GB Annotated Anodyne in-vitro O=C(O)C1=C/C(=C/C=N\[C@@H](CC2=CC(=O)C(=O)C=C2)C(=O)O)C[C@@H](C(=O)O)N1 ZINC000100202608 GB Annotated Mild in-vitro C[C@@H](O)/C=C/[C@@]12O[C@@]1(C)C[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CC2(C)C ZINC000100255983 GB Annotated Anodyne in-man metabolite C[C@H](O)/C=C/[C@@]12O[C@@]1(C)C[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CC2(C)C ZINC000100255987 GB Annotated Anodyne in-man metabolite C[C@@H](O)/C=C/[C@]12O[C@@]1(C)C[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CC2(C)C ZINC000100255991 GB Annotated Anodyne in-man metabolite C[C@H](O)/C=C/[C@]12O[C@@]1(C)C[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CC2(C)C ZINC000100255995 GB Annotated Anodyne in-man metabolite CC1=C[C@@H]2O[C@@H]3[C@@H](O)[C@@H](O)[C@](C)([C@@]2(CO)C[C@@H]1OC(=O)CC(C)(C)O)[C@@]31CO1 ZINC000100257189 GB Annotated Anodyne in-man biogenic CC1=C[C@H]2O[C@@H]3[C@@H](O)[C@@H](O)[C@](C)([C@@]2(CO)C[C@@H]1OC(=O)CC(C)(C)O)[C@@]31CO1 ZINC000100257193 GB Annotated Anodyne in-man biogenic CC1=C[C@@H]2O[C@H]3[C@@H](O)[C@@H](O)[C@](C)([C@@]2(CO)C[C@@H]1OC(=O)CC(C)(C)O)[C@@]31CO1 ZINC000100257198 GB Annotated Anodyne in-man biogenic CC1=C[C@H]2O[C@H]3[C@@H](O)[C@@H](O)[C@@](C)([C@@]34CO4)[C@@]2(CO)C[C@@H]1OC(=O)CC(C)(C)O ZINC000100257203 GB Annotated Anodyne in-man biogenic Nc1nc2c(c(=O)[nH]1)N[C@H]1C(S)=C(S)[C@H](COP(=O)(O)O)O[C@@H]1N2 ZINC000100352686 GB Annotated Anodyne in-man O=C(O)C1=C/C(=C/C=N/[C@H](CC2=CC(=O)C(=O)C=C2)C(=O)O)C[C@H](C(=O)O)N1 ZINC000100364177 GB Annotated Mild in-man endogenous O=C(O)C1=C/C(=C/C=N/[C@H](CC2=CC(=O)C(=O)C=C2)C(=O)O)C[C@@H](C(=O)O)N1 ZINC000100364181 GB Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781417 GB Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781419 GB Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100781422 GB Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100781424 GB Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100782346 GB Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100782349 GB Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100782351 GB Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100782353 GB Annotated Mild in-man endogenous C=CCOC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@@H]3CN21 ZINC000100801090 GB Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCC#N)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100801168 GB Annotated Mild CCSCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000100801415 GB Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C4CSCCN=C4C3=O)N1C[C@@H]1N[C@@H]12 ZINC000100804327 GB Annotated Mild COCC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@H]3N[C@H]3[C@]1(OC)[C@H]2COC(N)=O ZINC000100812490 GB Annotated Mild COCC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@H]3N[C@H]3[C@@]1(OC)[C@H]2COC(N)=O ZINC000100812491 GB Annotated Mild C[C@H](/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100826570 GB Annotated Anodyne in-man C[C@@H](/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100826571 GB Annotated Anodyne in-man C[C@H](/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100826573 GB Annotated Anodyne in-man C[C@@H](/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100826576 GB Annotated Anodyne in-man CCCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100826761 GB Annotated Mild in-man CCCCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100826762 GB Annotated Mild in-man CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4CC4)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100826934 GB Annotated Mild CN1C(=O)C[C@@H](N2CCN(CCNC=C3C(=O)CC(C)(C)CC3=O)CC2)C1=O ZINC000100890114 GB Annotated Mild CN1C(=O)C[C@H](N2CCN(CCNC=C3C(=O)CC(C)(C)CC3=O)CC2)C1=O ZINC000100890115 GB Annotated Mild COCCNC(=O)N/N=C/c1ccc2c(c1)[n+]([O-])c1cc(C#N)c(N)cc1[n+]2[O-] ZINC000100894764 GB Annotated Reactive C[C@]12OC[C@@]3(C[C@@H]1O)[C@H](O[C@@H]1[C@H](O)[C@@H](O)[C@@]3(C)[C@]13CO3)[C@@H]2Br ZINC000100944995 GB Annotated Reactive C=C(C)CNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000100997295 GB Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12[C@@H](O)O[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@H]2O ZINC000101130651 GB Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@H](O)CCC(C)(C)[C@H]1[C@H](O)[C@]3(O)O[C@H]2O ZINC000101130654 GB Annotated Mild COCC1=C2[C@@H](OC(C)=O)C[C@@]3(C)O[C@@]2(OC1=O)[C@H](O)[C@@]1(C)CC[C@]3(O)O1 ZINC000101131833 GB Annotated Anodyne CCN(CC)C1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000101190041 GB Annotated Mild CCN(CC)C1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000101190046 GB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCF)C3=O)N1C[C@H]1N[C@H]12 ZINC000101216092 GB Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCF)C3=O)N1C[C@H]1N[C@H]12 ZINC000101216094 GB Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N\CCS)C(C)=C1O)[C@@H]2COC(N)=O ZINC000101220905 GB Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N/CCS)C3=O)N1C[C@H]1N[C@@H]12 ZINC000101220908 GB Annotated Mild CCCCCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000101227624 GB Annotated Mild C#CC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@@H]3[C@@H](N3C)[C@]1(OC)[C@H]2COC(N)=O ZINC000101364975 GB Annotated Mild C#CC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@@H]3[C@@H](N3C)[C@@]1(OC)[C@H]2COC(N)=O ZINC000101364979 GB Annotated Mild C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@@](O)([C@@H](O)[C@@H]4[C@](C)(CO)CC[C@H]5O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000101433643 GB Annotated Mild CC(=O)N[C@H](CCCCN)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)NCCC(=O)O)C2 ZINC000101486827 GB Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCS)C3=O)N1C[C@H]1N[C@H]12 ZINC000101492142 GB Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCS)C3=O)N1C[C@H]1N[C@H]12 ZINC000101492144 GB Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1[C@@](C)(CO)CC[C@@H]2O ZINC000101634522 GB Annotated Mild O=C1O[C@@H]([C@H](O)CO)C(O)=C1OCCCOc1no[n+]([O-])c1-c1ccccc1 ZINC000101649482 GB Annotated Anodyne O=C1O[C@H]([C@H](O)CO)C(O)=C1OCCCOc1no[n+]([O-])c1-c1ccccc1 ZINC000101649486 GB Annotated Anodyne O=C1O[C@@H]([C@@H](O)CO)C(O)=C1OCCCOc1no[n+]([O-])c1-c1ccccc1 ZINC000101649491 GB Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)C(O)=C1OCCCOc1no[n+]([O-])c1-c1ccccc1 ZINC000101649494 GB Annotated Anodyne CC(C)[C@@]1(O)C[C@]2(O)[C@@]3(O)[C@@H]4O[C@@](O)(C[C@]2(C)[C@]2(O)CC[C@H](C)[C@]42O)[C@]13C ZINC000101689943 GB Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC4CC4)C3=O)N1C[C@H]1N[C@@H]12 ZINC000101798942 GB Annotated Mild COc1ccc(/C=N/c2nc3[nH]nc(C)n3c(=O)c2S(=O)(=O)NN)cc1 ZINC000101831567 GB Annotated Mild C[C@@H]1OC=C2[C@@H](O)[C@H]3O[C@H]3C(=O)[C@]23[C@@H]2O[C@H](C)[C@H](C4=C2[C@@H](O)[C@H]2O[C@@H]2C4=O)[C@@H]13 ZINC000102708296 GB Annotated Mild C[C@@H]1OC=C2[C@@H](O)[C@H]3O[C@H]3C(=O)[C@]23[C@@H]2O[C@H](C)[C@@H](C4=C2[C@@H](O)[C@H]2O[C@@H]2C4=O)[C@@H]13 ZINC000102708300 GB Annotated Mild CCCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000102937921 GB Annotated Mild COCc1nnn(-c2nonc2N)c1C(=O)N/N=C(/C)c1ccc(O)cc1O ZINC000102940152 GB Annotated Reactive COC(=O)C1=C(O)[C@@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)CC[C@@H]1[C@@H]2C(=O)OC ZINC000102948874 GB Annotated Anodyne COC(=O)C1=C(O)[C@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)CC[C@@H]1[C@@H]2C(=O)OC ZINC000102948879 GB Annotated Anodyne CCNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@H](N3C)[C@]12OC ZINC000102955941 GB Annotated Mild N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@@H]1/N=C/NNC(=O)c1ccncc1 ZINC000103168190 GB Annotated Reactive N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@H]1/N=C/NNC(=O)c1ccncc1 ZINC000103168191 GB Annotated Reactive CC1(C)[C@H](O)C[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@@H](O)[C@H]3[C@]23CO[C@@H](O)[C@H]13)[C@](C)(O)C4=O ZINC000103240386 GB Annotated Anodyne NCC(=O)Nc1cncc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1 ZINC000103269095 GB Annotated Anodyne CCOP(=O)(OCC)[C@H](O)CCn1cc(Cn2ncc(=O)[nH]c2=O)nn1 ZINC000103278374 GB Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)CCn1cc(Cn2ncc(=O)[nH]c2=O)nn1 ZINC000103278378 GB Annotated Anodyne CCOP(=O)(C[C@H](O)Cn1cc(Cn2ncc(=O)[nH]c2=O)nn1)OCC ZINC000103279867 GB Annotated Anodyne CCOP(=O)(C[C@@H](O)Cn1cc(Cn2ncc(=O)[nH]c2=O)nn1)OCC ZINC000103279869 GB Annotated Anodyne N=C(N)NS(=O)(=O)c1ccc(NNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000103281988 GB Annotated Anodyne C[C@@H]1CC[C@@]2(O)[C@@H]1[C@H]1O[C@@]3(O)C[C@]2(C)[C@@H]2[C@@H](O)[C@](O)(C(C)(C)O)[C@@]3(C)[C@]12O ZINC000103287618 GB Annotated Anodyne CC(C)[C@@]1(O)[C@H](O)[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@](C)(O)[C@@H]42)[C@@]13C ZINC000103287622 GB Annotated Anodyne C[C@@H](CO)[C@@]1(O)[C@H](O)[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@H](C)[C@@H]42)[C@@]13C ZINC000103287626 GB Annotated Anodyne C[C@@H]1CC[C@@]2(O)[C@@H]1[C@H]1O[C@@]3(O)C[C@]2(C)[C@@H]2[C@@H](O)[C@](O)([C@H](C)CO)[C@@]3(C)[C@]12O ZINC000103287629 GB Annotated Anodyne CCOC(=O)c1cnn2c(=O)[nH]c(SCc3[nH]c(=O)[nH]c(=O)c3Cl)nc12 ZINC000103288859 GB Annotated Anodyne CC(=O)Nc1nc(O)c2c(n1)n(CC(=O)c1ccc(O)c(C(N)=O)c1)c[n+]2C ZINC000103292788 GB Annotated Anodyne C[n+]1cn(CC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)c2nc(N)nc(O)c21 ZINC000103292820 GB Annotated Anodyne CN1CCN(C2=C[C@H]3N=C([C@H]4C(=O)N=c5cccc(F)c5=C4N)N=C3C=C2)CC1 ZINC000103522700 GB Annotated Anodyne CN1CCN(C2=C[C@@H]3N=C([C@H]4C(=O)N=c5cccc(F)c5=C4N)N=C3C=C2)CC1 ZINC000103522704 GB Annotated Anodyne C[C@H](O)/C=C/[C@]12O[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C ZINC000103536014 GB Annotated Anodyne in-vitro biogenic C[C@@H](O)[C@@H](C=O)[C@@H]1NC(C(=O)O)=C(S[C@@H]2CN[C@H](C(=O)N(C)C)C2)[C@@H]1C ZINC000103547705 GB Annotated Mild CC(C)(O)[C@@]1(O)[C@H](O)[C@@]23O[C@H]2C[C@H]2C4=C(CC[C@]2(C)[C@@]32O[C@H]2[C@H]1O)C(=O)OC4 ZINC000103571150 GB Annotated Anodyne in-vitro biogenic CC(C)(O)[C@@]1(O)[C@H](O)[C@]23O[C@H]2C[C@H]2C4=C(CC[C@]2(C)[C@]32O[C@H]2[C@H]1O)C(=O)OC4 ZINC000103571154 GB Annotated Anodyne in-vitro biogenic CC(C)(O)[C@@]1(O)[C@H](O)[C@@]23O[C@H]2C[C@H]2C4=C(CC[C@]2(C)[C@]32O[C@H]2[C@H]1O)C(=O)OC4 ZINC000103571159 GB Annotated Anodyne in-vitro biogenic CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(=N)C(C)=C1O)[C@@H]2COC(=O)NCCO ZINC000103941255 GB Annotated Mild CO[C@@]12[C@H](COC(=O)NCCO)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@H]1N[C@@H]12 ZINC000103941262 GB Annotated Mild COC1=CC=C/C(=C\NNC(=O)C(=O)NN/C=C2\C=CC=C(OC)C2=O)C1=O ZINC000104011536 GB Annotated Reactive C/N=C1\N(C)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C(=O)OC)N12 ZINC000104188797 GB Annotated Mild C[C@H](O)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CC2(C)C ZINC000104356299 GB Annotated Anodyne in-man C[C@@H](O)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CC2(C)C ZINC000104356303 GB Annotated Anodyne in-man C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000104371532 GB Annotated Mild in-man C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104371538 GB Annotated Mild in-man C[C@@H](/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000104374958 GB Annotated Anodyne in-man C[C@H](/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000104374962 GB Annotated Anodyne in-man C=C1[C@H](O)[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12CC[C@@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104375420 GB Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104375427 GB Annotated Mild in-man CCN1[C@@H]2[C@@H]3N(C(C)=O)C(C4N(C(C)=O)[C@H]1[C@@H](N4C(C)=O)N3CC)N2C(C)=O ZINC000104450103 GB Annotated Anodyne CCN1[C@@H]2[C@@H]3N(C(C)=O)C(C4N(C(C)=O)[C@@H]1[C@@H](N4C(C)=O)N3CC)N2C(C)=O ZINC000104450108 GB Annotated Anodyne CCN1[C@@H]2[C@@H]3N(C(C)=O)C(C4N(C(C)=O)[C@H]1[C@H](N4C(C)=O)N3CC)N2C(C)=O ZINC000104450111 GB Annotated Anodyne CCC(=O)N1C2C3N(C(=O)CC)[C@H]4N[C@@H]1[C@@H](N[C@@H]4N3C(=O)CC)N2C(=O)CC ZINC000104460660 GB Annotated Anodyne CCC(=O)N1C2C3N(C(=O)CC)[C@@H]4N[C@@H]1[C@@H](N[C@@H]4N3C(=O)CC)N2C(=O)CC ZINC000104460664 GB Annotated Anodyne CCC(=O)N1C2C3N(C(=O)CC)[C@@H]4N[C@@H]1[C@@H](N[C@H]4N3C(=O)CC)N2C(=O)CC ZINC000104460669 GB Annotated Anodyne C=CCCC/C(=N/OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000104863269 GB Annotated Mild C[C@H](N)C(=O)N[C@@H]1[C@@H]2C(=C(O)C[C@H](O)[C@@H]2O)C(=O)O[C@]1(C)C(Cl)Cl ZINC000105392676 GB Annotated Reactive CC(=O)O[C@H](COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])CN1CCCCC1 ZINC000011593021 GB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](C(=O)N(C)C)C3)[C@H](C)[C@@H]12 ZINC000011616732 GB Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](C(=O)N(C)C)C3)[C@H](C)[C@@H]12 ZINC000011616733 GB Annotated Anodyne C[C@@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](C(=O)N(C)C)C3)[C@H](C)[C@@H]12 ZINC000011616734 GB Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](C(=O)N(C)C)C3)[C@H](C)[C@@H]12 ZINC000011616735 GB Annotated Anodyne O=C(C[C@H]1C(=O)NCCN1CCCc1ccccc1)NCCN1CCNC1=O ZINC000011954579 GB Annotated Anodyne O=C(C[C@@H]1C(=O)NCCN1CCCc1ccccc1)NCCN1CCNC1=O ZINC000011954587 GB Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@]4(O)C(=O)OC[C@]13[C@@H]24 ZINC000115726088 GB Annotated Mild O=C1C=C/C(=C\NNC(=O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(O)=C1 ZINC000012475179 GB Annotated Reactive NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H]1CCCN(O)C1=O ZINC000013412820 GB Annotated Clean N[C@@H](CO)c1cn([C@@H](Cc2cc3ccccc3[nH]2)C(=O)N2CCNCC2)nn1 ZINC000013478078 GB Annotated Anodyne Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccncc2)c1CN1CCCC1 ZINC000013524596 GB Annotated Reactive CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C=O)OC(C)=O ZINC000013533153 GB Annotated Mild in-vitro CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C=O)OC(C)=O ZINC000013533159 GB Annotated Mild in-vitro COC(=O)[C@@H]1CSCc2c(O)cc(O)c(C)c2C(=O)OC[C@H](N)C(=O)N1 ZINC000013559792 GB Annotated Anodyne CCCN(CCC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@](O)(C(=O)O)C[C@@H]1N=C(N)N ZINC000013560268 GB Annotated Mild CCCN(CCC)C(=O)[C@H](NC(C)=O)[C@H]1C[C@@](O)(C(=O)O)C[C@@H]1N=C(N)N ZINC000013560269 GB Annotated Mild CCCN(CCC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@](O)(C(=O)O)C[C@@H]1N=C(N)N ZINC000013560270 GB Annotated Mild CCCN(CCC)C(=O)[C@H](NC(C)=O)[C@H]1C[C@](O)(C(=O)O)C[C@@H]1N=C(N)N ZINC000013560271 GB Annotated Mild O=C(NO)[C@H]1CNCCN1S(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000013587231 GB Annotated Anodyne C/N=C(/NCc1cccc(-c2csc(N=C(N)N)n2)n1)NS(C)(=O)=O ZINC000013600825 GB Annotated Mild C[C@H]1C[C@@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013660035 GB Annotated Anodyne in-man C[C@@H](/C=C/[C@@]1(O)[C@@H](C)C[C@@H](O)CC1(C)C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013660037 GB Annotated Anodyne in-man C[C@H]1C[C@@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013660040 GB Annotated Anodyne in-man C[C@@H](/C=C/[C@@]1(O)[C@@H](C)C[C@@H](O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013660042 GB Annotated Anodyne in-man NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@H](CCN1CCOCC1)CN2 ZINC000013733653 GB Annotated Anodyne NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@@H](CCN1CCOCC1)CN2 ZINC000013733656 GB Annotated Anodyne C#C[C@H](CC(=O)O)NC(=O)Cn1cnc2ccc(N3CCNCC3)cc2c1=O ZINC000013760124 GB Annotated Mild CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1[C@H](O)[C@@]1(O)C4=C(CC[C@]31C)C(=O)OC4)[C@H]2O ZINC000136065438 GB Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1[C@H](O)[C@@]1(O)C4=C(CC[C@]31C)C(=O)OC4)[C@@H]2O ZINC000136542734 GB Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1[C@H](O)[C@@]1(O)C4=C(CC[C@]31C)C(=O)OC4)C2=O ZINC000137233556 GB Annotated Anodyne CC1(C)[C@@H](O)[C@@H](O)[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000137746654 GB Annotated Anodyne C/C=C/C#CC#CC[C@H](/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000137797829 GB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCl)C3=O)N1C[C@H]1N[C@H]12 ZINC000139217300 GB Annotated Reactive CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCl)C3=O)N1C[C@H]1N[C@H]12 ZINC000139217397 GB Annotated Reactive CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(CC(C)C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000139276107 GB Annotated Mild CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(=O)(=O)N=[N+]=[N-])O1 ZINC000014277377 GB Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C@@H]1CO[C@@H]3[C@@H]4C[C@H]5[C@H]([C@H]([C@@H]2N2CCO[C@H]52)N13)N4C ZINC000140386163 GB Annotated Mild COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@@H](O)[C@H](OC(C)=O)[C@@](C)(O)[C@@H]1O ZINC000140590614 GB Annotated Mild O=C1O[C@H]([C@H](O)CO)C(OCCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])=C1O ZINC000140632044 GB Annotated Anodyne C=CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3[C@@H](CN21)N3C ZINC000141107067 GB Annotated Mild C=CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@H]3[C@@H](CN21)N3C ZINC000141107276 GB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC4CC4)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000141122831 GB Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC4CC4)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000141123016 GB Annotated Mild C[C@H]1OC=C2[C@H](O)[C@H]3O[C@H]3C(=O)[C@]23[C@H]2O[C@H](C)[C@@H](C4=C2[C@H](O)[C@H]2O[C@H]2C4=O)[C@H]13 ZINC000141830939 GB Annotated Anodyne C[C@H](/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000143697935 GB Annotated Anodyne Nc1ncnc2c1nc(NCc1ccc(F)cc1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000143746289 GB Annotated Anodyne C[C@H]1O[C@@H](n2cnc3c(N)nc(I)nc32)[C@H](O)[C@@H]1O ZINC000143759656 GB Annotated Anodyne N#C[C@H](O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 ZINC000014502980 GB Annotated Mild O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@@H](O)C(=O)[C@@H]1O ZINC000014517229 GB Annotated Anodyne O=C(O)CC(=O)OC[C@@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@@H](O)C(=O)[C@@H]1O ZINC000014517234 GB Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014587665 GB Annotated Anodyne in-man CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014587666 GB Annotated Anodyne in-man CC1=C[C@@H](O)CC(C)(C)[C@]1(O)CC[C@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014587667 GB Annotated Anodyne in-man CC1=C[C@@H](O)CC(C)(C)[C@]1(O)CC[C@@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014587668 GB Annotated Anodyne in-man CC(C)CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590809 GB Annotated Mild in-man CC(C)CC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590810 GB Annotated Mild in-man CC(C)CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590811 GB Annotated Mild in-man CC(C)CC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590812 GB Annotated Mild in-man CCC/C=C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014649419 GB Annotated Mild in-man CCC/C=C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014649421 GB Annotated Mild in-man CCC/C=C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014649423 GB Annotated Mild in-man CCC/C=C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014649425 GB Annotated Mild in-man C=CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014649427 GB Annotated Mild in-man C=CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014649429 GB Annotated Mild in-man C=CCCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014649431 GB Annotated Mild in-man C=CCCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014649433 GB Annotated Mild in-man CCCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014649501 GB Annotated Mild in-man CCCCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014649504 GB Annotated Mild in-man CC[C@@H]1C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@H]1O)[C@]23O ZINC000014719147 GB Annotated Bother CN1C(CN2CCOCC2)=Cc2sc(S(N)(=O)=O)cc2S1(=O)=O ZINC000014948038 GB Annotated Anodyne COC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000014965709 GB Annotated Anodyne O=c1[nH]c(N2CCN(c3[nH]c(=O)[nH]c(=O)c3Cl)CC2)c(Cl)c(=O)[nH]1 ZINC000014972714 GB Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1 ZINC000014978602 GB Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)CCn2nnnc2CN2CCOCC2)C1 ZINC000014978605 GB Annotated Anodyne CC1(C)[C@@H](O)[C@H](O)[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000145527138 GB Annotated Anodyne CC1=C(/C=C/[C@@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O ZINC000145873562 GB Annotated Anodyne CC1=C(/C=C/[C@@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O ZINC000145874148 GB Annotated Anodyne C[C@@H](O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C ZINC000145874944 GB Annotated Anodyne C[C@@H](O)/C=C/[C@@]1(O)[C@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C ZINC000145876659 GB Annotated Anodyne Cc1cc2c(c(C)c1CCO)C(=O)[C@](C)(CO)[C@@H]2O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000146268100 GB Annotated Anodyne C[C@@H](CC[C@@H]1[C@@H](CO)C[C@H](O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000146831876 GB Annotated Anodyne CC(C)[C@H](N)C(=O)O[C@H]1[C@@H](F)[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)CCl ZINC000147005109 GB Annotated Anodyne CC(C)[C@H](N)C(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O ZINC000147006194 GB Annotated Anodyne CCCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000149107259 GB Annotated Mild in-vitro C=C(C)CNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000001575278 GB Annotated Mild CCN(C[C@H](COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])OC(C)=O)C(C)=O ZINC000001617271 GB Annotated Anodyne O=c1c2ccccc2nc(-c2ccccc2)n1NC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O ZINC000001619968 GB Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)C[C@H]2COS(C)(=O)=O ZINC000001645437 GB Annotated Mild CCCNC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000001712927 GB Annotated Mild O=C1NC(=O)C(C(c2ccc(Cl)cc2)C2C(=O)NC(=O)NC2=O)C(=O)N1 ZINC000001863751 GB Annotated Anodyne C[C@@H](O)/C=C/[C@]12O[C@@]1(C)C[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CC2(C)C ZINC000015169269 GB Annotated Anodyne in-man C[C@H](O)/C=C/[C@]12O[C@@]1(C)C[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CC2(C)C ZINC000015169271 GB Annotated Anodyne in-man C/N=c1\c(N)c(/N=C2\NC(=N)N=C2Cc2ccc3c(c2)OCO3)n(C)c(=O)n1C ZINC000154316792 GB Annotated Mild Nc1nonc1-n1nnc(C(=O)NN/C=C2\C=CC=CC2=O)c1CN1CCCC1 ZINC000015880013 GB Annotated Reactive Cc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C)C(=O)N(CCO)CC(=O)N23)o1 ZINC000015941161 GB Annotated Anodyne CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](/C=C/c1ccccc1)N1C(=O)CN(CCO)C(=O)[C@@]21C ZINC000015941191 GB Annotated Anodyne CCOC(=O)c1ccc(NS(=O)(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000015952739 GB Annotated Anodyne Cc1nc2c(cc1C(=O)NN/C=C1/C=CC(=O)C(O)=C1)c(=O)n(C)c(=O)n2C ZINC000015974010 GB Annotated Reactive O=C[C@H](O)[C@H](O)[C@H](O)COc1cc(CO)cc2c1C(=O)c1ccccc1C2=O ZINC000016892223 GB Annotated Mild O=C[C@H](O)[C@@H](O)[C@H](O)COc1cc(CO)cc2c1C(=O)c1ccccc1C2=O ZINC000016892227 GB Annotated Mild O=c1c2ccccc2nc(-c2ccccc2)n1NC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O ZINC000016953313 GB Annotated Anodyne CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OC3CC3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000168447016 GB Annotated Mild CN[C@H](C[C@H](O)C1=C(C(=O)O)N2C(=O)[C@H]([C@H](C)O)[C@@H]2[C@@H]1C)S[C@@H]1CCNC1 ZINC000169292256 GB Annotated Anodyne in-man CN[C@H](C[C@@H](O)C1=C(C(=O)O)N2C(=O)[C@H]([C@H](C)O)[C@@H]2[C@@H]1C)S[C@@H]1CCNC1 ZINC000169292257 GB Annotated Anodyne in-man N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@@H]1/N=C/NNC(=O)c1ccncc1 ZINC000169301794 GB Annotated Reactive O=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCN(CCN2CCOCC2)CC1 ZINC000169304965 GB Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@H]1N1CCN(CCN2CCOCC2)CC1 ZINC000169304966 GB Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CCCO)[C@@H]1[C@@H]2[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(CCCO)C(=O)[C@@H]21 ZINC000169306083 GB Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4[C@H]3[C@@H]3C(=O)N(CCCO)C(=O)[C@@H]34)[C@H]2C(=O)N1CCCO ZINC000169306085 GB Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@@H]4[C@@H]5C(=O)N(CCCO)C(=O)[C@@H]5[C@@H]34)[C@H]2C(=O)N1CCCO ZINC000169306086 GB Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4[C@H]3[C@H]3C(=O)N(CCCO)C(=O)[C@H]43)[C@H]2C(=O)N1CCCO ZINC000169306087 GB Annotated Anodyne CCOP(=O)(C[C@@H](O)[C@H](CO)O[C@H](CO)n1ccc(=O)[nH]c1=O)OCC ZINC000169308937 GB Annotated Anodyne CCOP(=O)(C[C@@H](O)[C@H](CO)O[C@H](CO)n1ccc(N)nc1=O)OCC ZINC000169308941 GB Annotated Anodyne Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NC[C@@H](O)CO)cc3)nc12 ZINC000169310142 GB Annotated Anodyne Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)NC[C@H](O)CO)cc3)nc12 ZINC000169310143 GB Annotated Anodyne CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OC(C)C)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169310707 GB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC(C)C)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169310709 GB Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OC(C)C)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169310710 GB Annotated Mild C=CCOC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000169311335 GB Annotated Mild C=CCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@@H]3CN21 ZINC000169311338 GB Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OCCC#N)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169311368 GB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCC#N)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169311369 GB Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OCCC#N)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169311372 GB Annotated Mild CC(=O)O[C@H]1[C@H](n2cc(Br)c(=O)[nH]c2=O)OC[C@@]12COC(=O)O2 ZINC000169314595 GB Annotated Anodyne NS(=O)(=O)c1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1Cl ZINC000169315747 GB Annotated Anodyne C[C@@H]1C(S[C@@H]2CN[C@@H](C(=O)N(C)C)C2)=C(C(=O)O)N2C(=O)[C@@H]([C@@H](C)O)[C@H]12 ZINC000169316978 GB Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](C(=O)N(C)C)C3)[C@@H](C)[C@@H]12 ZINC000169316980 GB Annotated Anodyne C[C@@H]1C(S[C@@H]2CN[C@@H](C(=O)N(C)C)C2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]12 ZINC000169316982 GB Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](C(=O)N(C)C)C3)[C@@H](C)[C@@H]12 ZINC000169316985 GB Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4CC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000169323986 GB Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OCC3CC3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169323988 GB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4CC4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169323990 GB Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OCC3CC3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169323993 GB Annotated Mild CN(CC(=O)NC(C)(C)C)C[C@@H](O)Cn1c(=O)c2ccccc2n(C)c1=O ZINC000169329624 GB Annotated Anodyne CN(CC(=O)NC(C)(C)C)C[C@H](O)Cn1c(=O)c2ccccc2n(C)c1=O ZINC000169329626 GB Annotated Anodyne CCN(CC)C(=O)CN(C)C[C@@H](O)Cn1c(=O)c2ccccc2n(C)c1=O ZINC000169330116 GB Annotated Anodyne CCN(CC)C(=O)CN(C)C[C@H](O)Cn1c(=O)c2ccccc2n(C)c1=O ZINC000169330119 GB Annotated Anodyne CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(I)n4[C@@H]3C[C@]21O ZINC000169331830 GB Annotated Anodyne CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4cc(I)cn4[C@@H]3C[C@]21O ZINC000169331835 GB Annotated Anodyne C[C@@H](N)C(=O)N[C@@H]1[C@@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@@H](O)[C@@H]2O ZINC000169334733 GB Annotated Reactive C[C@H](N)C(=O)N[C@@H]1[C@@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@@H](O)[C@@H]2O ZINC000169334737 GB Annotated Reactive C[C@@H](N)C(=O)N[C@H]1[C@@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@@H](O)[C@@H]2O ZINC000169334741 GB Annotated Reactive C[C@H](N)C(=O)N[C@H]1[C@@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@@H](O)[C@@H]2O ZINC000169334743 GB Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(NS(N)(=O)=O)c2)C(=O)OC1=O ZINC000169336549 GB Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(NC(=O)[C@@H](O)CO)c2)C(=O)OC1=O ZINC000169336556 GB Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(NC(=O)[C@H](O)CO)c2)C(=O)OC1=O ZINC000169336558 GB Annotated Reactive COc1cc2c(cc1OC)-c1c(cnn1[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2 ZINC000169337818 GB Annotated Anodyne CCN(CC)CCOC[C@H]1O[C@@H](O)[C@H](OCCN(CC)CC)[C@@H](O)[C@@H]1O ZINC000169341573 GB Annotated Anodyne NC[C@H](O)c1cc(SC[C@@H](N)C(=O)O)c(O)c2c1SC[C@@H](C(=O)O)N2 ZINC000169342191 GB Annotated Anodyne CC1=C[C@@H](O)[C@@H](O)[C@]2(C)[C@@H]3C(=O)[C@H](O)[C@H](C)[C@H]4CC(=O)O[C@@H](C[C@H]12)[C@]34CO ZINC000169351329 GB Annotated Anodyne CC1=C[C@H](O)[C@@H](O)[C@]2(C)[C@@H]3C(=O)[C@H](O)[C@H](C)[C@H]4CC(=O)O[C@@H](C[C@H]12)[C@]34CO ZINC000169351331 GB Annotated Anodyne CC1=C[C@@H](O)[C@H](O)[C@]2(C)[C@@H]3C(=O)[C@H](O)[C@H](C)[C@H]4CC(=O)O[C@@H](C[C@H]12)[C@]34CO ZINC000169351332 GB Annotated Anodyne CC1=C[C@H](O)[C@H](O)[C@]2(C)[C@@H]3C(=O)[C@H](O)[C@H](C)[C@H]4CC(=O)O[C@@H](C[C@H]12)[C@]34CO ZINC000169351333 GB Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC4CC4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169360034 GB Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OC3CC3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169360035 GB Annotated Mild CC(=O)N[C@H](CCCCN)C(=O)N1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCCC(=O)O)C2 ZINC000169366143 GB Annotated Anodyne CC(=O)N[C@H](CCCCN)C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)NCCC(=O)O)C2 ZINC000169366144 GB Annotated Anodyne C[C@@H](/C=C/[C@]1(O)[C@@H](C)C[C@@H](O)CC1(C)C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169367988 GB Annotated Anodyne in-man C[C@H]1C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169367989 GB Annotated Anodyne in-man CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N/CCS)C3=O)N1C[C@H]1N[C@H]12 ZINC000169369022 GB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N/CCS)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169369023 GB Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)/C(=N\CCS)C(C)=C1O)[C@@H]2COC(N)=O ZINC000169369024 GB Annotated Mild CC(=O)N[C@@H](CCCCN)C(=O)N1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCCC(=O)O)C2 ZINC000169371758 GB Annotated Anodyne CCOc1ccc(-n2c(O)c(/C=N/CCN3CCNCC3)c(=O)[nH]c2=O)cc1 ZINC000169687530 GB Annotated Mild O=C(O)CC(=O)OC[C@H]1O[C@H](Oc2c[nH]c3ccccc23)[C@@H](O)C(=O)[C@@H]1O ZINC000169692820 GB Annotated Anodyne O=C1C=Cc2c/c(=C3/C=CCC=N3)c(=O)oc2=C1CN1CCN(CCO)CC1 ZINC000169693279 GB Annotated Mild CC1=C[C@H](O)[C@H](O)[C@]2(C)[C@@H]3C(=O)[C@H](O)[C@H](C)[C@@H]4CC(=O)O[C@@H](C[C@H]12)[C@]43CO ZINC000169693901 GB Annotated Anodyne CC1=C[C@H](O)[C@H](O)[C@]2(C)[C@@H]3C(=O)[C@H](O)[C@H](C)[C@@H]4CC(=O)O[C@@H](C[C@H]12)[C@@]43CO ZINC000169693902 GB Annotated Anodyne CC1=C[C@H](O)[C@H](O)[C@]2(C)[C@@H]3C(=O)[C@H](O)[C@H](C)[C@@H]4CC(=O)O[C@H](C[C@H]12)[C@]43CO ZINC000169693903 GB Annotated Anodyne CC1=C[C@H](O)[C@H](O)[C@]2(C)[C@@H]3C(=O)[C@H](O)[C@H](C)[C@@H]4CC(=O)O[C@H](C[C@H]12)[C@@]43CO ZINC000169693904 GB Annotated Anodyne CC1(C)[C@@H]([C@@H]2CC(=O)c3ccccc3O2)C(=O)C(=O)[C@@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]21 ZINC000169721200 GB Annotated Clean CC1(C)[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@H]2C(=O)C(=O)[C@H]1[C@@H]1CC(=O)c2ccccc2O1 ZINC000169721201 GB Annotated Clean CC1(C)[C@@H]([C@H]2CC(=O)c3ccccc3O2)C(=O)C(=O)[C@@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]21 ZINC000169721202 GB Annotated Clean CC1(C)[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@H]2C(=O)C(=O)[C@H]1[C@H]1CC(=O)c2ccccc2O1 ZINC000169721203 GB Annotated Clean N=C(N)NC[C@H](OC(=O)c1cccnc1)c1ccc(B2OC[C@@H](CO)O2)cc1 ZINC000169748491 GB Annotated Mild in-vivo CO[C@@H]1[C@@H](O)[C@@H](n2ncc3c(SC)nc(SC)nc32)O[C@@H]1[C@@H](O)CO ZINC000017187312 GB Annotated Anodyne CO[C@H]1[C@@H](O)[C@@H](n2ncc3c(SC)nc(SC)nc32)O[C@@H]1[C@@H](O)CO ZINC000017187314 GB Annotated Anodyne CO[C@@H]1[C@H](O)[C@@H](n2ncc3c(SC)nc(SC)nc32)O[C@@H]1[C@@H](O)CO ZINC000017187316 GB Annotated Anodyne CO[C@H]1[C@H](O)[C@@H](n2ncc3c(SC)nc(SC)nc32)O[C@@H]1[C@@H](O)CO ZINC000017187319 GB Annotated Anodyne CCN(C[C@@H](COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])OC(C)=O)C(C)=O ZINC000017189605 GB Annotated Anodyne O=c1c2ccccc2nc(-c2ccccc2)n1NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O ZINC000017194042 GB Annotated Anodyne CO[C@@H]1O[C@H](COC(=O)NCCCCC(=O)C(F)(F)F)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000017252395 GB Annotated Anodyne CO[C@H]1O[C@H](COC(=O)NCCCCC(=O)C(F)(F)F)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000017252401 GB Annotated Anodyne CC1=C[C@H](O)[C@H](O)[C@@]2(C)[C@H]1C[C@@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)C(=O)[C@H]2[C@]13CO ZINC000017353610 GB Annotated Anodyne CC1=C[C@H](O)[C@H](O)[C@@]2(C)[C@H]1C[C@@H]1OC(=O)C[C@H]3[C@H](C)[C@@H](O)C(=O)[C@H]2[C@]13CO ZINC000017353611 GB Annotated Anodyne CC1=C[C@H](O)[C@H](O)[C@@]2(C)[C@H]1C[C@@H]1OC(=O)C[C@H]3[C@@H](C)[C@H](O)C(=O)[C@H]2[C@]13CO ZINC000017353612 GB Annotated Anodyne C=CCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@H]3CN21 ZINC000195040564 GB Annotated Mild C=CCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21 ZINC000195040578 GB Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@@H]4C)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000195062312 GB Annotated Mild C[C@@H](N)C(=O)N[C@@H]1[C@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@H](O)[C@@H]2O ZINC000195349489 GB Annotated Reactive C[C@H](N)C(=O)N[C@@H]1[C@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@H](O)[C@@H]2O ZINC000195349496 GB Annotated Reactive C[C@@H](N)C(=O)N[C@H]1[C@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@H](O)[C@@H]2O ZINC000195349503 GB Annotated Reactive C[C@H](N)C(=O)N[C@H]1[C@H]2C(=C(O)O[C@@]1(C)C(Cl)Cl)C(=O)C[C@H](O)[C@@H]2O ZINC000195349509 GB Annotated Reactive NC[C@H](O)c1cc(SC[C@@H](N)C(=O)O)c(O)c2c1SC[C@H](C(=O)O)N2 ZINC000195412906 GB Annotated Anodyne CC1=C[C@H](O)[C@H](O)[C@@]2(C)[C@H]1C[C@@H]1OC(=O)C[C@H]3[C@H](C)[C@H](O)C(=O)[C@H]2[C@]13CO ZINC000195421082 GB Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)N1CCCO)[C@H]1[C@H]2C(=O)N(CCCO)C(=O)[C@@H]2[C@H]31 ZINC000195425168 GB Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CCCO)[C@@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(CCCO)C(=O)[C@@H]3[C@H]12 ZINC000195425176 GB Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CCCO)[C@H]1[C@H]2C(=O)N(CCCO)C(=O)[C@@H]2[C@H]31 ZINC000195425183 GB Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CCCO)[C@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(CCCO)C(=O)[C@@H]3[C@H]12 ZINC000195425192 GB Annotated Anodyne O=C[C@H](O)[C@H](O)[C@@H](O)COc1cc(CO)cc2c1C(=O)c1ccccc1C2=O ZINC000195492806 GB Annotated Mild O=C[C@H](O)[C@@H](O)[C@@H](O)COc1cc(CO)cc2c1C(=O)c1ccccc1C2=O ZINC000195492811 GB Annotated Mild CCNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@@H](N3C)[C@@]12OC ZINC000195495540 GB Annotated Mild CCNC(=O)OC[C@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@@H](N3C)[C@@]12OC ZINC000195495543 GB Annotated Mild [B]C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H]1c2ccsc2C(=O)[C@@H]1O ZINC000195514233 GB Annotated Anodyne [B]C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H]1c2ccsc2C(=O)[C@@H]1O ZINC000195514235 GB Annotated Anodyne [B]C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]1c2ccsc2C(=O)[C@@H]1O ZINC000195514236 GB Annotated Anodyne [B]C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@@H]1c2ccsc2C(=O)[C@@H]1O ZINC000195514237 GB Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C\C(=O)N[C@H](CO)C[S@@](=O)Cc1ccccc1 ZINC000195778731 GB Annotated Anodyne C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@]1(O)CO[C@](O)(CO)C[C@@H]12 ZINC000196048736 GB Annotated Mild CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000196256518 GB Annotated Mild CC(=O)N[C@@H]1[C@H]2[C@H](Cl)CCN2C[C@H]1OC(=O)N(C)[C@@H]1[C@H]2[C@@H]3CCN2C[C@H]1O3 ZINC000198554262 GB Annotated Reactive C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000198884467 GB Annotated Anodyne COCCN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)NCc1ccccc1 ZINC000199237700 GB Annotated Anodyne COCCN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NCc1ccccc1 ZINC000199237713 GB Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@H]1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000199242354 GB Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000199242376 GB Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@H]1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000199242389 GB Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000199242403 GB Annotated Anodyne C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@H]1/C=C/[C@@H](O)CO ZINC000199820970 GB Annotated Anodyne C[C@H](/C=C/[C@]12O[C@H](CC1(C)C)C[C@]2(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000199821013 GB Annotated Anodyne CC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000201475044 GB Annotated Anodyne CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCN1CCN(C)CC1 ZINC000020531847 GB Annotated Anodyne CCn1c(=O)n2n(c1=O)[C@H]1C[N+](Cc3ccc4c(c3)OCO4)=C(N)NC1=C(C)C2 ZINC000205717766 GB Annotated Anodyne CN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cnc2N)CC1 ZINC000206172729 GB Annotated Mild CC1=C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)C(C)(C)[C@@H]1/C=C/[C@@H](C)O ZINC000206854974 GB Annotated Anodyne O=C(O)C1=N[C@H](C(=O)O)CC(/C=C\N2C3=CC(=O)C(=O)C=C3C[C@H]2C(=O)O)=C1 ZINC000214787196 GB Annotated Anodyne in-vitro CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@H](O)CO3)C1=O ZINC000219445614 GB Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@](C)(O)CO)cc1-2 ZINC000219504303 GB Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@@](C)(O)CO)cc1-2 ZINC000219504376 GB Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@H](O)CO3)C1=O ZINC000219517379 GB Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(CO)c2CCO3)C1=O ZINC000220011216 GB Annotated Mild CC1(COC(=O)[C@@H]2CC[C@H]3CN2C(=O)N3OS(=O)(=O)O)CCNCC1 ZINC000220097504 GB Annotated Mild O=C(OCCC1CCNCC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000220100301 GB Annotated Mild C=CCNC(=O)CN(CC(=O)O)[C@@H]1CCCC[C@@H]1N(CC(=O)O)CC(=O)O ZINC000022860210 GB Annotated Mild C=CCNC(=O)CN(CC(=O)O)[C@H]1CCCC[C@@H]1N(CC(=O)O)CC(=O)O ZINC000022860212 GB Annotated Mild C=CCNC(=O)CN(CC(=O)O)[C@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O ZINC000023478263 GB Annotated Mild C=CCNC(=O)CN(CC(=O)O)[C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O ZINC000023478265 GB Annotated Mild C[C@@H](O)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CC2(C)C ZINC000230071179 GB Annotated Anodyne in-man C[C@H](O)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)CC2(C)C ZINC000230071184 GB Annotated Anodyne in-man C=C1[C@@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088016 GB Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088028 GB Annotated Mild in-man C=C1[C@@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088030 GB Annotated Mild in-man C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088035 GB Annotated Mild in-man C[C@@H](/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230092539 GB Annotated Anodyne in-man C[C@H](/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230092543 GB Annotated Anodyne in-man C=CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230093023 GB Annotated Mild in-man C=CCCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230093031 GB Annotated Mild in-man C=C1[C@@H](O)[C@@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230093136 GB Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230093139 GB Annotated Mild in-man C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230093141 GB Annotated Mild in-man C=C1[C@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230093143 GB Annotated Mild in-man CC1=C[C@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230104851 GB Annotated Anodyne in-man CC1=C[C@H](O)CC(C)(C)[C@]1(O)CC[C@@H](C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230104858 GB Annotated Anodyne in-man CCC(CC)/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238730653 GB Annotated Mild C=C(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(C)=O)C[C@@H](O)/C=C(\C)C=O ZINC000238730716 GB Annotated Reactive CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000238731280 GB Annotated Mild O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12 ZINC000238731442 GB Annotated Clean C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]12CCC[C@](C)(CO)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238731863 GB Annotated Mild CO[C@@H]1[C@@H]2OC(=O)[C@@H]([C@]2(O)C(C)C)[C@]2(O)[C@H]3O[C@H]3[C@]3(CC(=O)[C@H](C)O3)[C@]12C ZINC000238732236 GB Annotated Anodyne C[C@@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@@]1(C)O)[C@@]23O ZINC000238733457 GB Annotated Bother CC/C=C/C[C@@H]1[C@@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CC[C@@H]1CC(=O)O ZINC000238733805 GB Annotated Anodyne CC(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]23O[C@H]2C[C@](C)(O)[C@]3(O)[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238733997 GB Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCC[C@](C)(CO)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238734271 GB Annotated Mild CCC(CC)/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238734420 GB Annotated Mild CC(C)CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238734938 GB Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C(C)=C1C(=O)C=C(C)[C@@H]12 ZINC000238735336 GB Annotated Mild CC1=C[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H](C)C(=O)[C@@H]2[C@@](C)(O)C12CC2 ZINC000238736071 GB Annotated Anodyne CC(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)[C@@H]([C@H]3OC(=O)[C@@H](C)[C@H]13)[C@](C)(O)[C@H]1O[C@H]12 ZINC000238736625 GB Annotated Anodyne CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3CO)c2o1 ZINC000238736657 GB Annotated Anodyne O=C1C[C@@H](O)[C@H](O)[C@@]23O[C@@]12C1(Oc2cccc4cccc(c24)O1)[C@@H]1O[C@@H]1[C@@H]3O ZINC000238736660 GB Annotated Anodyne C[C@@H](CC[C@@H]1[C@@H](CO)C[C@H](O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238736805 GB Annotated Anodyne C/C=C/C#CC#C[C@@H](O)[C@@H](/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](C)[C@H](O)[C@H]1O ZINC000238736899 GB Annotated Mild C[C@H]1CC(=O)C[C@](O)(C2=C(O)C=N[C@@]3(O2)C(=O)C[C@H](C)C[C@@]3(O)CO)[C@@H]1O ZINC000238737293 GB Annotated Anodyne CCCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000238737323 GB Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@](C)(O)[C@@H](O)[C@@H]4OC[C@]13[C@H]42 ZINC000238737522 GB Annotated Mild CC(=O)OC[C@]1(OC(C)=O)O[C@@H](C(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O ZINC000238738139 GB Annotated Anodyne CC1=C(/C=C/[C@@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O ZINC000238738384 GB Annotated Anodyne C[C@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@]1(C)O)[C@]23O ZINC000238738700 GB Annotated Bother COc1cc(O)c2c(c1)[C@@H](O)[C@@]1(O)C[C@](C)(O)[C@@H]3OC(=O)O[C@H]3[C@]1(O)C2=O ZINC000238739318 GB Annotated Anodyne CCC[C@H]1CN[C@H](NC(=O)[C@@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)C1 ZINC000238740098 GB Annotated Anodyne C[C@](O)(CO)[C@H]1OC(=O)C=C2[C@@]3(C)C[C@@H]4O[C@@H]4[C@]4(C)C(=O)O[C@H]([C@H]5O[C@@]251)[C@H]34 ZINC000238741551 GB Annotated Anodyne C[C@@H]1O[C@]12C[C@@H](C)[C@@](C)(O)C(=O)OCC1=CC[N+]3(C)CC[C@@H](OC2=O)[C@@]13O ZINC000238742598 GB Annotated Bother CC1=C(N)C(=O)c2c(Cn3cnc4nc(N)[nH]c(=O)c43)c3n(c2C1=O)C[C@H](N)C3 ZINC000238743490 GB Annotated Mild C[C@H](CC[C@@H]1[C@@H](CO)C[C@H](O)CC1(C)C)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238743863 GB Annotated Anodyne COC1=C(C)C(=O)C2=C(C1=O)[C@@H]1CO[C@@H]3[C@@H]4C[C@H]5[C@@H](N4)[C@H]([C@@H]2N2CCO[C@H]52)N13 ZINC000238743890 GB Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)C(C)C ZINC000238743972 GB Annotated Anodyne C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000238744089 GB Annotated Anodyne C[C@@H](/C=C/[C@]1(O)[C@H](C)C[C@H](O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238745314 GB Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@@](C)(CO)CC[C@@H]2O ZINC000238745750 GB Annotated Mild C[C@H](O)/C=C/[C@@]12O[C@]1(C)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C ZINC000238746289 GB Annotated Anodyne COC(=O)/C=C(\C(=O)O)[C@H]1c2c(cc(O)c(O)c2O)C(=O)O[C@@H]1C(=O)OC ZINC000238746306 GB Annotated Clean C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(=C/C)CO)[C@H](O)[C@]1(CO1)[C@@H]1[C@H](O)C=C(C)[C@@H]12 ZINC000238747021 GB Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CO)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238747341 GB Annotated Mild COC[C@H]1O[C@@H](O[C@H]2OC=C(C(=O)OC)[C@@H]3CC[C@H](C)[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238747848 GB Annotated Anodyne C[C@@H](/C=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(C)C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238747906 GB Annotated Anodyne CC(=O)OC1[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238747939 GB Annotated Anodyne C[C@H](O)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238748058 GB Annotated Anodyne C=C(C(=O)OC)[C@@H]1[C@@H](OC(=O)[C@H](C)CO)C[C@]2(C)[C@H](C(=O)CC[C@H]2O)[C@H]1O ZINC000238748388 GB Annotated Mild CC(C)=C(C#N)C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)C(C#N)=C(C)C ZINC000238748642 GB Annotated Reactive C=C(CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1OC(C)=O)C[C@@H](O)/C=C(\C)C=O ZINC000238748691 GB Annotated Reactive C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@H](OC(=O)/C(C)=C\C)C(C)=C1[C@H](O)[C@H]3O[C@@]3(C)[C@@]12O ZINC000238749261 GB Annotated Mild COC(=O)[C@@]1(O)C=C(C)C2=CC(=O)[C@@]34CO[C@]5(C)[C@@H](OC(=O)[C@@H]53)[C@H](O)[C@@H]4[C@@]21C ZINC000238749337 GB Annotated Mild C[C@@H](/C=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238749846 GB Annotated Anodyne COC(=O)/C=C(/C(=O)OC)[C@H]1c2c(O)c(O)cc(O)c2C(=O)O[C@@H]1C(=O)OC ZINC000238749935 GB Annotated Clean COC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC)[C@H](COC(C)=O)N(C)C(C)=O ZINC000238751498 GB Annotated Anodyne C[C@H](O)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000238751560 GB Annotated Anodyne Cc1cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2oc(C[C@H](C)O)cc(=O)c12 ZINC000238753657 GB Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238753679 GB Annotated Anodyne C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238753815 GB Annotated Anodyne C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238754029 GB Annotated Mild CC1=C(/C=C/[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H](O)C(=O)C1 ZINC000238754326 GB Annotated Anodyne CC1=CC(=O)C2=C(C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 ZINC000238754535 GB Annotated Mild CC1=C[C@]2(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@H](C)C(=O)[C@H]2[C@](C)(O)C12CC2 ZINC000238755629 GB Annotated Anodyne Cc1cc(O)c([C@H]2O[C@H](O)[C@H](O)[C@H](O)[C@@H]2CO)c2oc(C[C@H](C)O)cc(=O)c12 ZINC000238755679 GB Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(=O)[C@H](C)CC ZINC000238756380 GB Annotated Anodyne CC1=C[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H](C)C(=O)[C@@H]2[C@](C)(O)C12CC2 ZINC000238756923 GB Annotated Anodyne C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238756945 GB Annotated Mild CC(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23O[C@@H]2[C@H](O)[C@@](C)(O)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238757207 GB Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@@H](O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12 ZINC000238757220 GB Annotated Mild C/C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000238759115 GB Annotated Mild C=C(CO)C(=O)O[C@H]1C[C@]2(C)[C@H](C(=O)CC[C@H]2O)[C@@H](O)[C@@H]1C(=C)C(=O)OC ZINC000238759252 GB Annotated Mild C[C@H](O)CC[C@@H]1[C@@H](CO)C[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C ZINC000238760484 GB Annotated Anodyne C[C@@H](CC[C@@]1(O)[C@H](C)C[C@H](O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238760858 GB Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@]12[C@@H](O)O[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@H]2O ZINC000238761510 GB Annotated Mild C=C1[C@@H]2CC(=O)O[C@@H]3[C@H](O)[C@H]4C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@@H]4[C@]23CO[C@@]4(O)[C@@H]1O ZINC000238762290 GB Annotated Mild CC(=O)O[C@@H]1[C@@H](C(C)=O)O[C@@](CO)(OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238764276 GB Annotated Anodyne CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@H]3O[C@H]([C@H](O)CO)[C@H](O)[C@H]3O)c2o1 ZINC000238764488 GB Annotated Anodyne C/C=C1/C[C@H](CO)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000238764848 GB Annotated Mild C[C@H](O)/C=C\[C@@]12O[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C ZINC000238765093 GB Annotated Anodyne Cc1cc2c(c(C)c1[C@@H](O)CO)C(=O)[C@H](C)[C@H]2O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000238765166 GB Annotated Anodyne CC/C=C\C[C@@H]1[C@@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CC[C@@H]1CC(=O)O ZINC000238765302 GB Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(COO)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238765407 GB Annotated Reactive C/C=C\C#CC#CC[C@H](/C=C\CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238765878 GB Annotated Mild C/C=C/C#CC#CC[C@H](/C=C\CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238765896 GB Annotated Mild C/C=C\C#CC#CC[C@H](/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238765911 GB Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000238766241 GB Annotated Mild CC1=C[C@]2(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@H](C)C(=O)[C@@H]2[C@@](C)(O)C12CC2 ZINC000238766418 GB Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1C(=O)[C@@]3(O)O[C@H]2O ZINC000238767553 GB Annotated Mild C[C@@H](O)/C=C\[C@@]12O[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C ZINC000238767997 GB Annotated Anodyne CO[C@H]1O[C@@H](O[C@H]2c3c(cc(C)c(CCO)c3C)[C@H](O)[C@H]2C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238771548 GB Annotated Anodyne COC1=C(C)C(=O)C2=C(C1=O)[C@@H]1CO[C@H]3[C@@H]4C[C@H]5[C@@H](N4)[C@H]([C@H]2N2CCO[C@H]52)N31 ZINC000238772253 GB Annotated Mild CC(C)CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238772686 GB Annotated Mild C[C@@H](O)/C=C/[C@]12O[C@@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C ZINC000238773339 GB Annotated Anodyne C=C1[C@H](O)[C@@]23C(=O)[C@H](O)[C@H]4C(C)(C)CC[C@@H](O)[C@@]45C(=O)O[C@@H](C[C@H]1[C@@H]2O)[C@@H]35 ZINC000238773580 GB Annotated Mild C[C@@H](O)CC[C@@H]1[C@@H](CO)C[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C ZINC000238773602 GB Annotated Anodyne COC1=CC(=O)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238774837 GB Annotated Mild C[C@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O ZINC000238774921 GB Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(CO)CC[C@H]2O ZINC000238775870 GB Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)C[C@H]3[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O ZINC000238778386 GB Annotated Mild CC1=C[C@@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H](C)C(=O)[C@@H]2[C@@](C)(O)C12CC2 ZINC000238778417 GB Annotated Anodyne CC1=C(/C=C/[C@@H](C)O)C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O ZINC000238780697 GB Annotated Anodyne C[C@@H]1CC[C@@]2(O1)C(C)(C)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[C@@]2(C)O ZINC000238780731 GB Annotated Anodyne COc1cc(O)c2c(c1)[C@@H](O)[C@H](C[C@H](O)[C@H](O)[C@@H](O)/C=C\C[C@H](C)O)OC2=O ZINC000238780842 GB Annotated Anodyne COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]2O)[C@H]2[C@@H](C)CC[C@@H]12 ZINC000238781029 GB Annotated Anodyne CC1=C(/C=C\[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O ZINC000238781417 GB Annotated Anodyne CC1=CC(=O)[C@]2(O)O[C@@]3(O)[C@H]4[C@]5(CO)[C@@H](CC(=O)O[C@@H]5C=C1[C@@]42C)[C@@H](C)[C@H]3O ZINC000238781703 GB Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@]31CO ZINC000238782319 GB Annotated Mild C[C@@H]1O[C@]12C[C@@H](C)[C@](C)(O)C(=O)OCC1=CC[N+]3(C)CC[C@@H](OC2=O)[C@]13O ZINC000238782730 GB Annotated Bother C[C@H]1[C@@H](OS(=O)(=O)O)C[C@@H]2C[C@H](CC3=NC(O)=NC(=O)C3)N=C3NC[C@H]1N32 ZINC000238782848 GB Annotated Anodyne Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(=O)[C@H](C(N)=O)C(=O)[C@H](N)[C@@H]1C2 ZINC000238782899 GB Annotated Anodyne CC1(C)CC[C@H](O)[C@]23CO[C@](O)([C@@H](O)[C@H]12)[C@]12C(=O)[C@@H](CO)[C@H](CC[C@@H]31)[C@H]2O ZINC000238783252 GB Annotated Anodyne C[C@@H]1[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC(=O)[C@@]1(O)CO)[C@@H]23 ZINC000238783459 GB Annotated Bother C[C@H](N)C(=O)N[C@@H]1[C@H]2C(=C(O)C[C@@H](O)[C@@H]2O)C(=O)O[C@@]1(C)C(Cl)Cl ZINC000238783806 GB Annotated Reactive C[C@@H]1OC=C2C(=O)[C@@H]3O[C@@H]3C(=O)[C@@]23[C@H]2O[C@H](C)[C@H](C4=C2C(=O)[C@@H]2O[C@@H]2C4=O)[C@@H]13 ZINC000238784292 GB Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@]31CO ZINC000238784413 GB Annotated Mild CC(=O)Nc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238784679 GB Annotated Bother CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@H](O)[C@H]3[C@]23CO[C@@H](O)[C@H]13)[C@@](O)(CO)C4=O ZINC000238785132 GB Annotated Anodyne C[C@H](/C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238785951 GB Annotated Anodyne C[C@@H](O)/C=C\[C@]12O[C@@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C ZINC000238786069 GB Annotated Anodyne C[C@H](O)CC[C@H]1[C@H](CO)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C ZINC000238786304 GB Annotated Anodyne O=C1Oc2c(O)cccc2[C@@]2(O)C[C@@H]1[C@]1(O)C(=O)c3cccc(O)c3C(=O)[C@@]21O ZINC000238786436 GB Annotated Clean COC(=O)/C=C(/C(=O)O)[C@H]1c2c(cc(O)c(O)c2O)C(=O)O[C@@H]1C(=O)OC ZINC000238787912 GB Annotated Clean C[C@@H](O)CC[C@H]1[C@H](CO)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C ZINC000238788167 GB Annotated Anodyne CSc1c(C(=O)NCC(=O)O)sc2nc3c(nc12)c(=O)n(C)c(=O)n3C ZINC000238788853 GB Annotated Anodyne C[C@@H]1O[C@H]2C3=C4C(=CO[C@H](O)[C@@]45[C@@H](O)[C@@H]1C1=CCOC(=O)[C@]12[C@@H]5C)C(=O)OC3 ZINC000238788915 GB Annotated Anodyne O=C(CP(=O)(O)O)Nc1cc(NC(=O)CP(=O)(O)O)cc(C(=O)O)c1 ZINC000024799743 GB Annotated Anodyne COCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000002964809 GB Annotated Anodyne N[C@@H]1[C@H](OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)O[C@H](O)[C@H](O)[C@@H]1O ZINC000253633128 GB Annotated Clean N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@H]1OCc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000253633131 GB Annotated Clean N[C@H]1[C@H](O)[C@H](O)[C@@H](O)O[C@H]1OCc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000253633132 GB Annotated Clean N[C@@H]1[C@H](OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)O[C@H](O)[C@@H](O)[C@@H]1O ZINC000253633134 GB Annotated Clean CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000253633769 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253633772 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000253633773 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000253633776 GB Annotated Reactive CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCC#N)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253634140 GB Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCC#N)C3=O)N1C[C@H]1N[C@H]12 ZINC000253634142 GB Annotated Mild CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000253634990 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253634994 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000253634996 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253634998 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000253635001 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000253635003 GB Annotated Reactive CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4CC4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253636126 GB Annotated Mild CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000253699381 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253699384 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000253699388 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)c2cccnc2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253703356 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)c2cccnc2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000253703357 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)c2cccnc2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000253703358 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000253710755 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCC[C@H](C)N2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253710764 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253710774 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000253710781 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCC[C@H](C)N2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000253710788 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCC[C@H](C)N2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000253710794 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCC[C@H](C)N2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000253710800 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000253710809 GB Annotated Reactive CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N/CCS)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000253712333 GB Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N/CCS)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253712338 GB Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N/CCS)C3=O)N1C[C@H]1N[C@H]12 ZINC000253712342 GB Annotated Mild CC(=O)N[C@@H](CCCCN)C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)NCCC(=O)O)C2 ZINC000253749709 GB Annotated Anodyne CC(=O)N[C@@H](CCCCN)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)NCCC(=O)O)C2 ZINC000253749719 GB Annotated Anodyne CN1CCNC[C@@H]1N(C(=O)COC(=O)c1ccccc1)[C@H]1CNCCN1C ZINC000253850909 GB Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC4CC4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253852779 GB Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC4CC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000253852786 GB Annotated Mild CO[C@H]1O[C@@H](COC(=O)NCCCCC(=O)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O ZINC000254079926 GB Annotated Anodyne CO[C@@H]1O[C@@H](COC(=O)NCCCCC(=O)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O ZINC000254079927 GB Annotated Anodyne CN[C@H](C[C@H](O)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H]1C)S[C@H]1CCNC1 ZINC000254086095 GB Annotated Anodyne CN[C@H](C[C@H](O)C1=C(C(=O)O)N2C(=O)[C@H]([C@H](C)O)[C@@H]2[C@@H]1C)S[C@H]1CCNC1 ZINC000254086099 GB Annotated Anodyne 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CS[C@H]1O[C@@H]([C@@H](NC(=O)[C@@H]2CCCCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026293994 GB Annotated Reactive CS[C@@H]1O[C@H]([C@@H](NC(=O)[C@@H]2CCCCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026293998 GB Annotated Reactive CS[C@H]1O[C@H]([C@@H](NC(=O)[C@@H]2CCCCN2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026294002 GB Annotated Reactive CS[C@@H]1O[C@@H]([C@@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026296109 GB Annotated Reactive CS[C@H]1O[C@@H]([C@@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026296115 GB Annotated Reactive CS[C@@H]1O[C@H]([C@@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026296120 GB Annotated Reactive CS[C@H]1O[C@H]([C@@H](NC(=O)[C@H]2CCC[C@@H](C)N2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026296124 GB Annotated Reactive CS[C@@H]1O[C@@H]([C@@H](NC(=O)[C@@H]2CCC[C@H](C)N2)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026375572 GB Annotated 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CS[C@H]1O[C@@H]([C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026375824 GB Annotated Reactive CS[C@@H]1O[C@H]([C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026375826 GB Annotated Reactive CS[C@H]1O[C@H]([C@@H](NC(=O)[C@H]2CCCCN2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026375828 GB Annotated Reactive CS[C@@H]1O[C@@H]([C@@H](NC(=O)[C@@H]2NCCC[C@@H]2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026376884 GB Annotated Reactive CS[C@H]1O[C@@H]([C@@H](NC(=O)[C@@H]2NCCC[C@@H]2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026376886 GB Annotated Reactive CS[C@@H]1O[C@H]([C@@H](NC(=O)[C@@H]2NCCC[C@@H]2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026376888 GB Annotated Reactive CS[C@H]1O[C@H]([C@@H](NC(=O)[C@@H]2NCCC[C@@H]2C)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026376890 GB Annotated Reactive CCCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@H]3CN21 ZINC000261136765 GB Annotated Mild 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ZINC000027886122 GB Annotated Reactive CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3NC(=O)[C@@H](N)CCCCN ZINC000028109715 GB Annotated Mild N[C@H]1C[C@@H](N)CN(c2nc(Nc3ccccc3)nc(N3C[C@@H](N)C[C@@H](N)C3)n2)C1 ZINC000028604514 GB Annotated Anodyne CO/N=C(\CN)[C@@H]1C[C@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)CN1 ZINC000028709431 GB Annotated Mild C#CCN/C(=N/S(=O)(=O)c1cc(C)c(Cl)cc1SCC(N)=O)NN ZINC000028712903 GB Annotated Mild CCCNC(=O)[C@H](Cn1cnc2c(Cl)nc(N)nc21)NS(C)(=O)=O ZINC000028713622 GB Annotated Anodyne CC(=O)Nc1nc(=O)n([C@@H]2CSC(CO)(CO)O2)cc1Br ZINC000028771759 GB Annotated Anodyne CC(=O)Nc1nc(=O)n([C@H]2CSC(CO)(CO)O2)cc1Br ZINC000028771762 GB Annotated Anodyne CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(C)=O)cs1 ZINC000028816944 GB Annotated Reactive CCC[C@H]1CN[C@@H]1C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O ZINC000029048515 GB Annotated Reactive CCC[C@H](NS(=O)(=O)CN1C(=O)[C@H](CCC)N(C)S1(=O)=O)C(=O)OC ZINC000029133122 GB Annotated Anodyne CCC[C@H](NS(=O)(=O)CN1C(=O)[C@@H](CCC)N(C)S1(=O)=O)C(=O)OC ZINC000029133124 GB Annotated Anodyne O=NN(CCCl)C(=O)NCC[C@H](OCCO)n1cc(F)c(=O)[nH]c1=O ZINC000029210149 GB Annotated Reactive O=NN(CCCl)C(=O)NCC[C@@H](OCCO)n1cc(F)c(=O)[nH]c1=O ZINC000029210154 GB Annotated Reactive O=NN(CCCl)C(=O)NCCO[C@H](CCO)n1cc(F)c(=O)[nH]c1=O ZINC000029210187 GB Annotated Reactive O=NN(CCCl)C(=O)NCCO[C@@H](CCO)n1cc(F)c(=O)[nH]c1=O ZINC000029210191 GB Annotated Reactive CCNc1ccc(/C=C(\C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1O ZINC000029329585 GB Annotated Anodyne CCOc1ccc(/C=C(\C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1O ZINC000029330327 GB Annotated Anodyne C#C[C@H](CC(=O)O)NC(=O)c1cc2n(n1)CCN(CCC1CCNCC1)C2=O ZINC000029330621 GB Annotated Mild N[C@H]1[C@@H](OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)O[C@H](O)[C@H](O)[C@@H]1O ZINC000029412563 GB Annotated Clean N[C@@H]1[C@@H](OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)O[C@H](O)[C@H](O)[C@@H]1O ZINC000029412566 GB Annotated Clean N[C@H]1[C@@H](OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)O[C@H](O)[C@H](O)[C@H]1O ZINC000029412569 GB Annotated Clean N[C@@H]1[C@@H](OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)O[C@H](O)[C@H](O)[C@H]1O ZINC000029412571 GB Annotated Clean COC(=O)[C@H]1O[C@H](CN)[C@H]1SC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C ZINC000029477968 GB Annotated Anodyne COC(=O)[C@H]1O[C@H](CO)[C@H]1SC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C ZINC000029477983 GB Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(OC3CN(C(=O)CO)C3)c(F)c2)C(=O)O1 ZINC000029483647 GB Annotated Anodyne Cc1c(C)n2c(CN(C)C[C@@H](O)Cn3ccnc3[N+](=O)[O-])c(C)c(=O)n2c1=O ZINC000029554530 GB Annotated Bother Cc1c(C)n2c(CN(C)C[C@H](O)Cn3ccnc3[N+](=O)[O-])c(C)c(=O)n2c1=O ZINC000029554534 GB Annotated Bother O=C(O)C[C@@H](CO)NC(=O)CN1CCc2ccc(N3CCNCC3)cc2C1=O ZINC000029560026 GB Annotated Anodyne Cc1c(C)n2c(CNC[C@@H](O)Cn3ccnc3[N+](=O)[O-])c(C)c(=O)n2c1=O ZINC000029561796 GB Annotated Bother Cc1c(C)n2c(CNC[C@H](O)Cn3ccnc3[N+](=O)[O-])c(C)c(=O)n2c1=O ZINC000029561800 GB Annotated Bother CC1=C(/N=C/N(C)C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H](N)[C@@H]3O ZINC000029566331 GB Annotated Mild CC1=C(/N=C/N(C)C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H](N)[C@@H]3O ZINC000029566335 GB Annotated Mild CC(=O)OCC(COC(C)=O)O[C@@H](COC(C)=O)n1cnc2c(=O)[nH]cnc21 ZINC000029566796 GB Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)CCCn1cnc([N+](=O)[O-])n1 ZINC000029567509 GB Annotated Bother CCCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@H]3N[C@H]3CN21 ZINC000029589881 GB Annotated Mild CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCNC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000299804549 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCNC2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000299804550 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCNC2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299804551 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCNC2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299804552 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCNC2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000299804553 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCNC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000299804554 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299804600 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000299804601 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000299804602 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2NCCC[C@@H]2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000299804603 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000299804718 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000299804719 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299804720 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299804721 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000299804722 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000299804723 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccncc2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299809157 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccncc2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000299809158 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccncc2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000299809159 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299810120 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000299810121 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000299810122 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccccn2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299810222 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccccn2)[C@H](C)Cl)[C@H](O)[C@@H](O)[C@H]1O ZINC000299810223 GB Annotated Reactive CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccccn2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000299810224 GB Annotated Reactive COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O ZINC000299814386 GB Annotated Reactive [B]C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@@H]1c2ccsc2C(=O)[C@H]1O ZINC000299816756 GB Annotated Anodyne [B]C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H]1c2ccsc2C(=O)[C@H]1O ZINC000299816757 GB Annotated Anodyne CS[C@H]1O[C@H]([C@H](NC(=O)C2CCNCC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000299818145 GB Annotated Reactive CS[C@H]1O[C@H]([C@H](NC(=O)C2CCNCC2)[C@@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000299818147 GB Annotated Reactive Cc1ccccc1[C@H](Cc1ccco1)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299827191 GB Annotated Anodyne O=C(N/N=C/c1cc(O)c(O)c(O)c1)C(=O)N/N=C/c1cc(O)c(O)c(O)c1 ZINC000299829200 GB Annotated Reactive CC1=CC(=O)O[C@H]1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@@]3(O)[C@H](C)C(=O)C(O)=C1[C@@]23CO ZINC000299831666 GB Annotated Mild CC1=CC(=O)O[C@H]1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)C(=O)C(O)=C1[C@@]23CO ZINC000299831673 GB Annotated Mild O[C@H]1[C@H](O)[C@]23O[C@]2([C@H](O)CC[C@@H]3O)C2(Oc3cccc4cccc(c34)O2)[C@@H]1O ZINC000299832428 GB Annotated Anodyne CC1=CC(=O)O[C@H]1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@H]1[C@@]23C ZINC000299833008 GB Annotated Anodyne C=C1C(=O)C(O)=C2[C@@](C)([C@@H]3OC(=O)C=C3C)C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23CO ZINC000299834291 GB Annotated Mild O=C1CC[C@@H](O)[C@@]23O[C@@]12C1(Oc2cccc4cccc(c24)O1)[C@H](O)[C@@H](O)[C@@H]3O ZINC000299835700 GB Annotated Anodyne O[C@H]1[C@H](O)[C@]23O[C@]2([C@H](O)C=C[C@@H]3O)C2(Oc3cccc4cccc(c34)O2)[C@@H]1O ZINC000299837086 GB Annotated Anodyne O=C1C[C@H](O)[C@H](O)C2=C[C@H](O)[C@@H](O)C3(Oc4cccc5cccc(c45)O3)[C@]12O ZINC000299837436 GB Annotated Anodyne O=C1C=C[C@H](O)[C@@]23O[C@@]12C1(Oc2cccc4cccc(c24)O1)[C@H](O)[C@@H](O)[C@@H]3O ZINC000299838551 GB Annotated Mild CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1[C@H](O)[C@]1(O)C4=C(CC[C@@]13C)C(=O)OC4)C2=O ZINC000299841434 GB Annotated Anodyne N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@H]1/N=C/NNC(=O)c1ccncc1 ZINC000299848002 GB Annotated Reactive O=C(NO)OCCOCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000299852925 GB Annotated Anodyne O=C(O)[C@H]1O[C@@H](Oc2ccc([C@H]3CN4CCSC4=N3)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299853689 GB Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)O)[C@@H](O)[C@H]3O)cc1 ZINC000299869844 GB Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2[C@@H]3CC[C@@H]([C@@H](O)[C@H]3O)[C@H]2C(=O)O)cc1 ZINC000299869845 GB Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)O)[C@@H](O)[C@H]3O)cc1 ZINC000299869846 GB Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@H]2[C@@H]3CC[C@@H]([C@@H](O)[C@H]3O)[C@H]2C(=O)O)cc1 ZINC000299869847 GB Annotated Anodyne O=C(O)[C@@H]1CSCN1c1nc2nonc2nc1N1CSC[C@H]1C(=O)O ZINC000299876374 GB Annotated Anodyne CCC(=O)N1C2C3N(C(=O)CC)[C@@H]4N[C@@H]1[C@H](N[C@@H]4N3C(=O)CC)N2C(=O)CC ZINC000299880381 GB Annotated Anodyne CO[C@]12[C@H](COC(=O)NCCO)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@H]1N[C@H]12 ZINC000299881657 GB Annotated Mild CO[C@]12[C@H](COC(=O)NCCO)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@@H]1N[C@H]12 ZINC000299881658 GB Annotated Mild CO[C@]12[C@H](COC(=O)NCCO)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000299881659 GB Annotated Mild CO[C@]12[C@H](COC(=O)NCCO)C3=C(C(O)=C(C)C(=N)C3=O)N1C[C@H]1N[C@@H]12 ZINC000299881660 GB Annotated Mild C[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000003435967 GB Annotated Anodyne CNCC[C@@H](O)[C@H]1C[C@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)CN1 ZINC000030690446 GB Annotated Anodyne in-man Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N)[C@H]1C2 ZINC000030726166 GB Annotated Mild Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N)[C@@H]1C2 ZINC000030726170 GB Annotated Mild in-vitro C=C(C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CC[C@H](C=O)[C@H]2[C@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO ZINC000031157276 GB Annotated Mild C=C(C(=O)O[C@H]1C[C@]2(C)[C@H]([C@@H](C=O)CC[C@H]2O)[C@H]2OC(=O)C(=C)[C@H]12)[C@@H](O)CO ZINC000031157281 GB Annotated Mild C=C(C(=O)O[C@H]1C[C@]2(C)[C@H]([C@@H](C=O)CC[C@H]2O)[C@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO ZINC000031157286 GB Annotated Mild in-vitro biogenic CCN(C[C@@H](COc1ccc2c(c1)[n+](=O)nc(N)n2O)OC(C)=O)C(C)=O ZINC000031819480 GB Annotated Anodyne CCN(C[C@H](COc1ccc2c(c1)[n+](=O)nc(N)n2O)OC(C)=O)C(C)=O ZINC000031819485 GB Annotated Anodyne O=[N+]([O-])c1cc2ccc(N(CCO)CCO)nc2nc1N(CCO)CCO ZINC000031872137 GB Annotated Bother Nc1nc(=O)c2c([nH]1)N[C@@H]1O[C@H](COP(=O)(O)O)C(=S)C(=S)[C@@H]1N2 ZINC000031976568 GB Annotated Clean C[C@H](/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000032296576 GB Annotated Anodyne in-vitro biogenic Cc1cc(C)n2nc(C(=O)OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nc2n1 ZINC000032941827 GB Annotated Anodyne Cc1cc(C)n2nc(C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)nc2n1 ZINC000032941829 GB Annotated Anodyne Cc1c(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)nnn1-c1nonc1N ZINC000033629387 GB Annotated Reactive C[C@@H](O)CC[C@@H]1[C@@H](CO)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C ZINC000033832455 GB Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@@]45C(=O)O[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000033940858 GB Annotated Mild in-vitro biogenic C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000034071989 GB Annotated Anodyne in-man C[C@H](O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C ZINC000034097332 GB Annotated Anodyne in-vitro biogenic C[C@H](O)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000034097448 GB Annotated Anodyne in-vitro biogenic CC1=C(/C=C/[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@H](O)C1=O ZINC000034575552 GB Annotated Mild in-vitro biogenic O=c1[nH]c(O)c(C(c2ccc(Cl)cc2)c2c(O)[nH]c(=O)[nH]c2=O)c(=O)[nH]1 ZINC000034603025 GB Annotated Anodyne C=C(C(=O)O[C@H]1C[C@]2(C)[C@H]([C@H](C=O)CC[C@H]2O)[C@H]2OC(=O)C(=C)[C@H]12)[C@@H](O)CO ZINC000034635731 GB Annotated Mild CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(NCCO)cc2c1=O ZINC000034641374 GB Annotated Anodyne Cc1cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2oc(C[C@@H](C)O)cc(=O)c12 ZINC000034654542 GB Annotated Anodyne O=C(O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)[C@@H](O)[C@H](O)C[C@H]34)[C@@H]2C1)c1ccc[nH]1 ZINC000034773581 GB Annotated Anodyne C=CCCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000034943218 GB Annotated Mild in-man C=CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000034943221 GB Annotated Mild in-man CNCC[C@@H](O)[C@@H]1C[C@H](SC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)CN1 ZINC000003792388 GB Annotated Anodyne in-man O=c1[nH]c2c(n3cc(P(=O)(O)O)nc13)Cc1c(Cc3nn[nH]n3)cccc1-2 ZINC000003937074 GB Annotated Anodyne Cc1ncc(Cn2cc(CCO[P@@](=O)(O)OP(=O)(O)O)nn2)c(N)n1 ZINC000035299600 GB Annotated Anodyne C=C(C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CC[C@@H](C=O)[C@H]2[C@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO ZINC000035455431 GB Annotated Mild C=C(C(=O)O[C@H]1C[C@]2(C)[C@H]([C@H](C=O)CC[C@H]2O)[C@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO ZINC000035455434 GB Annotated Mild O=C(O)CC(=O)OC[C@H]1O[C@@H]2[C@H](OC(=O)N2c2ccccc2O)[C@@H](O)[C@@H]1O ZINC000035942786 GB Annotated Anodyne COc1ccc(CO[C@@H]2[C@@H](OCCNCCCN)[C@H](O)[C@H](N)C[C@H]2N)cc1 ZINC000036176758 GB Annotated Anodyne COc1ccc(CO[C@H]2[C@@H](N)C[C@@H](N)[C@@H](O)[C@@H]2OCCNCCCN)cc1 ZINC000036176762 GB Annotated Anodyne COc1ccc(CO[C@H]2[C@H](N)C[C@@H](N)[C@@H](O)[C@H]2OCCNCCCN)cc1 ZINC000036176766 GB Annotated Anodyne COc1ccc(CO[C@H]2[C@@H](N)C[C@@H](N)[C@@H](O)[C@H]2OCCNCCCN)cc1 ZINC000036176769 GB Annotated Anodyne C[C@H](/C=C/[C@@]1(O)[C@H](C)C[C@H](O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000036383809 GB Annotated Anodyne CC[C@H](C)[C@H](N)c1cn([C@@H](CCCN=C(N)N)C(=O)N2CCNCC2)nn1 ZINC000036386746 GB Annotated Mild CC[C@H](C)[C@@H](N)c1cn([C@@H](CCCN=C(N)N)C(=O)N2CCNCC2)nn1 ZINC000036386747 GB Annotated Mild CC[C@H](C)[C@H](N)c1cn([C@H](CCCN=C(N)N)C(=O)N2CCNCC2)nn1 ZINC000036386748 GB Annotated Mild CC[C@H](C)[C@@H](N)c1cn([C@H](CCCN=C(N)N)C(=O)N2CCNCC2)nn1 ZINC000036386749 GB Annotated Mild COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1Cc1c(F)cccc1Cl ZINC000036387172 GB Annotated Anodyne CC1=C[C@H]2O[C@H]3[C@@H](O)[C@@H](O)[C@](C)([C@]34CO4)[C@]2(CO)C[C@@H]1OC(=O)CC(C)(C)O ZINC000036400815 GB Annotated Anodyne in-man CC1=C[C@@H]2O[C@H]3[C@@H](O)[C@@H](O)[C@@](C)([C@]2(CO)C[C@@H]1OC(=O)CC(C)(C)O)[C@]31CO1 ZINC000036400816 GB Annotated Anodyne in-man CC1=C[C@H]2O[C@H]3[C@@H](O)[C@@H](O)[C@](C)([C@]34CO4)[C@@]2(CO)C[C@@H]1OC(=O)CC(C)(C)O ZINC000036400817 GB Annotated Anodyne in-man CC1=C[C@@H]2O[C@H]3[C@@H](O)[C@@H](O)[C@](C)([C@]34CO4)[C@@]2(CO)C[C@@H]1OC(=O)CC(C)(C)O ZINC000036400818 GB Annotated Anodyne in-man N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(C(=O)N2CCOCC2)CC1 ZINC000036414287 GB Annotated Mild C[C@H](O)/C=C/[C@@]1(O)[C@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C ZINC000036417726 GB Annotated Anodyne in-vitro biogenic NC(=O)/C=C\C1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)[C@H]2S(=O)(=O)C1 ZINC000036774198 GB Annotated Anodyne COC1=C(CC(C)C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C ZINC000038150116 GB Annotated Mild C[C@@H]1[C@@H]2[C@@H](O)C(=O)O[C@@H]3C[C@@]4(C)C(=C(O[C@@]5(C)CC(=O)O[C@H]54)[C@@H]1O)[C@]23CO ZINC000038261315 GB Annotated Anodyne C[C@@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038321715 GB Annotated Anodyne in-vitro biogenic C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)CCC[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038321937 GB Annotated Anodyne in-vitro biogenic COC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H](n2cc(CC(N)=O)c3c(OC)cccc32)O1 ZINC000038544939 GB Annotated Anodyne CN(CCN(C)c1cc(=O)n(C)c(=O)n1C)C[C@H](O)COc1ccccc1 ZINC000038623207 GB Annotated Anodyne CCCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038792115 GB Annotated Mild in-vitro CC[C@@H](C)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038792116 GB Annotated Mild in-vitro CC[C@H](C)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038792117 GB Annotated Mild in-vitro COc1cccc2c1N[C@]13CC[C@]45[C@@H](O)CCN6[C@@H]7O[C@H]4[C@@]1(N)C(=O)[C@@H]7[C@]23[C@@H]65 ZINC000038988197 GB Annotated Anodyne C[C@]1(O)CC(=O)[C@@]2(O)[C@](O)(CC[C@H]3C(=O)c4c(O)cccc4C(=O)[C@]32O)C1 ZINC000039060077 GB Annotated Clean NC[C@@H](O)c1cc(SC[C@H](N)C(=O)O)c(O)c2c1SC[C@@H](C(=O)O)N2 ZINC000039061427 GB Annotated Anodyne NC[C@H](O)c1cc(SC[C@H](N)C(=O)O)c(O)c2c1SC[C@@H](C(=O)O)N2 ZINC000039061429 GB Annotated Anodyne C[C@@H](O)CC[C@@H]1[C@@]2(C)CO[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2 ZINC000039162189 GB Annotated Anodyne O=C(O)C1=C/C(=C/C=N/[C@@H](CC2=CC(=O)C(=O)C=C2)C(=O)O)C[C@H](C(=O)O)N1 ZINC000040165533 GB Annotated Mild in-man endogenous O=C(O)C1=C/C(=C/C=N/[C@@H](CC2=CC(=O)C(=O)C=C2)C(=O)O)C[C@@H](C(=O)O)N1 ZINC000040165534 GB Annotated Mild in-man endogenous CC(=O)Oc1c2c(cc3c1C(=O)N[C@@H]1C3=C[C@H](OC(C)=O)[C@@H](O)[C@H]1O)OCO2 ZINC000040392832 GB Annotated Anodyne C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000040394373 GB Annotated Mild CC1=CC(=O)O[C@H]1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@@]32[C@@H]14 ZINC000040394719 GB Annotated Anodyne in-vitro biogenic CC1=CC(=O)O[C@@H]1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@@]32[C@@H]14 ZINC000040410517 GB Annotated Anodyne in-vitro biogenic CN(C)CCC(=O)OCc1ccc2c(n1)C(=O)C1=C(C2=O)S(=O)(=O)CCN1 ZINC000040420941 GB Annotated Mild CC(=O)Nc1ccc(S(=O)(=O)N(CCO)Cn2cc(C)c(=O)[nH]c2=O)cc1 ZINC000040423561 GB Annotated Anodyne C=C1C[C@H](OC(=O)[C@@]2(C)CO2)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CO ZINC000040423945 GB Annotated Mild NC[C@@H](O)c1cc(SC[C@@H](N)C(=O)O)c(O)c2c1SC[C@@H](C(=O)O)N2 ZINC000040440299 GB Annotated Anodyne CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040442161 GB Annotated Anodyne CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040442314 GB Annotated Anodyne CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCNC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040447372 GB Annotated Anodyne CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCNC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040447396 GB Annotated Anodyne CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040447542 GB Annotated Anodyne CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCCN2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040447551 GB Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040465912 GB Annotated Bother Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040465915 GB Annotated Bother Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040465917 GB Annotated Bother CS[C@@H]1O[C@H]([C@H](NC(=O)[C@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040684845 GB Annotated Anodyne CS[C@@H]1O[C@H]([C@H](NC(=O)c2cccnc2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040685339 GB Annotated Unstable C=CCn1c(=O)n([C@@H]2CN(CCCC)C[C@H](CO)O2)c2nc(N)[nH]c(=O)c21 ZINC000040709745 GB Annotated Anodyne C=CCn1c(=O)n([C@@H]2CN(CCCC)C[C@@H](CO)O2)c2nc(N)[nH]c(=O)c21 ZINC000040709746 GB Annotated Mild CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccccn2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040810804 GB Annotated Unstable CS[C@@H]1O[C@H]([C@H](NC(=O)c2ccncc2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040818014 GB Annotated Unstable CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2CCCCN2C)[C@H](C)Cl)[C@H](O)[C@H](O)[C@@H]1O ZINC000040818043 GB Annotated Anodyne C[C@@H]1C/C(=C\CO)C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@]1(C)O)C2=O ZINC000040892881 GB Annotated Mild O=P(O)(O)O[C@@H](CNS(=O)(=O)c1ccc(F)cc1)CN1CCOCC1 ZINC000040900992 GB Annotated Anodyne O=P(O)(O)O[C@H](CNS(=O)(=O)c1ccc(F)cc1)CN1CCOCC1 ZINC000040900995 GB Annotated Anodyne CC(C)C(=O)O[C@H]1C=C2c3cc4c(c(O)c3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4 ZINC000040914628 GB Annotated Anodyne O=C1O[C@H]([C@H](O)CO)C(OCCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])=C1O ZINC000040953494 GB Annotated Anodyne O=C1O[C@@H]([C@H](O)CO)C(OCCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])=C1O ZINC000040953496 GB Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)C(OCCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])=C1O ZINC000040953498 GB Annotated Anodyne O=C1O[C@@H]([C@@H](O)CO)C(OCCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])=C1O ZINC000040953500 GB Annotated Anodyne O=C1O[C@H]([C@H](O)CO)C(OCCCOc2no[n+]([O-])c2-c2ccccc2)=C1O ZINC000040954555 GB Annotated Anodyne O=C1O[C@@H]([C@H](O)CO)C(OCCCOc2no[n+]([O-])c2-c2ccccc2)=C1O ZINC000040954557 GB Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)C(OCCCOc2no[n+]([O-])c2-c2ccccc2)=C1O ZINC000040954559 GB Annotated Anodyne O=C1O[C@@H]([C@@H](O)CO)C(OCCCOc2no[n+]([O-])c2-c2ccccc2)=C1O ZINC000040954561 GB Annotated Anodyne CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)C[C@@H]1OC(=O)CC(C)(C)O ZINC000042878412 GB Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCC#N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000044324014 GB Annotated Mild CC1(C)[C@@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@]3(C[C@@]4(C)O)[C@H](O)[C@@H](O)[C@@]21O ZINC000044352257 GB Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H]2COS(C)(=O)=O ZINC000004612972 GB Annotated Mild CC[C@H](C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O ZINC000045284437 GB Annotated Anodyne CC1(C)N=C(N)N=C(NOCCCCCCONC2=NC(N)=NC(C)(C)N2)N1 ZINC000045302864 GB Annotated Anodyne NC(=O)C[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)O ZINC000045339662 GB Annotated Anodyne NC(=O)CC[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)O ZINC000045354304 GB Annotated Anodyne Cn1c(=O)c2c(ncn2CCOCCOCCOCCN=[N+]=[N-])n(C)c1=O ZINC000045372166 GB Annotated Clean C=C1C[C@H](OC(=O)[C@](C)(O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]21CO1 ZINC000045495307 GB Annotated Mild Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCC[C@H]4N)[nH]c23)c(C(N)=O)n1 ZINC000473107766 GB Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@H]4CCC[C@H]4N)[nH]c23)c(C(N)=O)n1 ZINC000473107767 GB Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@H]4CCC[C@@H]4N)[nH]c23)c(C(N)=O)n1 ZINC000473107768 GB Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCC[C@@H]4N)[nH]c23)c(C(N)=O)n1 ZINC000473107769 GB Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@H]4CCCC[C@H]4N)[nH]c23)c(C(N)=O)n1 ZINC000473109546 GB Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]c23)c(C(N)=O)n1 ZINC000473109549 GB Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@H]4CCCC[C@@H]4N)[nH]c23)c(C(N)=O)n1 ZINC000473109552 GB Annotated Anodyne O=C1C=CC(=C(O)OC[C@H]2O[C@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)C=C1 ZINC000473123207 GB Annotated Mild CC(=O)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000473132712 GB Annotated Mild NCCCCNC(=O)CCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000473133714 GB Annotated Bother O=C(CCNC(=O)c1nc[nH]n1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000473134094 GB Annotated Bother CN=c1[nH]c2c(cc(-c3nnnn3C3CC3)n2C[C@H](O)CO)c2c1ncn2C ZINC000473135023 GB Annotated Anodyne CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CN[C@H](CCN)c1ccccc1 ZINC000473136160 GB Annotated Reactive CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CN[C@@H](CCN)c1ccccc1 ZINC000473136162 GB Annotated Reactive CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C(C)=C(NCCS)C3=O)N1C[C@H]1N[C@H]12 ZINC000473234853 GB Annotated Mild O=C(Nc1nc(=O)n([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H]2O)cc1F)Oc1ccccc1 ZINC000049016215 GB Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@@]3(O)[C@@H](C)[C@H](O)[C@H](O)[C@H]2[C@@]13C ZINC000049021111 GB Annotated Mild C=C1[C@@H]2C[C@@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2C[C@H](O)C(C)(C)[C@H]4[C@H](O)OC(=O)[C@@]243)[C@@H]1O ZINC000049032865 GB 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](CCO)[C@H](O)C[C@@H]1O2 ZINC000049048329 GB Annotated Anodyne COc1cc(O)c2c(c1)[C@@H]([C@H](O)C[C@H](O)[C@H](O)[C@@H](O)/C=C/C[C@H](C)O)OC2=O ZINC000049070529 GB Annotated Anodyne COc1cc(O)c2c(c1)[C@@H]([C@H](O)C[C@H](O)[C@H](O)[C@H](O)/C=C/C[C@H](C)O)OC2=O ZINC000049070702 GB Annotated Anodyne COc1cc(O)c2c(c1)[C@@H](O)[C@H](C[C@H](O)[C@H](O)[C@@H](O)/C=C/C[C@H](C)O)OC2=O ZINC000049089478 GB Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCCC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000049589484 GB Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCCC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000049589485 GB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CC=CC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000049695131 GB Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CC=CC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000049695132 GB Annotated Mild CC(=O)c1sc2nc(S[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)n(N)c(=O)c2c1C ZINC000049784289 GB Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2O[C@H](O)[C@@H]4[C@@](C)(CO)CC[C@H](O)[C@]324)[C@@H]1O ZINC000049785220 GB Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@@H]2O[C@H](O)[C@@H]4[C@@](C)(CO)CC[C@H](O)[C@@]234)[C@@H]1O ZINC000049785221 GB Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@@]13C ZINC000049792516 GB Annotated Mild NS(=O)(=O)c1cnccc1NNC1=NS(=O)(=O)c2cnccc2S1 ZINC000049808255 GB Annotated Anodyne Cn1c(/N=C2\NC(=N)N=C2Cc2ccc3c(c2)OCO3)c(N)c(=O)n(C)c1=O ZINC000049942430 GB Annotated Mild CCCNC(=O)CCNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000005028887 GB Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CO)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000005157432 GB Annotated Mild Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)C[S@](=O)Cc1ccccc1 ZINC000005352745 GB Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@H](CO)C[S@](=O)Cc1ccccc1 ZINC000005352753 GB Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O ZINC000005440252 GB Annotated Mild in-vitro CC(=O)OC[C@]12[C@H](O)[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000005497707 GB Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N/C=[N+](C)C)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000053150632 GB Annotated Mild NC[C@@H](O)c1cc(SC[C@H](N)C(=O)O)c(O)c2c1SC[C@H](C(=O)O)N2 ZINC000053271584 GB Annotated Anodyne NC[C@@H](O)c1cc(SC[C@@H](N)C(=O)O)c(O)c2c1SC[C@H](C(=O)O)N2 ZINC000053271587 GB Annotated Anodyne O=P(O)(O)OC[C@H]1O[C@H](O)C[C@@H]1O[P@](=O)(O)OC[C@@H]1CC[C@@H](O)O1 ZINC000535385430 GB Annotated Anodyne COc1nc2ncc([C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)nc2c(=O)[nH]1 ZINC000005543862 GB Annotated Anodyne Cc1cc(NC[C@H](O)[C@H](O)[C@H](O)CO)c(Sc2cc(=O)[nH]c(=O)[nH]2)cc1C ZINC000005581149 GB Annotated Anodyne O=C(NCCCn1ccnc1[N+](=O)[O-])C(=O)NCCCn1ccnc1[N+](=O)[O-] ZINC000005723932 GB Annotated Bother C[C@H](N)C(=O)N[C@@H]1[C@H]2C(=C(O)O[C@]1(C)C(Cl)Cl)C(=O)C[C@@H](O)[C@@H]2O ZINC000005734702 GB Annotated Reactive CC1=C[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H](C)C(=O)[C@@H]2[C@](C)(O)C12CC2 ZINC000005735973 GB Annotated Anodyne in-vitro CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000005767563 GB Annotated Mild CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000005767566 GB Annotated Mild C#C[C@]1(CO)O[C@@H](n2cc(I)c(N)nc2=O)C[C@@H]1O ZINC000005828066 GB Annotated Mild Cc1ncc([N+](=O)[O-])n1CCNS(=O)(=O)CCCn1ncnc1[N+](=O)[O-] ZINC000005848551 GB Annotated Bother COc1cc(N2C=C3C(=O)N=c4nc(N)nc(N)c4=C3CC2)cc(OC)c1OC ZINC000005853397 GB Annotated Anodyne CC(=O)O[C@@H](COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])CN1CCCCC1 ZINC000005886574 GB Annotated Anodyne CO[C@H]1O[C@@H](COC(=O)NCCCCC(=O)C(F)(F)F)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000005956294 GB Annotated Anodyne CO[C@@H]1O[C@@H](COC(=O)NCCCCC(=O)C(F)(F)F)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000005956296 GB Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@H]4C)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000055652088 GB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@@H]4C)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000055652089 GB Annotated Mild CC[C@@H](C)C/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000056874490 GB Annotated Mild in-vitro CC[C@H](C)C/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000056874493 GB Annotated Mild in-vitro CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N/C=[N+](C)C)C3=O)N1C[C@H]1N[C@H]12 ZINC000058482359 GB Annotated Anodyne COCCO[C@@H]1[C@H](O)[C@@H](/C=C/P(=O)(O)O)O[C@H]1n1cc(C)c(O)nc1=O ZINC000584904744 GB Annotated Anodyne C=C1CS[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC)c2csc(N)n2)N=C1C(=O)O ZINC000584905533 GB Annotated Mild C=C1CS[C@H]([C@H](C=O)NC(=O)/C(=N\OC)c2csc(N)n2)N=C1C(=O)O ZINC000584905534 GB Annotated Mild C=C1CS[C@@H]([C@H](C=O)NC(=O)/C(=N\OC)c2csc(N)n2)N=C1C(=O)O ZINC000584905535 GB Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@H]4C)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000058538080 GB Annotated Anodyne NC[C@H](O)c1cc(SC[C@H](N)C(=O)O)c(O)c2c1SC[C@H](C(=O)O)N2 ZINC000058540731 GB Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)C(OCCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])=C1O ZINC000058549860 GB Annotated Anodyne CCCCCc1cn([C@@H]2O[C@@H]3CO[PH](O)(O)O[C@H]3[C@H]2O)c(=O)nc1N ZINC000058554568 GB Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC(C)C)C3=O)N1C[C@H]1N[C@H]12 ZINC000058563478 GB Annotated Mild C=CCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000058563594 GB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCC#N)C3=O)N1C[C@H]1N[C@H]12 ZINC000058563615 GB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC4CC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000058618031 GB Annotated Mild C[C@@H](O)[C@@H](C=O)[C@@H]1N=C(C(=O)O)[C@@H](S[C@@H]2CN[C@H](C(=O)N(C)C)C2)[C@@H]1C ZINC000058655603 GB Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4CC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000058666033 GB Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586890790 GB Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586890814 GB Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586919554 GB Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586920535 GB Annotated Anodyne N=c1[nH]c2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc-2c(Cl)[nH]1 ZINC000586936140 GB Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000586936217 GB Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000586936240 GB Annotated Anodyne N#Cc1nc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2nc1C#N ZINC000586937153 GB Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586938928 GB Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586938932 GB Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586939034 GB Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586939039 GB Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cnnc(O)c3[nH]2)cc1 ZINC000586939612 GB Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586940029 GB Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c(O)ncnc3[nH]2)cc1 ZINC000586940120 GB Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c(N)ncnc3[nH]2)cc1 ZINC000586940297 GB Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccnc(N)c3[nH]2)cc1 ZINC000586940443 GB Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(N)ncc3[nH]2)cc1 ZINC000586940516 GB Annotated Mild Nc1nc(O)c2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2n1 ZINC000586941237 GB Annotated Anodyne Nc1nc(O)c2nc(-c3nc(O)nc(O)c3I)[nH]c2n1 ZINC000587183413 GB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)O ZINC000587217325 GB Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)O ZINC000587217327 GB Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)O ZINC000587217329 GB Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)O ZINC000587217332 GB Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)O ZINC000587217462 GB Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)O ZINC000587217466 GB Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)O ZINC000587217470 GB Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)O ZINC000587217472 GB Annotated Bother COC(=O)c1ccnc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 ZINC000587218002 GB Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 ZINC000587218003 GB Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 ZINC000587218004 GB Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 ZINC000587218005 GB Annotated Anodyne N=c1[nH]c2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc-2c(Cl)[nH]1 ZINC000587218099 GB Annotated Anodyne N=c1[nH]c2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc-2c(Cl)[nH]1 ZINC000587218101 GB Annotated Anodyne N=c1[nH]c2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc-2c(Cl)[nH]1 ZINC000587218103 GB Annotated Anodyne N=c1[nH]c2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc-2c(Cl)[nH]1 ZINC000587218105 GB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)C(=O)O ZINC000587218239 GB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)C(=O)O ZINC000587218242 GB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)C(=O)O ZINC000587218243 GB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)C(=O)O ZINC000587218245 GB Annotated Anodyne N#Cc1cc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2cc1C#N ZINC000587218798 GB Annotated Mild N#Cc1cc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2cc1C#N ZINC000587218800 GB Annotated Mild N#Cc1cc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2cc1C#N ZINC000587218802 GB Annotated Mild N#Cc1cc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2cc1C#N ZINC000587218804 GB Annotated Mild N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587218901 GB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587218908 GB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587218912 GB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587218914 GB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)O ZINC000587219246 GB Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)O ZINC000587219252 GB Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)O ZINC000587219253 GB Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)O ZINC000587219255 GB Annotated Bother COC(=O)c1ccnc2[nH]c(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc12 ZINC000587219701 GB Annotated Anodyne COC(=O)c1ccnc2[nH]c(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)nc12 ZINC000587219702 GB Annotated Anodyne COC(=O)c1ccnc2[nH]c(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)nc12 ZINC000587219703 GB Annotated Anodyne COC(=O)c1ccnc2[nH]c(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc12 ZINC000587219704 GB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(C(=O)O)c(F)cc2[nH]1)C(=O)O ZINC000587219748 GB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(C(=O)O)c(F)cc2[nH]1)C(=O)O ZINC000587219749 GB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(C(=O)O)c(F)cc2[nH]1)C(=O)O ZINC000587219750 GB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(C(=O)O)c(F)cc2[nH]1)C(=O)O ZINC000587219752 GB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc3c(cc2[nH]1)OCCO3)C(=O)O ZINC000587220490 GB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc3c(cc2[nH]1)OCCO3)C(=O)O ZINC000587220492 GB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc3c(cc2[nH]1)OCCO3)C(=O)O ZINC000587220494 GB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc3c(cc2[nH]1)OCCO3)C(=O)O ZINC000587220497 GB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)O ZINC000587220589 GB Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)O ZINC000587220591 GB Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)O ZINC000587220592 GB Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)O ZINC000587220593 GB Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587221895 GB Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587221900 GB Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587221901 GB Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587221902 GB Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587222256 GB Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587222258 GB Annotated Bother N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587222259 GB Annotated Bother N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587222260 GB Annotated Bother COC(=O)c1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2n1 ZINC000587222378 GB Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2n1 ZINC000587222380 GB Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2n1 ZINC000587222381 GB Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2n1 ZINC000587222384 GB Annotated Anodyne N#Cc1nc(Cl)cc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c12 ZINC000587222707 GB Annotated Mild N#Cc1nc(Cl)cc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c12 ZINC000587222708 GB Annotated Mild N#Cc1nc(Cl)cc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c12 ZINC000587222711 GB Annotated Mild N#Cc1nc(Cl)cc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c12 ZINC000587222713 GB Annotated Mild COC(=O)c1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cn1 ZINC000587223452 GB Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cn1 ZINC000587223454 GB Annotated Anodyne COC(=O)c1cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cn1 ZINC000587223455 GB Annotated Anodyne COC(=O)c1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cn1 ZINC000587223456 GB Annotated Anodyne NC(=O)c1cccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587223960 GB Annotated Anodyne NC(=O)c1cccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587223962 GB Annotated Anodyne NC(=O)c1cccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587223964 GB Annotated Anodyne NC(=O)c1cccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587223966 GB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587225422 GB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587225432 GB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587225435 GB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587225436 GB Annotated Anodyne Nc1ncc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(O)n1 ZINC000587253932 GB Annotated Anodyne O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587272221 GB Annotated Bother Nc1nc(O)c2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000587274129 GB Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]1)O2 ZINC000587397600 GB Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]1)O2 ZINC000587397601 GB Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]1)[C@@H](C2)C3=O ZINC000587437497 GB Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ncc([C@@H](O)[C@H](O)[C@H](O)CO)[nH]1)[C@@H](C2)C3=O ZINC000587437500 GB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](NC(C)=O)[C@@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587469089 GB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587469090 GB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](NC(C)=O)[C@@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587469091 GB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587469092 GB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OC)([C@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587484044 GB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OC)([C@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587484048 GB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OC)([C@H](O)[C@H](O)[C@@H](O)CO)CC2=O ZINC000587484050 GB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OC)([C@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587484052 GB Annotated Anodyne CC(=O)N[C@@H]([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587510907 GB Annotated Anodyne CC(=O)N[C@@H]([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587510984 GB Annotated Anodyne CC(=O)N[C@@H]([C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587510985 GB Annotated Anodyne CC(=O)N[C@@H]([C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587510986 GB Annotated Anodyne COC(=O)[C@]1([C@H](O)[C@H](O)[C@@H](O)CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527594 GB Annotated Anodyne COC(=O)[C@]1([C@H](O)[C@H](O)[C@H](O)CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527598 GB Annotated Anodyne COC(=O)[C@]1([C@H](O)[C@@H](O)[C@H](O)CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527599 GB Annotated Anodyne COC(=O)[C@]1([C@H](O)[C@@H](O)[C@@H](O)CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527600 GB Annotated Anodyne O=C1[C@H](O)C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@@H]1O ZINC000587607023 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](O)C(=O)[C@@H](O)C2=O ZINC000587607024 GB Annotated Anodyne O=C1[C@H](O)C(=O)C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@H]1O ZINC000587607025 GB Annotated Anodyne O=C1[C@H](O)C(=O)C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)[C@H]1O ZINC000587607026 GB Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587607151 GB Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587607156 GB Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587607158 GB Annotated Anodyne O=C1O[C@H]([C@@H](O)CO)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587607160 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)O[C@H]([C@@H](O)CO)C2=O ZINC000587608065 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)O[C@H]([C@@H](O)CO)C2=O ZINC000587608067 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)O[C@H]([C@@H](O)CO)C2=O ZINC000587608068 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)O[C@H]([C@@H](O)CO)C2=O ZINC000587608069 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608258 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608259 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608260 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587608261 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587608262 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608263 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608264 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587608265 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587608266 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587608267 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608268 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608269 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608270 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608271 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608272 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587608273 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608274 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587608275 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608277 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587608278 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)O[C@H]([C@H](O)CO)[C@@H]2O ZINC000587608327 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)O[C@H]([C@H](O)CO)[C@@H]2O ZINC000587608333 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)O[C@H]([C@@H](O)CO)[C@H]2O ZINC000587608335 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)O[C@H]([C@@H](O)CO)[C@@H]2O ZINC000587608337 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)O[C@H]([C@H](O)CO)[C@H]2O ZINC000587608339 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)O[C@H]([C@@H](O)CO)[C@@H]2O ZINC000587608341 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)O[C@H]([C@@H](O)CO)[C@H]2O ZINC000587608343 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)O[C@H]([C@H](O)CO)[C@H]2O ZINC000587608345 GB Annotated Anodyne O=C[C@@]1([C@@H](O)[C@H](O)[C@H](O)CO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609300 GB Annotated Mild O=C[C@@]1([C@@H](O)[C@H](O)[C@H](O)CO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609312 GB Annotated Mild O=C[C@]1([C@@H](O)[C@H](O)[C@H](O)CO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609313 GB Annotated Mild O=C[C@]1([C@@H](O)[C@H](O)[C@H](O)CO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609314 GB Annotated Mild O=C1O[C@H]([C@@H](O)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](O)[C@@H]1O ZINC000587610888 GB Annotated Anodyne O=C1O[C@H]([C@@H](O)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](O)[C@@H]1O ZINC000587610892 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O ZINC000587610894 GB Annotated Anodyne O=C1O[C@H]([C@@H](O)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](O)[C@@H]1O ZINC000587610895 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587611818 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587611823 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000587611825 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)[C@H](O)[C@@H](O)CO ZINC000587611826 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000587611828 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)[C@H](O)[C@@H](O)CO ZINC000587611829 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)[C@H](O)[C@@H](O)CO ZINC000587611832 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000587611833 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587611834 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000587611837 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587611839 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)[C@H](O)[C@@H](O)CO ZINC000587611841 GB Annotated Anodyne O=C([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612770 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C(=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587612771 GB Annotated Anodyne O=C([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587612772 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587612773 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO ZINC000587616471 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000587616472 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO ZINC000587616473 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000587616474 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587616475 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000587616476 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587616477 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587616478 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587616479 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587616480 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000587616481 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000587616482 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO ZINC000587616483 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587616484 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000587616485 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000587616486 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587616487 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587616488 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000587616489 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO ZINC000587616490 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@H](O)[C@@H](O)[C@H](O)CO ZINC000587618519 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587618520 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587618521 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)[C@H](O)[C@@H](O)[C@H](O)CO ZINC000587618522 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587618523 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587618524 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587618525 GB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)[C@H](O)[C@@H](O)[C@H](O)CO ZINC000587618526 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@H](O)[C@@H](O)[C@H](O)CO ZINC000587618527 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587618528 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587618529 GB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)[C@@H](O)[C@H](O)CO ZINC000587618530 GB Annotated Anodyne NNC(=O)[C@@H](CC(=O)n1ncc2ccc(Cl)cc2c1=O)N1CCOCC1 ZINC000587653735 GB Annotated Reactive NNC(=O)[C@H](CC(=O)n1ncc2ccc(Cl)cc2c1=O)N1CCOCC1 ZINC000587653741 GB Annotated Reactive NNC(=O)C[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)N1CCOCC1 ZINC000587655136 GB Annotated Reactive NNC(=O)C[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)N1CCOCC1 ZINC000587655137 GB Annotated Reactive NNC(=O)[C@H](O)[C@H](O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659170 GB Annotated Reactive NNC(=O)[C@@H](O)[C@H](O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659174 GB Annotated Reactive NNC(=O)[C@H](O)[C@@H](O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659175 GB Annotated Reactive NNC(=O)[C@@H](O)[C@@H](O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659177 GB Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]2O ZINC000587820677 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]2O ZINC000587820691 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]2O ZINC000587820693 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]2O ZINC000587820696 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]2O ZINC000587824086 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]2O ZINC000587824087 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]2O ZINC000587824124 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]2O ZINC000587824126 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825556 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825557 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825558 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825559 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825560 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825561 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825562 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587825563 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587825564 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825565 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587825566 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587825567 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825568 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587825569 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587825570 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587825571 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825572 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587825573 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825574 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825575 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587826438 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587826447 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587826449 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587826451 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587826453 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587826454 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587826457 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587826459 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587826460 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587826463 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587826464 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587826466 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587826468 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587826469 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587826472 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587826473 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587826476 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587826478 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587826481 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587826483 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587826486 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587826495 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587826497 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587826499 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587827868 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587827869 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587827870 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587827871 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587827872 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587827873 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587827874 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587827875 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587827876 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587827877 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587827878 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587827879 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587830174 GB Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587830181 GB Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587830188 GB Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587830190 GB Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587830924 GB Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587830925 GB Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587830926 GB Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587830927 GB Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587831510 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831511 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831512 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831514 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831515 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831517 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587831518 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831519 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831520 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587831522 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587831523 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587831525 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831526 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831529 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587831530 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587831531 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587831532 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831534 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831535 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831536 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](O)C(=O)C(=O)C(=O)[C@@H]2O ZINC000587831565 GB Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](O)C(=O)C(=O)C(=O)[C@@H]2O ZINC000587831568 GB Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H](O)C(=O)C(=O)C(=O)[C@H]2O ZINC000587831569 GB Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@@H](O)C(=O)C(=O)C(=O)[C@@H]2O ZINC000587831570 GB Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](O)C(=O)[C@H](O)C2=O ZINC000587831850 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(=O)[C@H](O)C(=O)[C@@H](O)C2=O ZINC000587831856 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](O)C(=O)[C@H](O)C2=O ZINC000587831861 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(=O)[C@@H](O)C(=O)[C@H](O)C2=O ZINC000587831865 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587831932 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587831934 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587831937 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587831941 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587831945 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587831947 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587831950 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587831953 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587832149 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587832150 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587832151 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587832152 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](O)C(=O)[C@H](O)C2=O ZINC000587832996 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(=O)[C@H](O)C(=O)[C@@H](O)C2=O ZINC000587832997 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](O)C(=O)[C@H](O)C2=O ZINC000587832998 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(=O)[C@@H](O)C(=O)[C@H](O)C2=O ZINC000587832999 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587833150 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587833153 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587833156 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587833158 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587833161 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587833163 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587833167 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587833170 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587833171 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587833174 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587833175 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587833178 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(=O)[C@@H](O)C(=O)[C@@H]2O ZINC000587833868 GB Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(=O)[C@@H](O)C(=O)[C@H]2O ZINC000587833871 GB Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(=O)[C@H](O)C(=O)[C@@H]2O ZINC000587833875 GB Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(=O)[C@H](O)C(=O)[C@H]2O ZINC000587833879 GB Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(=O)[C@@H](O)C(=O)[C@@H]2O ZINC000587834696 GB Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(=O)[C@@H](O)C(=O)[C@H]2O ZINC000587834697 GB Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(=O)[C@H](O)C(=O)[C@@H]2O ZINC000587834698 GB Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(=O)[C@H](O)C(=O)[C@H]2O ZINC000587834802 GB Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587835515 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587835517 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587835699 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587835700 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587835701 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587835702 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587835703 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587835704 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587835705 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587835706 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587835707 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587835708 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587835709 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587835710 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587835711 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587835712 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587835713 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587835714 GB Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587835715 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587835716 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](O)C(=O)C(=O)C(=O)[C@@H]2O ZINC000587835912 GB Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](O)C(=O)C(=O)C(=O)[C@@H]2O ZINC000587835914 GB Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H](O)C(=O)C(=O)C(=O)[C@H]2O ZINC000587835915 GB Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@@H](O)C(=O)C(=O)C(=O)[C@@H]2O ZINC000587835916 GB Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587835928 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587835929 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587835931 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587835932 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587835934 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587835936 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587835937 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587835939 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587835941 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587835943 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587835944 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587835946 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587835947 GB Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587835949 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587835951 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587835952 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)O[C@H]([C@H](O)CO)[C@H]2O ZINC000587844028 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)O[C@H]([C@H](O)CO)[C@@H]2O ZINC000587844033 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)O[C@H]([C@H](O)CO)[C@H]2O ZINC000587844034 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)O[C@H]([C@@H](O)CO)[C@H]2O ZINC000587844035 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)O[C@H]([C@H](O)CO)[C@@H]2O ZINC000587844036 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)O[C@H]([C@@H](O)CO)[C@@H]2O ZINC000587844037 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)O[C@H]([C@@H](O)CO)[C@H]2O ZINC000587844171 GB Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)O[C@H]([C@@H](O)CO)[C@@H]2O ZINC000587844172 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)O[C@H]([C@@H](O)CO)[C@H]2O ZINC000587845140 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)O[C@H]([C@H](O)CO)[C@@H]2O ZINC000587845141 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)O[C@H]([C@@H](O)CO)[C@@H]2O ZINC000587845142 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)O[C@H]([C@H](O)CO)[C@H]2O ZINC000587845143 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)O[C@H]([C@@H](O)CO)[C@H]2O ZINC000587845144 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)O[C@H]([C@@H](O)CO)[C@@H]2O ZINC000587845145 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)O[C@H]([C@H](O)CO)[C@@H]2O ZINC000587845146 GB Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)O[C@H]([C@H](O)CO)[C@H]2O ZINC000587845147 GB Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](O)[C@@H](O)C(=O)NN ZINC000587861885 GB Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](O)[C@H](O)C(=O)NN ZINC000587861891 GB Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](O)[C@H](O)C(=O)NN ZINC000587861892 GB Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](O)[C@@H](O)C(=O)NN ZINC000587861893 GB Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](O)[C@@H](O)C(=O)NN ZINC000587867488 GB Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](O)[C@@H](O)C(=O)NN ZINC000587867489 GB Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](O)[C@H](O)C(=O)NN ZINC000587867490 GB Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](O)[C@H](O)C(=O)NN ZINC000587867491 GB Annotated Reactive O=C(c1ccc(O)cc1)c1c(O)cc(O)c2c1O[C@@]1(C2)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000059086570 GB Annotated Anodyne Cc1nnn(C[C@@H](C)n2nnc3cc4c(=O)n(C5CC5)nnc4cc3c2=O)n1 ZINC000059185458 GB Annotated Bother Cc1nnnn1C[C@@H](C)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000059185526 GB Annotated Bother C#C[C@H](Cn1ncnn1)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000059185768 GB Annotated Mild C[C@H](CNS(C)(=O)=O)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000059185903 GB Annotated Bother CC#CCn1nnc2cc3c(=O)n([C@H](C)Cn4ncnn4)nnc3cc2c1=O ZINC000059186008 GB Annotated Mild O=C(O)C1=N[C@H](C(=O)O)CC(/C=C/N2C3=CC(=O)C(=O)C=C3C[C@H]2C(=O)O)=C1 ZINC000059211747 GB Annotated Anodyne in-vitro C=C[C@H]1[C@H](O[C@@H]2O[C@](C)(CO)[C@H](O)[C@@H](O)[C@H]2O)OC=C2C(=O)O[C@@H](C)C[C@H]21 ZINC000059586052 GB Annotated Mild in-vitro biogenic COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1Cc1cc(OC)cc(OC)c1 ZINC000059722026 GB Annotated Anodyne C=C(C(=O)O[C@H]1C[C@]2(C)[C@H]([C@@H](CO)CC[C@H]2O)[C@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO ZINC000006491350 GB Annotated Mild in-vitro biogenic C=CCCC/C=C\[C@@H](C#CC#C[C@@H](O)C=C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000060248138 GB Annotated Mild C[C@@H]1C[C@H](O)CC(C)(C)[C@H]1CC[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000060289203 GB Annotated Anodyne C[C@@H]1C[C@H](O)CC(C)(C)[C@H]1CC[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000060289206 GB Annotated Anodyne C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@H]1CC[C@H](O)CO ZINC000060289504 GB Annotated Anodyne C[C@@H]1C[C@H](O)CC(C)(C)[C@H]1CC[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000060289816 GB Annotated Anodyne COCCN1C[C@@H](CO)O[C@@H](n2cnc3c(N4CCN(C)CC4)ncnc32)C1 ZINC000061896140 GB Annotated Anodyne O=C(NCC1CCCCC1)c1csc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)n1 ZINC000061903555 GB Annotated Anodyne COCCN1C[C@@H](CO)O[C@@H](n2cnc3c(N4CCOCC4)ncnc32)C1 ZINC000061905340 GB Annotated Anodyne CN(C)c1ncnc2c1ncn2[C@H]1CN(CCN2CCOCC2)C[C@@H](CO)O1 ZINC000061906516 GB Annotated Anodyne CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 ZINC000061930186 GB Annotated Anodyne COc1ccc(Cl)c(CNC[C@H]2O[C@@H](n3cnc(C(N)=O)n3)[C@H](O)[C@@H]2O)c1 ZINC000061935884 GB Annotated Anodyne C/N=C1/N(C)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C(=O)OC)N12 ZINC000061942240 GB Annotated Mild CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)NC(C)C ZINC000061947103 GB Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)N[C@H](CN(C)C(C)=O)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947184 GB Annotated Anodyne COC(=O)C[C@H](NC(=O)Cn1cnc2c(SC)nc(N)nc21)C(=O)OC ZINC000061947331 GB Annotated Anodyne CCN(CC)C(=O)[C@@H]1S[C@@H]2N[C@H](CSc3nc(N)n[nH]3)NC(=O)[C@H]2[C@H]1C ZINC000618014411 GB Annotated Anodyne CCN(CC)C(=O)[C@@H]1S[C@@H]2N[C@H](CSc3nc(N)n[nH]3)NC(=O)[C@H]2[C@@H]1C ZINC000618014432 GB Annotated Anodyne CCN(CC)C(=O)[C@@H]1S[C@@H]2N[C@H](CSc3nc(N)n[nH]3)NC(=O)[C@@H]2[C@H]1C ZINC000618014433 GB Annotated Anodyne CCN(CC)C(=O)[C@@H]1S[C@@H]2N[C@H](CSc3nc(N)n[nH]3)NC(=O)[C@@H]2[C@@H]1C ZINC000618014434 GB Annotated Anodyne O=C1N[C@H](CN2CCN(CC(=O)N3CCCCCC3)CC2)N[C@@H]2CCS[C@@H]12 ZINC000618015055 GB Annotated Anodyne O=C1N[C@H](CN2CCN(CC(=O)N3CCCCCC3)CC2)N[C@H]2CCS[C@H]12 ZINC000618015062 GB Annotated Anodyne O=C1N[C@H](CN2CCN(CC(=O)N3CCCCCC3)CC2)N[C@H]2CCS[C@@H]12 ZINC000618015063 GB Annotated Anodyne O=C1N[C@H](CN2CCN(CC(=O)N3CCCCCC3)CC2)N[C@@H]2CCS[C@H]12 ZINC000618015064 GB Annotated Anodyne Cc1cn2c(n1)CC[C@H](NS(=O)(=O)[C@@H]1CC[C@@H]3NC(=O)NC(=O)[C@@H]3C1)C2 ZINC000618015775 GB Annotated Anodyne Cc1cn2c(n1)CC[C@H](NS(=O)(=O)[C@@H]1CC[C@H]3NC(=O)NC(=O)[C@H]3C1)C2 ZINC000618015777 GB Annotated Anodyne Cc1cn2c(n1)CC[C@H](NS(=O)(=O)[C@@H]1CC[C@@H]3NC(=O)NC(=O)[C@H]3C1)C2 ZINC000618015779 GB Annotated Anodyne Cc1cn2c(n1)CC[C@H](NS(=O)(=O)[C@@H]1CC[C@H]3NC(=O)NC(=O)[C@@H]3C1)C2 ZINC000618015780 GB Annotated Anodyne C[C@@H]1CCCCN1CCCNC(=O)[C@@H]1NNN2[C@@H]1C(=O)N[C@@H]1C[C@@H](F)CC[C@H]12 ZINC000618016432 GB Annotated Anodyne C[C@@H]1CCCCN1CCCNC(=O)[C@@H]1NNN2[C@@H]3CC[C@H](F)C[C@H]3NC(=O)[C@@H]12 ZINC000618016443 GB Annotated Anodyne C[C@@H]1CCCCN1CCCNC(=O)[C@@H]1NNN2[C@@H]3CC[C@H](F)C[C@@H]3NC(=O)[C@@H]12 ZINC000618016444 GB Annotated Anodyne C[C@@H]1CCCCN1CCCNC(=O)[C@@H]1NNN2[C@@H]1C(=O)N[C@H]1C[C@@H](F)CC[C@H]12 ZINC000618016445 GB Annotated Anodyne O=C1N[C@@H](O)NC[C@@H]1S(=O)(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000618016627 GB Annotated Anodyne O=C1N[C@@H](O)NC[C@H]1S(=O)(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000618016628 GB Annotated Anodyne O=C1N[C@H](O)NC[C@H]1S(=O)(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000618016629 GB Annotated Anodyne O=C1N[C@H](O)NC[C@@H]1S(=O)(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000618016630 GB Annotated Anodyne Cc1c([N+](=O)[O-])cc(NO)c([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1[N+](=O)[O-] ZINC000062237861 GB Annotated Bother in-vitro Cc1c([N+](=O)[O-])cc(NO)c([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1[N+](=O)[O-] ZINC000062237864 GB Annotated Bother in-vitro Cc1c([N+](=O)[O-])cc(NO)c([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1[N+](=O)[O-] ZINC000062237867 GB Annotated Bother in-vitro Cc1c([N+](=O)[O-])cc(NO)c([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1[N+](=O)[O-] ZINC000062237870 GB Annotated Bother in-vitro COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccnn4C)c(C)cn23)n(C)c1=O ZINC000621431559 GB Annotated Anodyne COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccnn4C)c(C)cn23)n(C)c1=O ZINC000621431564 GB Annotated Anodyne COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccn(C)n4)c(C)cn23)n(C)c1=O ZINC000621431612 GB Annotated Anodyne COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccn(C)n4)c(C)cn23)n(C)c1=O ZINC000621431614 GB Annotated Anodyne CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064447308 GB Annotated Mild CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O ZINC000064447347 GB Annotated Mild CC1(C)[C@H]2O[C@H]2[C@H]2[C@](C)(O)[C@@H]3C[C@@H](O)[C@@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000653687456 GB Annotated Anodyne C=C1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@@]12[C@H](CC[C@@]4(C)[C@H](O)O[C@@H](O[C@H]1O)[C@H]42)OC3=O ZINC000653738872 GB Annotated Mild C=C1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@]12[C@@H](O)O[C@@H]4O[C@H](O)[C@](C)(CC[C@@H]1OC3=O)[C@@H]42 ZINC000653738873 GB Annotated Mild C=C1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@@]12[C@H](CC[C@@]4(C)[C@@H](O)O[C@@H](O[C@H]1O)[C@H]42)OC3=O ZINC000653738874 GB Annotated Mild C=C1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@]12[C@@H](O)O[C@@H]4O[C@@H](O)[C@](C)(CC[C@@H]1OC3=O)[C@@H]42 ZINC000653738875 GB Annotated Mild CC1(C)[C@@H](O)[C@@H](O)[C@@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000653794424 GB Annotated Anodyne O=C(O)CCC(=O)OCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000653829383 GB Annotated Anodyne CN(C(=O)C[C@@H](N)Cc1ccc(C(=N)N)cc1)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066073832 GB Annotated Mild CN(C(=O)C[C@@H](N)Cc1ccc(C(=N)N)cc1)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066073833 GB Annotated Mild C[C@@H](CC[C@@]1(O)[C@H](C)C[C@H](O)CC1(C)C)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000066100287 GB Annotated Anodyne CN1C(=O)[C@@H]2C[C@]3(CN2C(=O)c2cc(Cl)ccc21)O[C@@H](CO)[C@H](O)[C@H]3O ZINC000066102162 GB Annotated Anodyne CN1C(=O)[C@H]2C[C@@]3(CN2C(=O)c2cc(Cl)ccc21)O[C@H](CO)[C@@H](O)[C@@H]3O ZINC000066128410 GB Annotated Anodyne CC1(C)C(=O)N(CCS(=O)(=O)CCCS(=O)(=O)O)C(=O)N1Cl ZINC000069061731 GB Annotated Anodyne C[C@@H]1C[C@H](O)CC(C)(C)[C@H]1CC[C@H](CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000070455053 GB Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@H](O)CC(C)(C)[C@H]1CC[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000070455056 GB Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@H](O)CC(C)(C)[C@H]1CC[C@@H](CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000070455057 GB Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@H]1CC[C@H](O)CO ZINC000070455058 GB Annotated Anodyne in-vitro biogenic C[C@H](/C=C/[C@@]1(O)[C@H](C)C[C@H](O)CC1(C)C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000070455066 GB Annotated Anodyne in-vitro biogenic C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(C)C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000070455067 GB Annotated Anodyne in-vitro biogenic CC1=C[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H](C)C(=O)[C@H]2[C@](C)(O)C12CC2 ZINC000070647067 GB Annotated Anodyne in-vitro biogenic C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O ZINC000070647072 GB Annotated Bother C[C@H](O)CC[C@@]1(O)[C@@H](C)C[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C ZINC000071332965 GB Annotated Anodyne CS(=O)(=O)NCCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072175471 GB Annotated Anodyne CS(=O)(=O)NCCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072175472 GB Annotated Anodyne CN[C@H](C[C@@H](O)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H]1C)S[C@@H]1CCNC1 ZINC000072266266 GB Annotated Anodyne in-man CN[C@H](C[C@H](O)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H]1C)S[C@@H]1CCNC1 ZINC000072266267 GB Annotated Anodyne in-man CN[C@@H](C[C@@H](O)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H]1C)S[C@@H]1CCNC1 ZINC000072266268 GB Annotated Anodyne in-man CN[C@@H](C[C@H](O)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H]1C)S[C@@H]1CCNC1 ZINC000072266269 GB Annotated Anodyne in-man CC(C)=CCN1CCN(S(=O)(=O)c2cn(C)cn2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072410481 GB Annotated Anodyne CC(C)CN1CCN(S(=O)(=O)c2cn(C)cn2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072463125 GB Annotated Anodyne CC1=CC(=O)O[C@H]1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@H]3[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1[C@]32C ZINC000073161198 GB Annotated Anodyne OC[C@H]1O[C@H](OCc2cn(C34CC5CC(CC(C5)C3)C4)nn2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000073168022 GB Annotated Anodyne C[C@H](Cn1ncc(C#N)n1)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000073196551 GB Annotated Mild CN(CCO)c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F ZINC000073221041 GB Annotated Anodyne COc1cc(/C=N/N2CC(=O)NC2=O)ccc1OCC(=O)N1CCOCC1 ZINC000008216948 GB Annotated Mild O=C(O)[C@H]1CSCN1c1nc2nonc2nc1N1CSC[C@@H]1C(=O)O ZINC000082053218 GB Annotated Anodyne O=C(O)[C@H]1CSCN1c1nc2nonc2nc1N1CSC[C@H]1C(=O)O ZINC000082053220 GB Annotated Anodyne NCCN(CCO)CCOC(=O)CNC(=O)c1coc(-c2cccs2)n1 ZINC000082084792 GB Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205549 GB Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209281 GB Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@H](C(C)C)N2 ZINC000082224254 GB Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@@H](C(C)C)N2 ZINC000082224256 GB Annotated Anodyne CN(CCC[C@@H](C[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccnc1)N=O ZINC000084385929 GB Annotated Anodyne CN(CCC[C@H](C[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccnc1)N=O ZINC000084385931 GB Annotated Anodyne CC1=C(/N=C/N(C)C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H](N)[C@H]3O ZINC000084462594 GB Annotated Mild CC1=C(/N=C/N(C)C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H](N)[C@H]3O ZINC000084462595 GB Annotated Mild CC(C)[C@H](N)C(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](C)[C@@H]1O ZINC000084604320 GB Annotated Clean CC(C)[C@H](N)C(=O)O[C@H]1[C@@H](C)[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)N=[N+]=[N-] ZINC000084604324 GB Annotated Clean CN1CCN(c2nc(Nc3ccc(C#N)nc3)nc(N3CCN(C)CC3)n2)CC1 ZINC000084689442 GB Annotated Mild Cn1c(=O)[nH]c(=O)c2nc(NCCCO)n(C[C@H](O)COc3ccccc3)c21 ZINC000084710391 GB Annotated Anodyne Cn1c(=O)[nH]c(=O)c2nc(NCCCO)n(C[C@@H](O)COc3ccccc3)c21 ZINC000084710393 GB Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1Cc1cc(OC)cc(OC)c1 ZINC000084923913 GB Annotated Anodyne CC[C@@]1(C)NC(=O)N(NC(=O)CNC(=O)C(=O)NCCc2cccs2)C1=O ZINC000008987296 GB Annotated Anodyne CC[C@]1(C)NC(=O)N(NC(=O)CNC(=O)C(=O)NCCc2cccs2)C1=O ZINC000008987299 GB Annotated Anodyne COC(=O)/C=C(/C(=O)OC)[C@H]1c2c(cc(O)c(O)c2O)C(=O)O[C@@H]1C(=O)OC ZINC000085541304 GB Annotated Clean in-vitro biogenic C[C@H]1CC(=O)C[C@](O)(C2=C(O)C=N[C@]3(C[C@](O)(CO)[C@@H](C)CC3=O)O2)[C@@H]1O ZINC000085551275 GB Annotated Anodyne CC(C)Cc1ccc2nc(CO)c(OC(=O)[C@@H]3O[C@@](O)(CO)[C@H](O)[C@H]3O)[c-]2c1 ZINC000085569266 GB Annotated Anodyne in-vitro biogenic O=C(Oc1c(CO)nc2cccc[c-]12)[C@@H]1O[C@@](O)(C2(O)CCCC2)[C@H](O)[C@H]1O ZINC000085569273 GB Annotated Anodyne in-vitro biogenic CC(C)[C@@]1(O)C[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@H]([C@@]2(O)[C@@]41C)[C@]1(O)[C@H](C)CC[C@]31O ZINC000085643712 GB Annotated Anodyne C[C@H](O)/C=C/[C@]12O[C@@]1(C)C[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CC2(C)C ZINC000085700643 GB Annotated Anodyne in-man C[C@@H](O)/C=C/[C@]12O[C@@]1(C)C[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)CC2(C)C ZINC000085700647 GB Annotated Anodyne in-man C[C@@H](/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085700652 GB Annotated Anodyne in-man C[C@H](/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085700655 GB Annotated Anodyne in-man CCC/C=C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085772048 GB Annotated Mild in-man CCC/C=C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085772049 GB Annotated Mild in-man C=CCCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000085772051 GB Annotated Mild in-man C=CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000085772052 GB Annotated Mild in-man CCCCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085772087 GB Annotated Mild in-man CCCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085772090 GB Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800103 GB Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800105 GB Annotated Mild in-man C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000085800251 GB Annotated Mild in-man C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800253 GB Annotated Mild in-man N=C(NCCCCNC(=O)C(=O)c1cn(O)c2c(O)cccc12)/C(N)=N\O ZINC000085851134 GB Annotated Mild O=C(O)CC(=O)OC[C@@H]1O[C@H](Oc2c[nH]c3ccccc23)[C@H](O)C(=O)[C@@H]1O ZINC000085919860 GB Annotated Anodyne O=C(O)CC(=O)OC[C@@H]1O[C@@H](Oc2c[nH]c3ccccc23)[C@H](O)C(=O)[C@@H]1O ZINC000085919863 GB Annotated Anodyne O=C(O)CC(=O)OC[C@@H]1O[C@H](Oc2c[nH]c3ccccc23)[C@@H](O)C(=O)[C@@H]1O ZINC000085919868 GB Annotated Anodyne C=C1C[C@H](OC(=O)[C@]2(C)CO2)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CO ZINC000085960192 GB Annotated Mild CC1=C[C@H](O)CC(C)(C)[C@]1(O)CC[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086030683 GB Annotated Anodyne in-man CC1=C[C@@H](O)CC(C)(C)[C@]1(O)CC[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086030685 GB Annotated Anodyne in-man CC1=C[C@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086030687 GB Annotated Anodyne in-man CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086030689 GB Annotated Anodyne in-man O=C1C[C@H](O)[C@H](O)[C@@]23O[C@@]12C1(Oc2cccc4cccc(c24)O1)[C@@H]1O[C@@H]1[C@@H]3O ZINC000086034279 GB Annotated Anodyne CC(C)CC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086050022 GB Annotated Mild in-man CC(C)CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086050023 GB Annotated Mild in-man Cc1nc(O)nc(O)c1S(=O)(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000009439617 GB Annotated Anodyne CCc1cc(N2CCC(N[C@@H]3CS(=O)(=O)C[C@H]3O)CC2)nc(N(C)C)n1 ZINC000095505494 GB Annotated Anodyne CS[C@H]1O[C@H]([C@@H](NC(=O)C2CCNCC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000095553814 GB Annotated Reactive CS[C@H]1O[C@H]([C@@H](NC(=O)C2CCNCC2)[C@@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000095553815 GB Annotated Reactive CS[C@H]1O[C@@H]([C@@H](NC(=O)C2CCNCC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000095553816 GB Annotated Reactive CS[C@H]1O[C@@H]([C@@H](NC(=O)C2CCNCC2)[C@@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O ZINC000095553817 GB Annotated Reactive NCCOCCOCCNC(=O)[C@@H](F)c1ccc(OS(=O)(=O)O)cc1 ZINC000095559998 GB Annotated Anodyne NCCOCCOCCNC(=O)[C@H](F)c1ccc(OS(=O)(=O)O)cc1 ZINC000095559999 GB Annotated Anodyne CC(=O)N1CCC[C@H]1C(=O)O[C@@H](CC(C)C)C(=O)NCC(=O)OCC(=O)O ZINC000095561393 GB Annotated Anodyne CC1=NN(c2nc(N)nc(Cn3ccc(=O)c(S(N)(=O)=O)c3)n2)C(C)(C)C1 ZINC000095562132 GB Annotated Anodyne CC(=O)c1cccc(N[C@H]2[C@H](N)[C@]3(NC(=O)O[C@H]3C)[C@@](C)(O)[C@@]2(O)CO)c1 ZINC000095592806 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095604596 GB Annotated Anodyne COc1cc(C[C@@H]2CCC(=O)O2)ccc1O[C@H]1[C@@H](O)O[C@@H](C(=O)O)[C@H](O)[C@H]1O ZINC000095626095 GB Annotated Anodyne in-man COc1cc(C[C@@H]2CCC(=O)O2)ccc1O[C@@H]1[C@@H](O)O[C@@H](C(=O)O)[C@H](O)[C@H]1O ZINC000095626096 GB Annotated Anodyne in-man COc1cc(C[C@H]2CCC(=O)O2)ccc1O[C@H]1[C@@H](O)O[C@@H](C(=O)O)[C@H](O)[C@H]1O ZINC000095626097 GB Annotated Anodyne in-man COc1cc(C[C@H]2CCC(=O)O2)ccc1O[C@@H]1[C@@H](O)O[C@@H](C(=O)O)[C@H](O)[C@H]1O ZINC000095626098 GB Annotated Anodyne in-man O=C(O)C1=C/C(=C/C=[N+]2/C3=CC(=O)C(=O)C=C3C[C@H]2C(=O)O)C[C@@H](C(=O)O)N1 ZINC000095636160 GB Annotated Mild in-vitro O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095661532 GB Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 ZINC000095667505 GB Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095667853 GB Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095667862 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095668121 GB Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095668402 GB Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C=C[C@@H](NC(=O)Cc3ccccn3)[C@H](CO)O2)CC1 ZINC000095675284 GB Annotated Anodyne CN1CCN(C(=O)C[C@H]2C=C[C@H](NC(=O)Cc3ccccn3)[C@@H](CO)O2)CC1 ZINC000095675285 GB Annotated Anodyne CN1CCN(C(=O)C[C@H]2C=C[C@@H](NC(=O)Cc3ccccn3)[C@H](CO)O2)CC1 ZINC000095675286 GB Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C=C[C@H](NC(=O)Cc3ccccn3)[C@@H](CO)O2)CC1 ZINC000095675287 GB Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C=C[C@H](NC(=O)Cc3ccccn3)[C@H](CO)O2)CC1 ZINC000095675288 GB Annotated Anodyne CN1CCN(C(=O)C[C@H]2C=C[C@@H](NC(=O)Cc3ccccn3)[C@@H](CO)O2)CC1 ZINC000095675289 GB Annotated Anodyne CN1CCN(C(=O)C[C@H]2C=C[C@H](NC(=O)Cc3ccccn3)[C@H](CO)O2)CC1 ZINC000095675290 GB Annotated Anodyne CN1CCN(C(=O)C[C@@H]2C=C[C@@H](NC(=O)Cc3ccccn3)[C@@H](CO)O2)CC1 ZINC000095675291 GB Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1 ZINC000095675313 GB Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1C=C[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 ZINC000095675314 GB Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)Cc2cccnc2)[C@H](CO)O1 ZINC000095675315 GB Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1C=C[C@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 ZINC000095675316 GB Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1C=C[C@H](NC(=O)Cc2cccnc2)[C@H](CO)O1 ZINC000095675317 GB Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)Cc2cccnc2)[C@@H](CO)O1 ZINC000095675318 GB Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1C=C[C@H](NC(=O)Cc2cccnc2)[C@H](CO)O1 ZINC000095675319 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCCCC1 ZINC000095675690 GB Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCCCC1 ZINC000095675691 GB Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCCCC1 ZINC000095675692 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCCCC1 ZINC000095675693 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCCCC1 ZINC000095675694 GB Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCCCC1 ZINC000095675695 GB Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCCCC1 ZINC000095675696 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCCCC1 ZINC000095675697 GB Annotated Anodyne CN(C)CC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095676079 GB Annotated Anodyne CN(C)CC(=O)N[C@H]1C=C[C@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095676080 GB Annotated Anodyne CN(C)CC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095676081 GB Annotated Anodyne CN(C)CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095676082 GB Annotated Anodyne CN(C)CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095676083 GB Annotated Anodyne CN(C)CC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095676084 GB Annotated Anodyne CN(C)CC(=O)N[C@H]1C=C[C@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095676085 GB Annotated Anodyne CN(C)CC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095676086 GB Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H](NC(=O)Cc3ccccn3)[C@H](CO)O2)CC1 ZINC000095676397 GB Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H](NC(=O)Cc3ccccn3)[C@@H](CO)O2)CC1 ZINC000095676399 GB Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H](NC(=O)Cc3ccccn3)[C@H](CO)O2)CC1 ZINC000095676400 GB Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H](NC(=O)Cc3ccccn3)[C@@H](CO)O2)CC1 ZINC000095676401 GB Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H](NC(=O)Cc3ccccn3)[C@H](CO)O2)CC1 ZINC000095676402 GB Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H](NC(=O)Cc3ccccn3)[C@@H](CO)O2)CC1 ZINC000095676403 GB Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H](NC(=O)Cc3ccccn3)[C@H](CO)O2)CC1 ZINC000095676405 GB Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H](NC(=O)Cc3ccccn3)[C@@H](CO)O2)CC1 ZINC000095676408 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)NCC3CC3)O[C@H]2CO)c1 ZINC000095676687 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)NCC3CC3)O[C@@H]2CO)c1 ZINC000095676688 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)NCC3CC3)O[C@H]2CO)c1 ZINC000095676690 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)NCC3CC3)O[C@@H]2CO)c1 ZINC000095676692 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2C=C[C@@H](CC(=O)NCC3CC3)O[C@H]2CO)c1 ZINC000095676694 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2C=C[C@H](CC(=O)NCC3CC3)O[C@@H]2CO)c1 ZINC000095676695 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2C=C[C@H](CC(=O)NCC3CC3)O[C@H]2CO)c1 ZINC000095676696 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)NCC3CC3)O[C@@H]2CO)c1 ZINC000095676699 GB Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)NCCCN1CCOCC1 ZINC000095676797 GB Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)NCCCN1CCOCC1 ZINC000095676798 GB Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)NCCCN1CCOCC1 ZINC000095676799 GB Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCCCN1CCOCC1 ZINC000095676801 GB Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCCCN1CCOCC1 ZINC000095676802 GB Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCCCN1CCOCC1 ZINC000095676803 GB Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCCCN1CCOCC1 ZINC000095676805 GB Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1 ZINC000095677069 GB Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1 ZINC000095677070 GB Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1 ZINC000095677072 GB Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1 ZINC000095677073 GB Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1 ZINC000095677074 GB Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1 ZINC000095677075 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCCCN1CCOCC1 ZINC000095677166 GB Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCCCN1CCOCC1 ZINC000095677167 GB Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCCCN1CCOCC1 ZINC000095677168 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCCCN1CCOCC1 ZINC000095677169 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCCCN1CCOCC1 ZINC000095677170 GB Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCCCN1CCOCC1 ZINC000095677171 GB Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCCCN1CCOCC1 ZINC000095677172 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCCCN1CCOCC1 ZINC000095677173 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095677529 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095677531 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095677532 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095677533 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095677534 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095677535 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095677536 GB Annotated Anodyne CN1CCN(C2=C[C@H]3N=C([C@@H]4C(=O)N=c5cccc(F)c5=C4N)N=C3C=C2)CC1 ZINC000095707294 GB Annotated Anodyne CN1CCN(C2=C[C@@H]3N=C([C@@H]4C(=O)N=c5cccc(F)c5=C4N)N=C3C=C2)CC1 ZINC000095707295 GB Annotated Anodyne CC(=O)N[C@@H](CSC(=O)[C@]1([C@](C)(O)C(C)C)NC(=O)[C@H](C)[C@@H]1O)C(=O)O ZINC000095783527 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095794152 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095794241 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095794244 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095794382 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095794487 GB Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095794563 GB Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095794599 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095794839 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)NCC3CC3)O[C@@H]2CO)c1 ZINC000095796887 GB Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2cccnc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095796931 GB Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2cccnc2)[C@H](CO)O1)NCc1ccncn1 ZINC000095797027 GB Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)NCc1ccncn1 ZINC000095797157 GB Annotated Anodyne CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)CN(C)C)C[C@H]23)cc1 ZINC000095797233 GB Annotated Mild O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO ZINC000095808341 GB Annotated Reactive O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/[C@H](O)[C@@H](O)[C@H](O)CO ZINC000095809770 GB Annotated Reactive CN1CCN(C(=O)C[C@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3C(=O)C3CC3)O2)CC1 ZINC000095884775 GB Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3C(=O)C3CC3)O2)CC1 ZINC000095884776 GB Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@@H](O)CN3C(=O)C3CC3)O2)CC1 ZINC000095884777 GB Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3C(=O)C3CC3)O2)CC1 ZINC000095884778 GB Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H]3[C@@H](COC[C@@H](O)CN3C(=O)C3CC3)O2)CC1 ZINC000095884779 GB Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3C(=O)C3CC3)O2)CC1 ZINC000095884780 GB Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3C(=O)C3CC3)O2)CC1 ZINC000095884781 GB Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3C(=O)C3CC3)O2)CC1 ZINC000095884782 GB Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000095885792 GB Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000095885793 GB Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000095885794 GB Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000095885795 GB Annotated Anodyne CCCNC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000095885796 GB Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000095885797 GB Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000095885798 GB Annotated Anodyne CCCNC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000095885799 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095904163 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095904164 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095904165 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095904166 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095904167 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095904168 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095904169 GB Annotated Anodyne O=C(CN1CCOCC1)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095904170 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2CC[C@@H](CC(=O)NCC3CC3)O[C@H]2CO)c1 ZINC000095904232 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2CC[C@H](CC(=O)NCC3CC3)O[C@@H]2CO)c1 ZINC000095904233 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)NCC3CC3)O[C@H]2CO)c1 ZINC000095904234 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2CC[C@@H](CC(=O)NCC3CC3)O[C@H]2CO)c1 ZINC000095904235 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2CC[C@H](CC(=O)NCC3CC3)O[C@@H]2CO)c1 ZINC000095904236 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@@H]2CC[C@@H](CC(=O)NCC3CC3)O[C@@H]2CO)c1 ZINC000095904237 GB Annotated Anodyne Cn1cnc(S(=O)(=O)N[C@H]2CC[C@H](CC(=O)NCC3CC3)O[C@H]2CO)c1 ZINC000095904239 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1)NCCCN1CCOCC1 ZINC000095904328 GB Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@@H](CO)O1)NCCCN1CCOCC1 ZINC000095904329 GB Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1)NCCCN1CCOCC1 ZINC000095904330 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CC2)[C@@H](CO)O1)NCCCN1CCOCC1 ZINC000095904331 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCCCN1CCOCC1 ZINC000095904332 GB Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCCCN1CCOCC1 ZINC000095904333 GB Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCCCN1CCOCC1 ZINC000095904334 GB Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCCCN1CCOCC1 ZINC000095904335 GB Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095906694 GB Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095906695 GB Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1 ZINC000095906696 GB Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1 ZINC000095906697 GB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095907172 GB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095907173 GB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095907174 GB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095907175 GB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095907176 GB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095907177 GB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095907178 GB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095907179 GB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO ZINC000095907849 GB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO ZINC000095907850 GB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO ZINC000095907851 GB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO ZINC000095907852 GB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO ZINC000095907853 GB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO ZINC000095907854 GB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccccc2)O[C@H]1CO ZINC000095907855 GB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccccc2)O[C@@H]1CO ZINC000095907856 GB Annotated Anodyne CC1=C(C(C)C)[C@@H](O)[C@H]2[C@@]1(O)[C@]13OC(=O)C[C@@]2(CO)[C@@]1(O)CC[C@H](C)[C@H]3O ZINC000095909492 GB Annotated Anodyne in-vitro biogenic C[C@@H](/C=C/[C@@H]1[C@@]2(C)CO[C@]1(C)C[C@@H](O)C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095909862 GB Annotated Anodyne in-vitro biogenic CC1=C(/C=C/[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H](O)C(=O)C1 ZINC000095910005 GB Annotated Anodyne in-vitro biogenic CC1=CC(=O)O[C@H]1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1[C@@]23C ZINC000095911459 GB Annotated Anodyne in-vitro biogenic C[C@@]12C(=O)O[C@@]3(C[C@@H](O)[C@H]1O)[C@@H]2CC[C@@]12C[C@@](O)(CC[C@]31C)[C@@](O)(CO)C2=O ZINC000095911897 GB Annotated Anodyne in-vitro biogenic CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@]31C ZINC000095912104 GB Annotated Mild in-vitro biogenic CC1(C)[C@H]2[C@H](O)C(=O)[C@@]34C[C@@H](CC[C@H]3[C@@]23CO[C@]1(O)CC3=O)[C@@H](CO)C4=O ZINC000095912758 GB Annotated Anodyne in-vitro biogenic C[C@H](O)CC[C@@H]1[C@@H](CO)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C ZINC000095913472 GB Annotated Anodyne in-vitro biogenic C[C@H](CC[C@@H]1[C@@H](CO)C[C@H](O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095913473 GB Annotated Anodyne in-vitro biogenic CC1(C)CC[C@H](O)[C@]23CO[C@](O)([C@@H](O)[C@H]12)[C@@]12C[C@@H](C[C@H](O)[C@@H]31)[C@](C)(O)C2=O ZINC000095914207 GB Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)[C@H](O)[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000095914847 GB Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)[C@H](O)[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H]3[C@](O)(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000095914850 GB Annotated Anodyne in-vitro biogenic COC(=O)[C@@]1(O)C=C(C)C2=CC(=O)[C@@]34CO[C@]5(C)[C@@H](OC(=O)[C@@H]53)[C@H](O)[C@@H]4[C@]21C ZINC000095915008 GB Annotated Mild in-vitro biogenic C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095915011 GB Annotated Anodyne in-vitro biogenic C[C@@H](CC[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095915012 GB Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2O[C@@H](O)[C@@H]4[C@@](C)(CO)CC[C@H](O)[C@]324)[C@@H]1O ZINC000095915123 GB Annotated Mild in-vitro biogenic CC1=C(/C=C/[C@H](C)O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O ZINC000095918745 GB Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)[C@]23C[C@@]1(O)CC[C@]2(C)[C@]12OC(=O)[C@](C)(CC[C@@H]1O)[C@H]2[C@H](O)[C@@H]3O ZINC000095918988 GB Annotated Anodyne in-vitro biogenic CC(C)(O)[C@@]1(O)[C@H](O)[C@]23O[C@H]2C[C@H]2C4=C(CC[C@]2(C)[C@@]32O[C@H]2[C@H]1O)C(=O)OC4 ZINC000095919252 GB Annotated Anodyne in-vitro biogenic C[C@@H](/C=C/[C@@]1(O)[C@H](C)C[C@H](O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095919275 GB Annotated Anodyne in-vitro biogenic C[C@@H](O)CC[C@H]1[C@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]1(C)CO ZINC000095919276 GB Annotated Anodyne in-vitro biogenic O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@H]3OC[C@H](O)[C@@H](O)[C@H]3O)c(O)c12 ZINC000095919454 GB Annotated Clean in-vitro biogenic CC1=C(S[C@@H]2CN[C@H](C(=O)N(C)C)C2)C(C(=O)O)=N[C@H]1[C@H](C(=O)O)[C@@H](C)O ZINC000095921049 GB Annotated Anodyne CN(CCO)[C@@H]1CN(Cc2cn(Cc3ccccc3F)nn2)S(=O)(=O)C1 ZINC000096020606 GB Annotated Anodyne CN(CCO)[C@H]1CN(Cc2cn(Cc3ccccc3F)nn2)S(=O)(=O)C1 ZINC000096020607 GB Annotated Anodyne COCCCn1cc(CN2C[C@H](N3CCSCC3)CS2(=O)=O)nn1 ZINC000096020833 GB Annotated Anodyne COCCCn1cc(CN2C[C@@H](N3CCSCC3)CS2(=O)=O)nn1 ZINC000096020834 GB Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O ZINC000096085513 GB Annotated Mild in-vitro CC1=CC(=O)O[C@@H]1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@H]3[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1[C@]32C ZINC000096086074 GB Annotated Anodyne in-vitro CN(CC(=O)N[C@@H](CCC(N)=O)C(=O)O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000096086641 GB Annotated Bother in-vitro CNC(=O)c1c(N)n(CCOC)c2nc(C#C[C@](C)(O)COC)ccc2c1=O ZINC000096168455 GB Annotated Mild CNC(=O)c1c(N)n(CCOC)c2nc(C#C[C@@](C)(O)COC)ccc2c1=O ZINC000096168456 GB Annotated Mild CN1CCNC[C@@H]1N(C(=O)COC(=O)c1ccccc1)[C@@H]1CNCCN1C ZINC000096901962 GB Annotated Anodyne CN1CCNC[C@H]1N(C(=O)COC(=O)c1ccccc1)[C@@H]1CNCCN1C ZINC000096901963 GB Annotated Anodyne C[C@H]1CC[C@H]2[C@H](COCCO)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@@H](OCCO)[C@@]12O ZINC000096903737 GB Annotated Anodyne Nc1ccn([C@@H]2O[C@@](CO)(n3cc(-c4ccccc4)nn3)[C@@H](O)[C@@H]2F)c(=O)n1 ZINC000096907635 GB Annotated Anodyne COc1ccc(N(C)CCn2nnc3c(C(N)=O)ncn3c2=O)c([N+](=O)[O-])c1 ZINC000096910817 GB Annotated Clean CO[C@H]1O[C@H](CS(=O)(=O)CCC(C)(C)N(Cl)Cl)[C@@H](O)[C@H](O)[C@H]1O ZINC000096933036 GB Annotated Anodyne CC(C)[C@H](NC(=O)[C@@H]1N[C@@H](CN=[N+]=[N-])C[C@H]1CN=[N+]=[N-])C(=O)NCC(N)=O ZINC000096933366 GB Annotated Clean CC(C)[C@H](NC(=O)[C@H]1N[C@H](CN=[N+]=[N-])C[C@@H]1CN=[N+]=[N-])C(=O)NCC(N)=O ZINC000096933367 GB Annotated Clean O=C(NNC(=S)Nc1ccc(F)cc1)c1cc(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12 ZINC000098085761 GB Annotated Reactive C[C@](COC(=O)CCCCC(=O)O)([C@@H](NCCC=O)C(=O)O)[S@@](=O)O ZINC000098208119 GB Annotated Mild C[C@@H](O)[C@@H](C=O)[C@@H]1N=C(C(=O)O)[C@@H](S[C@@H]2CN[C@@H](C(=O)N(C)C)C2)[C@@H]1C ZINC000098209193 GB Annotated Mild