O=C(O)CCc1nc2c(=O)[nH]c(=O)[nH]c2n(C[C@H](O)[C@@H](O)[C@H](O)CO)c1=O ZINC000100033660 GA Annotated Anodyne in-vivo O=COC[C@@H](CO[P@@](=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC=O ZINC000100198893 GA Annotated Anodyne in-vitro N=C1N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)NC(=N)N3CCC(O)(O)[C@@]23N1 ZINC000100257126 GA Annotated Anodyne in-man biogenic Cc1cccc2c1/C(=N/NC(N)=S)C(=O)N2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000100563970 GA Annotated Mild Cc1cccc2c1/C(=N/NC(N)=S)C(=O)N2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000100563972 GA Annotated Mild O=COC[C@H](CO[P@@](=O)(O)OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)OC=O ZINC000100769858 GA Annotated Anodyne in-man endogenous CC(C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@](CO)([C@@H](O)CO)O1 ZINC000100776984 GA Annotated Anodyne in-man endogenous CC(C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@](CO)([C@@H](O)CO)O1 ZINC000100776986 GA Annotated Anodyne in-man endogenous CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@](CO)([C@@H](O)CO)O1 ZINC000100776989 GA Annotated Anodyne in-man endogenous CC(C)(O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@](CO)([C@@H](O)CO)O1 ZINC000100776990 GA Annotated Anodyne in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778318 GA Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778319 GA Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778321 GA Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778322 GA Annotated Mild in-man endogenous CC(C)[C@@]12C[C@@]3(O)[C@@]4(C)[C@@H]1[C@@]1(O)O[C@](O)([C@@]3(O)[C@@]1(C)O2)[C@@]1(O)[C@@H](C)CC[C@@]41O ZINC000100781269 GA Annotated Anodyne in-man endogenous CC(C)[C@]12C[C@@]3(O)[C@@]4(C)[C@@H]1[C@@]1(O)O[C@](O)([C@@]3(O)[C@@]1(C)O2)[C@@]1(O)[C@@H](C)CC[C@@]41O ZINC000100781270 GA Annotated Anodyne in-man endogenous CC(C)[C@@]12C[C@]3(O)[C@@]4(C)[C@@H]1[C@@]1(O)O[C@](O)([C@@]3(O)[C@@]1(C)O2)[C@@]1(O)[C@@H](C)CC[C@@]41O ZINC000100781273 GA Annotated Anodyne in-man endogenous CC(C)[C@]12C[C@]3(O)[C@@]4(C)[C@@H]1[C@@]1(O)O[C@](O)([C@@]3(O)[C@@]1(C)O2)[C@@]1(O)[C@@H](C)CC[C@@]41O ZINC000100781275 GA Annotated Anodyne in-man endogenous CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC=[N+](C)C)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100790639 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100798435 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@@H]1[C@@H]2N1C ZINC000100800454 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCN)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100800901 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCN)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000100800903 GA Annotated Mild COCC1=C(OC)C(=O)C2=C(C1=O)N1C[C@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000100801351 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(COC(C)C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000100802686 GA Annotated Mild CCCOCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000100803961 GA Annotated Mild C=CCOCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000100804803 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCC#N)C3=O)N1C[C@H]1N[C@H]12 ZINC000100810611 GA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCC#N)C3=O)N1C[C@H]1N[C@H]12 ZINC000100810615 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCN)C3=O)N1C[C@H]1N[C@H]12 ZINC000100812485 GA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCN)C3=O)N1C[C@H]1N[C@H]12 ZINC000100812487 GA Annotated Mild O=C1CC[C@@H](Cc2ccc(O)c(O[C@@H]3[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@@H](O)[C@H]3O)c2)O1 ZINC000100820435 GA Annotated Anodyne in-man O=C1CC[C@@H](Cc2ccc(O)c(O[C@@H]3[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@H](O)[C@H]3O)c2)O1 ZINC000100820436 GA Annotated Anodyne in-man O=C1CC[C@@H](Cc2ccc(O)c(O[C@@H]3[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]3O)c2)O1 ZINC000100820437 GA Annotated Anodyne in-man O=C1CC[C@@H](Cc2ccc(O)c(O[C@@H]3[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)c2)O1 ZINC000100820438 GA Annotated Anodyne in-man CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCO)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100823092 GA Annotated Mild O=COC[C@@H](CO[P@](=O)(O)OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)OC=O ZINC000100891746 GA Annotated Anodyne in-man CC(C)[C@]12C[C@@]3(O)[C@@]4(C)[C@H]1[C@]1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@]45O)[C@@]3(O)[C@]1(C)O2 ZINC000100898285 GA Annotated Anodyne in-vitro CC(C)[C@]12C[C@@]3(O)[C@@]4(C)[C@H]1[C@@]1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@]45O)[C@@]3(O)[C@]1(C)O2 ZINC000100898286 GA Annotated Anodyne in-vitro CC(C)[C@]12C[C@@]3(O)[C@@]4(C)[C@@H]1[C@]1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@]45O)[C@@]3(O)[C@]1(C)O2 ZINC000100898288 GA Annotated Anodyne in-vitro CC(C)[C@]12C[C@@]3(O)[C@@]4(C)[C@@H]1[C@@]1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@]45O)[C@@]3(O)[C@]1(C)O2 ZINC000100898289 GA Annotated Anodyne in-vitro CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCC(N)=O)C3=O)N1C[C@H]1N[C@H]12 ZINC000100997412 GA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCC(N)=O)C3=O)N1C[C@H]1N[C@H]12 ZINC000100997416 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000101211771 GA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000101211774 GA Annotated Mild 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 ZINC000101214199 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(CC[N+](=O)[O-])=C(N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000101231256 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCO)C3=O)N1C[C@H]1N[C@@H]12 ZINC000101236738 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000101366839 GA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000101366841 GA Annotated Mild COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@@H](N3C)[C@]1(OC)[C@@H]2COC(N)=O ZINC000101459088 GA Annotated Mild COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3[C@@H](N3C)[C@]1(OC)[C@@H]2COC(N)=O ZINC000101459090 GA Annotated Mild N[C@@H](CO)C(=O)OC[C@@H]1S[C@H](CC=O)S[C@@H]1COC(=O)[C@@H](N)CO ZINC000101812343 GA Annotated Mild CO[C@]12C[C@]3(C)O[C@H](O1)[C@]1(CO)[C@@H]2C[C@@]31O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000101981177 GA Annotated Anodyne C[C@H]1[C@@H](O)[C@@]2(O)OC[C@@]34[C@@H](C[C@H]5C=CC(=O)[C@@H](O)[C@]5(C)[C@@H]23)OC(=O)[C@H](O)[C@@]14O ZINC000101983132 GA Annotated Mild O=c1ccn([C@@]23C[C@H]2[C@@H]2CO[P@](=O)(O)O[P@](=O)(O)O[C@H]2[C@H]3O)c(=O)[nH]1 ZINC000102002517 GA 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@@]4(O)OC[C@]23[C@@H]14 ZINC000102032881 GA Annotated Anodyne C[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(=O)O ZINC000102839010 GA Annotated Anodyne COc1c(N[C@@H](CC(C)C)C(=O)NNC(=O)/C=C/S(C)(=O)=O)c(=O)c1=O ZINC000102896323 GA Annotated Reactive COC(=O)N1[C@H]2CN3C4=C(C(=O)C(N)=C(C)C4=O)[C@@H](COC(N)=O)[C@@]3(OC)[C@@H]21 ZINC000103108586 GA Annotated Mild CNC(=O)N1[C@H]2CN3C4=C(C(=O)C(N)=C(C)C4=O)[C@@H](COC(N)=O)[C@@]3(OC)[C@@H]21 ZINC000103110371 GA Annotated Mild N=C(N)NS(=O)(=O)c1ccc(NC(=O)C[n+]2cccc(C(N)=O)c2)cc1 ZINC000103223450 GA Annotated Mild N=C(N)NCCC[C@H](N)C(=O)NC[C@@H]1CC[C@]2(O1)[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O ZINC000103265902 GA Annotated Anodyne NCCCC[C@H](N)C(=O)N[C@@H]1C[C@H](N)[C@@]2(C[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O ZINC000103265916 GA Annotated Anodyne NCCCC[C@H](N)C(=O)N[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](O)[C@@H](O)CO2)[C@H](O)[C@H]1O ZINC000103266665 GA Annotated Anodyne NCCCC[C@H](N)CN[C@@H]1C[C@H](N)[C@@]2(CC[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O ZINC000103266679 GA Annotated Anodyne NCCCC[C@H](N)CN[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](O)[C@@H](O)CO2)[C@H](O)[C@H]1O ZINC000103266688 GA Annotated Anodyne Cn1c(=O)c2c(ncn2Cc2cn(C[C@@H](O)P(=O)(O)O)nn2)n(C)c1=O ZINC000103278355 GA Annotated Anodyne Cn1c(=O)c2c(ncn2Cc2cn(C[C@H](O)P(=O)(O)O)nn2)n(C)c1=O ZINC000103278357 GA Annotated Anodyne Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)[C@@H]1NC(=O)NC(=O)C1=N2 ZINC000103567694 GA Annotated Anodyne in-vitro biogenic C[C@]12C[C@@]3(O)O[C@H](O1)[C@@]1(CO)[C@@H]3C[C@@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000103579767 GA Annotated Anodyne in-vitro biogenic C[C@@]12C[C@@]3(O)O[C@H](O1)[C@@]1(CO)[C@@H]3C[C@@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000103579770 GA Annotated Anodyne in-vitro biogenic C[C@]12C[C@@]3(O)O[C@H](O1)[C@@]1(CO)[C@@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000103579773 GA Annotated Anodyne in-vitro biogenic C[C@@]12C[C@@]3(O)O[C@H](O1)[C@@]1(CO)[C@@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000103579776 GA Annotated Anodyne in-vitro biogenic OC[C@H]1O[C@@H](O[C@@H]2C[C@@H]3C[C@@H]4[C@H](O)[C@@H](Cl)[C@](O)(OO3)[C@@H]42)[C@H](O)[C@@H](O)[C@@H]1O ZINC000103581286 GA Annotated Reactive in-vitro biogenic CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2[C@]13C ZINC000103885229 GA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@]13C ZINC000103885233 GA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]3[C@@H](O)[C@H](O)[C@H](C)[C@@]4(O)[C@@H](O)C(=O)O[C@H](C[C@H]12)[C@@]34C ZINC000103885238 GA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@]2(C)[C@@H]1C[C@H]1OC(=O)[C@H](O)[C@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@]13C ZINC000103885244 GA Annotated Anodyne CC1=C2C[C@H]3OC(=O)[C@H](O)[C@]4(O)[C@@H](C)[C@@H](O)[C@H](O)[C@@H]([C@]2(C)[C@H](O)[C@@H](O)C1)[C@]34C ZINC000103886973 GA Annotated Anodyne CC1=C2C[C@H]3OC(=O)[C@H](O)[C@]4(O)[C@@H](C)[C@@H](O)[C@H](O)[C@H]([C@]2(C)[C@H](O)[C@@H](O)C1)[C@]34C ZINC000103886978 GA Annotated Anodyne C=C1[C@H](O)[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=C[C@@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104365716 GA Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104365728 GA Annotated Mild in-man CC(C)[C@]12C[C@@]3(O)[C@@]4(C)[C@H]1[C@]1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@@]45O)[C@]3(O)[C@@]1(C)O2 ZINC000104371325 GA Annotated Anodyne in-man CC(C)[C@]12C[C@@]3(O)[C@@]4(C)[C@H]1[C@]1(O)O[C@](O)([C@]5(O)[C@@H](C)CC[C@@]45O)[C@]3(O)[C@@]1(C)O2 ZINC000104371329 GA Annotated Anodyne in-man CC(C)[C@]12C[C@@]3(O)[C@@]4(C)[C@H]1[C@]1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@]45O)[C@]3(O)[C@@]1(C)O2 ZINC000104371334 GA Annotated Anodyne in-man CC(C)[C@]12C[C@@]3(O)[C@@]4(C)[C@H]1[C@]1(O)O[C@](O)([C@]5(O)[C@@H](C)CC[C@]45O)[C@]3(O)[C@@]1(C)O2 ZINC000104371339 GA Annotated Anodyne in-man NC1=N[C@]23[C@H](N1)[C@H](COC(=O)NS(=O)(=O)O)N=C(N)N2CCC3(O)O ZINC000104939266 GA Annotated Anodyne in-man biogenic CO[C@@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@@H]2COC(=O)NCCO ZINC000105223114 GA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@@H]2COC(=O)NCCO ZINC000105223118 GA Annotated Mild O=S1(=O)N[C@@H]2CC[C@@H]3NS(=O)(=O)N[C@H]4CC[C@H](N1)N4S(=O)(=O)N23 ZINC000105391210 GA Annotated Anodyne Cn1c(N)nc(=O)c2c1N([C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)CN2Cc1ccccc1 ZINC000105472190 GA Annotated Anodyne COC(=O)/C=C/C(=O)[C@H]1[C@H](C(=O)OC)[C@@]2(C(=O)OC)CC[C@@]1(C(=O)OC)N2 ZINC000105480442 GA Annotated Mild CC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 ZINC000114406551 GA Annotated Anodyne C/C(O)=N\[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@@H](O)[C@H]1O ZINC000012494159 GA Annotated Mild world endogenous C/C(O)=N\[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1OC(C(=O)O)=C[C@@H](O)[C@H]1O ZINC000012494166 GA Annotated Mild world endogenous O=C(O)CCc1nc2c(=O)[nH]c(=O)[nH]c2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1=O ZINC000012504250 GA Annotated Anodyne in-vitro Cc1cccc2c1/C(=N/NC(N)=S)C(=O)N2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013110605 GA Annotated Mild Cc1cccc2c1/C(=N/NC(N)=S)C(=O)N2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013110606 GA Annotated Mild COC1=C/C(=C/NNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C=CC1=O ZINC000013122655 GA Annotated Reactive COC1=CC(=CNNC(=O)[C@@H](C)Nc2n[nH]c(=O)[nH]c2=O)C=C(OC)C1=O ZINC000013125323 GA Annotated Reactive COC1=CC(=CNNC(=O)[C@H](C)Nc2n[nH]c(=O)[nH]c2=O)C=C(OC)C1=O ZINC000013125324 GA Annotated Reactive COC1=CC(=CNNC(=O)CSc2n[nH]c(=O)[nH]c2=O)C=C(OC)C1=O ZINC000013130380 GA Annotated Reactive CC(C)CC(=O)O[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013370604 GA Annotated Anodyne in-man CC(C)CC(=O)O[C@@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013370607 GA Annotated Anodyne in-man CC(C)CC(=O)O[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013370609 GA Annotated Anodyne in-man CC(C)CC(=O)O[C@@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013370612 GA Annotated Anodyne in-man CC(C)=CC(=O)O[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013370615 GA Annotated Anodyne in-man CC(C)=CC(=O)O[C@@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013370617 GA Annotated Anodyne in-man CC(C)=CC(=O)O[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013370619 GA Annotated Anodyne in-man CC(C)=CC(=O)O[C@@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013370621 GA Annotated Anodyne in-man C[C@H](O)[C@@H](C)O[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013380244 GA Annotated Anodyne in-man C[C@@H](O)[C@@H](C)O[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013380245 GA Annotated Anodyne in-man C[C@H](O)[C@H](C)O[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013380246 GA Annotated Anodyne in-man C[C@H](O[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H](C)O ZINC000013380247 GA Annotated Anodyne in-man CCCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013380438 GA Annotated Mild in-man CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000013380439 GA Annotated Mild in-man CCCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013380440 GA Annotated Mild in-man CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000013380441 GA Annotated Mild in-man C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000013525757 GA Annotated Mild in-vitro C=C[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000013525765 GA Annotated Mild in-vitro N[C@@H](CNC(=O)CN1CCc2ccc(N3CCNCC3)cc2C1=O)C(=O)O ZINC000013760115 GA Annotated Anodyne C#C[C@H](CC(=O)O)NC(=O)Cn1c(=O)[nH]c2ccc(N3CCNCC3)cc2c1=O ZINC000013760125 GA Annotated Mild Cc1nn(C)c(SCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S(=O)(=O)O)nc1=O ZINC000013781315 GA Annotated Anodyne C[C@@H]1O[C@@H](OC2[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@@H]2O)[C@@H](N)C[C@@H]1/N=C(\N)C(=O)O ZINC000013783511 GA Annotated Mild C[C@H]1O[C@@H](OC2[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@@H]2O)[C@@H](N)C[C@@H]1/N=C(\N)C(=O)O ZINC000013783512 GA Annotated Mild COC(=O)c1ccc(CN2[C@H](C(=O)OC)C[C@@]3(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@@H]23)cc1 ZINC000013813009 GA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)[C@@H](C)C4(OCCO4)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000013884858 GA Annotated Mild C[C@@H]1C(=O)C2=C(C(=O)C13OCCO3)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C ZINC000013884859 GA Annotated Mild Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)C[S@@](=O)C[S@@](C)=O ZINC000013910162 GA Annotated Anodyne C[C@H]1[C@@H](OS(=O)(=O)O)C[C@@H]2C[C@H](Cc3cc(=O)[nH]c(=O)[nH]3)NC3=NC[C@H]1N32 ZINC000135978492 GA Annotated Anodyne in-vitro CCC(=O)N[C@@H]1[C@@H](CO)O[C@H](O[C@@H]([C@@H](O)CN)[C@H](N)[C@H](O)CO)[C@H](O)[C@H]1O ZINC000136271896 GA Annotated Anodyne CCC(=O)N[C@@H]1[C@@H](CO)O[C@H](O[C@H]([C@@H](O)CN)[C@H](N)[C@H](O)CO)[C@H](O)[C@H]1O ZINC000136271938 GA Annotated Anodyne CC1=C[C@@H]2[C@@](O)([C@H]1O)[C@H](O)[C@](O)(CO)[C@@H]1OC(C)(C)[C@@H]3C(=O)C[C@@H](C)[C@@]2(O)[C@H]31 ZINC000136357539 GA Annotated Anodyne O=C(O)[C@]1(OP(=O)(O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)COP(=O)(O)O)O1 ZINC000136560918 GA Annotated Anodyne OC/C=C/C#CC#C/C=C/[C@@H](CCCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000137797637 GA Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@H]3[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2[C@]31C ZINC000138310472 GA 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 ZINC000138389883 GA Annotated Mild CC[C@@H](C)/C=C/[C@@H](O)[C@H](O)[C@@H](O)[C@@H](OC)C(=O)N[C@H]1CC[C@H](O)CNC1=O ZINC000138544453 GA Annotated Anodyne COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(OC)[C@@H]2COC(N)=O ZINC000139290545 GA Annotated Mild [N-]=[N+]=NC[C@H](O)Cn1c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2[nH]c(N)nc(=O)c21 ZINC000139439976 GA Annotated Clean CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000139902037 GA Annotated Mild CCC1(CC)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 ZINC000014277379 GA Annotated Mild C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014444719 GA Annotated Mild in-man C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014444721 GA Annotated Mild in-man C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014444723 GA Annotated Mild in-man C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014444725 GA Annotated Mild in-man CC(C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@](CO)([C@@H](O)CO)O1 ZINC000014487274 GA Annotated Anodyne in-man CC(C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@](CO)([C@@H](O)CO)O1 ZINC000014487276 GA Annotated Anodyne in-man CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@](CO)([C@@H](O)CO)O1 ZINC000014487278 GA Annotated Anodyne in-man CC(C)(O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@](CO)([C@@H](O)CO)O1 ZINC000014487279 GA Annotated Anodyne in-man CC(C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014491424 GA Annotated Mild in-man CC(C)(O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014491426 GA Annotated Mild in-man CC(C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014491428 GA Annotated Mild in-man CC(C)(O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014491430 GA Annotated Mild in-man 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 ZINC000141106142 GA Annotated Mild C[C@@H](O)[C@H]1OC(=O)C=C2[C@@]3(C)[C@H](O)[C@@H](O)[C@H](O)[C@]4(C)C(=O)O[C@H]([C@H]5O[C@@]251)[C@H]34 ZINC000144204250 GA Annotated Anodyne C[C@@H](O)[C@H]1OC(=O)C=C2[C@@]3(C)[C@@H](O)[C@H](O)[C@H](O)[C@]4(C)C(=O)O[C@H]([C@H]5O[C@@]251)[C@H]34 ZINC000144204457 GA Annotated Anodyne C[C@](O)(CO)[C@H]1OC(=O)C=C2[C@@]3(C)[C@@H]4O[C@@H]4[C@@H](O)[C@]4(C)C(=O)O[C@H]([C@H]5O[C@@]251)[C@H]34 ZINC000144215038 GA Annotated Anodyne C[C@]12C3=CC(=O)O[C@H]([C@H](O)CO)[C@]34O[C@@H]4[C@H]3OC(=O)[C@@](C)([C@@H](O)[C@H]4O[C@H]41)[C@H]32 ZINC000144227373 GA Annotated Anodyne C[C@](O)(CO)[C@H]1OC(=O)C=C2[C@@]3(C)[C@@H]4O[C@@H]4[C@H](O)[C@]4(C)C(=O)O[C@H]([C@H]5O[C@@]251)[C@H]34 ZINC000144241887 GA Annotated Anodyne C[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014507092 GA Annotated Mild in-man C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014507095 GA Annotated Mild in-man C[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014507098 GA Annotated Mild in-man C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014507100 GA Annotated Mild in-man COc1cc(CCCO)ccc1O[C@@H](CO)CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014507214 GA Annotated Anodyne in-man COc1cc(CCCO)ccc1O[C@H](CO)CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014507217 GA Annotated Anodyne in-man COc1cc(CCCO)ccc1O[C@@H](CO)CO[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014507220 GA Annotated Anodyne in-man COc1cc(CCCO)ccc1O[C@H](CO)CO[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014507223 GA Annotated Anodyne in-man CC(C)=CCO[C@@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590702 GA Annotated Anodyne in-man CC(C)=CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590703 GA Annotated Anodyne in-man CC(C)=CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590704 GA Annotated Anodyne in-man CC(C)=CCO[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590705 GA Annotated Anodyne in-man CC(C)=CCO[C@@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590706 GA Annotated Anodyne in-man endogenous CC(C)=CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590707 GA Annotated Anodyne in-man endogenous CC(C)=CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590708 GA Annotated Anodyne in-man endogenous CC(C)=CCO[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590709 GA Annotated Anodyne in-man endogenous C=C(C)CCO[C@@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590719 GA Annotated Mild in-man endogenous C=C(C)CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590720 GA Annotated Mild in-man endogenous C=C(C)CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590721 GA Annotated Mild in-man endogenous C=C(C)CCO[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590722 GA Annotated Mild in-man endogenous CC(C)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014593069 GA Annotated Mild in-man CC(C)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014593070 GA Annotated Mild in-man CC(C)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014593071 GA Annotated Mild in-man CC(C)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014593072 GA Annotated Mild in-man CSCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014593585 GA Annotated Mild in-man CSCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014593586 GA Annotated Mild in-man CSCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014593587 GA Annotated Mild in-man CSCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014593588 GA Annotated Mild in-man N=C1N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CCC(O)(O)[C@@]23N1 ZINC000014691900 GA Annotated Anodyne in-man biogenic O=C1C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](OC(=O)Cc3ccc(O)cc3)[C@H](O)[C@@H]2O)CO1 ZINC000014720055 GA Annotated Anodyne in-man endogenous O=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](OC(=O)Cc3ccc(O)cc3)[C@H](O)[C@@H]2O)CO1 ZINC000014720057 GA Annotated Anodyne in-man endogenous O=C1C[C@H](O[C@H]2O[C@@H](CO)[C@@H](OC(=O)Cc3ccc(O)cc3)[C@H](O)[C@@H]2O)CO1 ZINC000014720059 GA Annotated Anodyne in-man endogenous O=C1C[C@H](O[C@H]2O[C@H](CO)[C@@H](OC(=O)Cc3ccc(O)cc3)[C@H](O)[C@@H]2O)CO1 ZINC000014720061 GA Annotated Anodyne in-man endogenous CC(C)CC(=O)O[C@@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014854255 GA Annotated Anodyne in-man CC(C)CC(=O)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014854258 GA Annotated Anodyne in-man CC(C)CC(=O)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014854261 GA Annotated Anodyne in-man CC(C)CC(=O)O[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014854264 GA Annotated Anodyne in-man CC(C)=CC(=O)O[C@@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014854267 GA Annotated Anodyne in-man CC(C)=CC(=O)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014854270 GA Annotated Anodyne in-man CC(C)=CC(=O)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014854273 GA Annotated Anodyne in-man CC(C)=CC(=O)O[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014854276 GA Annotated Anodyne in-man C[C@@H](O)[C@@H](C)O[C@@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014916905 GA Annotated Anodyne in-man C[C@H](O)[C@@H](C)O[C@@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014916907 GA Annotated Anodyne in-man C[C@H](O[C@@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)O ZINC000014916909 GA Annotated Anodyne in-man C[C@H](O)[C@H](C)O[C@@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014916911 GA Annotated Anodyne in-man CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014917003 GA Annotated Mild in-man CCCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014917005 GA Annotated Mild in-man C[C@@H]1O[C@@H]1C(=O)[C@@]1(O)[C@@H](C)[C@@H](O)[C@@]23O[C@@]2([C@@H](O)c2c(O)cccc2C3=O)[C@@H]1O ZINC000014922436 GA Annotated Anodyne C[C@H]1[C@@H](O)[C@@]23O[C@@]2([C@@H](O)c2c(O)cccc2C3=O)[C@H](O)[C@@]1(O)C(=O)[C@H]1O[C@@H]1C ZINC000014922438 GA Annotated Anodyne C[C@@H]1O[C@H]1C(=O)[C@@]1(O)[C@@H](C)[C@@H](O)[C@@]23O[C@@]2([C@@H](O)c2c(O)cccc2C3=O)[C@@H]1O ZINC000014922442 GA Annotated Anodyne C[C@H]1[C@@H](O)[C@@]23O[C@@]2([C@@H](O)c2c(O)cccc2C3=O)[C@H](O)[C@@]1(O)C(=O)[C@@H]1O[C@@H]1C ZINC000014922446 GA Annotated Anodyne OC[C@H]1O[C@@H](O[C@@H]2O[C@@H]3C[C@H]4[C@H](O)[C@@H](Cl)[C@@](O)(CO3)[C@@H]24)[C@H](O)[C@@H](O)[C@@H]1O ZINC000147061111 GA Annotated Unstable CC[C@@H](C)/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000149106730 GA Annotated Mild CCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000149107582 GA Annotated Mild in-vitro O=S1(=O)N[C@@H]2CC[C@@H]3NS(=O)(=O)N[C@@H]4CC[C@H](N1)N4S(=O)(=O)N23 ZINC000001572807 GA Annotated Anodyne Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1N ZINC000001617078 GA Annotated Bother COCn1c(=O)n(C)c(=O)c2c1nc1c(c(=O)n(C)c(=O)n1COC)[n+]2[O-] ZINC000001645628 GA Annotated Bother 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 ZINC000001721495 GA Annotated Mild O=C1NC(=S)NC(=O)C1C(c1ccc(O)cc1)C1C(=O)NC(=S)NC1=O ZINC000001863757 GA Annotated Anodyne CC(=O)O[C@@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)O)[C@@H](OC(C)=O)C(=O)O ZINC000015249305 GA Annotated Anodyne COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O ZINC000015249366 GA Annotated Clean in-man COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O ZINC000015249369 GA Annotated Clean in-man COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O ZINC000015249372 GA Annotated Clean in-man COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O ZINC000015249375 GA Annotated Clean in-man COC(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O ZINC000015249378 GA Annotated Clean in-man COC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O ZINC000015249382 GA Annotated Clean in-man COC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O ZINC000015249385 GA Annotated Clean in-man COC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O ZINC000015249388 GA Annotated Clean in-man COC(=O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)OC ZINC000015249391 GA Annotated Clean in-man COC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)OC ZINC000015249394 GA Annotated Clean in-man COC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)OC ZINC000015249397 GA Annotated Clean in-man COC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)OC ZINC000015249400 GA Annotated Clean in-man OC[C@H]1O[C@H](NC2=N[C@@H]3[C@H](S2)[C@@H](O)[C@H](O)[C@]3(O)CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000016052244 GA Annotated Anodyne O=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](O)[C@H](OC(=O)CC[N+](=O)[O-])[C@@H](O)[C@@H]1O ZINC000165586518 GA Annotated Bother CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC=[N+](C)C)C3=O)N1C[C@H]1N[C@H]12 ZINC000169306193 GA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(NC=[N+](C)C)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169306195 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC=[N+](C)C)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169306196 GA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(NC=[N+](C)C)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169306197 GA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OCCO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169309722 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169309723 GA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OCCO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169309725 GA Annotated Mild CO[C@H]1O[C@H](COC2=CC(=O)c3c(O)ccc(O)c3C2=O)[C@@H](O)[C@H](O)[C@H]1O ZINC000169310500 GA Annotated Mild CO[C@]12[C@@H]3[C@@H](CN1C1=C(C(=O)C(OCCO)=C(C)C1=O)[C@@H]2COC(N)=O)N3C ZINC000169311001 GA Annotated Mild CO[C@]12[C@@H]3[C@H](CN1C1=C(C(=O)C(OCCO)=C(C)C1=O)[C@@H]2COC(N)=O)N3C ZINC000169311003 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@H]1[C@H]2N1C ZINC000169311004 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCN)C3=O)N1C[C@H]1N[C@H]12 ZINC000169311282 GA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(NCCCN)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169311284 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCN)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169311286 GA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(NCCCN)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169311287 GA Annotated Mild C[C@@H]1O[C@@H](OCCCCCCNC(=O)CNC(=O)[C@@H](C)N)[C@@H](O)[C@H](O)[C@@H]1O ZINC000169313794 GA Annotated Anodyne C[C@@H](N)C(=O)NCC(=O)NCCCCCCO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169313795 GA Annotated Anodyne C[C@@H](N)C(=O)NCC(=O)NCCCCCCO[C@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169313796 GA Annotated Anodyne CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(NCCCO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169321169 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169321172 GA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(NCCCO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169321175 GA Annotated Mild CCCN[C@@H]1[C@@H](CO)O[C@H](O[C@H]([C@@H](O)CN)[C@H](N)[C@H](O)CO)[C@H](O)[C@H]1O ZINC000169324667 GA Annotated Anodyne O=C(O)[C@@]1(OP(=O)(O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)COP(=O)(O)O)O1 ZINC000169342476 GA Annotated Anodyne O=C(O)[C@@]1(OP(=O)(O)O)C[C@H](O)[C@@H](O)[C@@H]([C@H](O)COP(=O)(O)O)O1 ZINC000169342478 GA Annotated Anodyne O=C(O)[C@]1(OP(=O)(O)O)C[C@H](O)[C@@H](O)[C@@H]([C@H](O)COP(=O)(O)O)O1 ZINC000169342480 GA Annotated Anodyne CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(/N=C/N(C)C)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169368745 GA Annotated Mild 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 ZINC000169368746 GA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(/N=C/N(C)C)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169368747 GA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OCCCO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169369575 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169369576 GA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OCCCO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169369577 GA Annotated Mild O=C(O)[C@H]1[C@H]2C(=O)N(CO)C(=O)[C@H]2[C@H](C(=O)O)[C@@H]2[C@H]1[C@@H]1C(=O)N(CO)C(=O)[C@@H]12 ZINC000169369922 GA Annotated Anodyne O=C(O)[C@@H]1[C@H]2C(=O)N(CO)C(=O)[C@H]2[C@H](C(=O)O)[C@@H]2[C@H]1[C@@H]1C(=O)N(CO)C(=O)[C@@H]12 ZINC000169369923 GA Annotated Anodyne O=C(O)[C@H]1[C@H]2C(=O)N(CO)C(=O)[C@H]2[C@H](C(=O)O)[C@H]2[C@H]3C(=O)N(CO)C(=O)[C@H]3[C@H]12 ZINC000169369924 GA Annotated Anodyne O=C(O)[C@@H]1[C@H]2C(=O)N(CO)C(=O)[C@H]2[C@H](C(=O)O)[C@H]2[C@H]3C(=O)N(CO)C(=O)[C@H]3[C@H]12 ZINC000169369925 GA Annotated Anodyne CC(=O)OC[C@H](CO[P@@](=O)(O)O[C@@H](CN)[C@H](O)[C@H](O)CO)OC(C)=O ZINC000169627025 GA Annotated Anodyne CC(=O)OC[C@H](CO[P@@](=O)(O)O[C@H](CN)[C@H](O)[C@H](O)CO)OC(C)=O ZINC000169627026 GA Annotated Anodyne C[C@H](O)[C@@H]1C[C@@]2(OC1=O)[C@H]1O[C@@H]3[C@H](O)[C@@H]4[C@H](C(=O)OC4(C)C)[C@](O)([C@H]1O)[C@@]32C ZINC000169656394 GA Annotated Anodyne Cc1cccc2c1/C(=N/NC(N)=S)C(=O)N2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169691818 GA Annotated Mild Cc1cccc2c1/C(=N/NC(N)=S)C(=O)N2[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169691819 GA Annotated Mild O=S1(=O)N[C@@H]2CC[C@H]3NS(=O)(=O)N[C@H]4CC[C@H](N1)N4S(=O)(=O)N23 ZINC000017124433 GA Annotated Anodyne O=C(O)[C@H]1[C@H]2C(=O)N(CO)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]2[C@@H]3C(=O)N(CO)C(=O)[C@@H]3[C@@H]12 ZINC000017142509 GA Annotated Anodyne O=C(O)[C@H]1[C@H]2C(=O)N(CO)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]2[C@@H]3C(=O)N(CO)C(=O)[C@H]3[C@@H]12 ZINC000017142510 GA Annotated Anodyne O=C(O)[C@H]1[C@H]2C(=O)N(CO)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]2[C@H]3C(=O)N(CO)C(=O)[C@H]3[C@H]12 ZINC000017142511 GA Annotated Anodyne O=C(O)[C@H]1[C@H]2C(=O)N(CO)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]2[C@@H]3C(=O)N(CO)C(=O)[C@H]3[C@H]12 ZINC000017142512 GA Annotated Anodyne COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2C(=O)[C@H]3[C@H](C(=O)OC)[C@H](C(=O)OC)[C@H]3C(=O)[C@H]12 ZINC000017191315 GA Annotated Anodyne COC(=O)[C@H]1[C@H]2C(=O)[C@H]3[C@H](C(=O)OC)[C@H](C(=O)OC)[C@H]3C(=O)[C@@H]2[C@H]1C(=O)OC ZINC000017191318 GA Annotated Anodyne COC(=O)[C@H]1[C@H]2C(=O)[C@@H]3[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@@H]3C(=O)[C@@H]2[C@H]1C(=O)OC ZINC000017191322 GA Annotated Anodyne COC(=O)[C@@H]1[C@H](C(=O)OC)[C@H]2C(=O)[C@H]3[C@H](C(=O)[C@@H]12)[C@@H](C(=O)OC)[C@@H]3C(=O)OC ZINC000017191326 GA Annotated Anodyne NCC(=O)N[C@H](CCC[C@H](NC(=O)CN)P(=O)(O)O)P(=O)(O)O ZINC000017194482 GA Annotated Anodyne C=CCC[C@]1(O)[C@H](O)[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](CO)[C@H]1O ZINC000017261406 GA Annotated Mild C=CCC[C@]1(O)[C@H](O)[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O ZINC000017261410 GA Annotated Mild NCCNC(=O)CN(CC(=O)O)[C@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O ZINC000019362769 GA Annotated Anodyne C[C@@H]1O[C@H](NCCNCCN[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O ZINC000019366772 GA Annotated Anodyne NCCNC(=O)CN(CC(=O)O)[C@@H]1CCCC[C@H]1N(CC(=O)O)CC(=O)O ZINC000019369653 GA Annotated Anodyne COCC1=C(OC)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000195042167 GA Annotated Mild COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3[C@H](N3C)[C@]1(OC)[C@@H]2COC(N)=O ZINC000195239051 GA Annotated Mild CCN1CCN(C(=O)N[C@@H](C(=O)NCB(O)O)c2ccc(O)cc2)C(=O)C1=O ZINC000195377924 GA Annotated Reactive O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C\c1ccc(Cl)cc1 ZINC000195428480 GA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C\c1ccc(Cl)cc1 ZINC000195428486 GA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C\c1ccc(Cl)cc1 ZINC000195428492 GA 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 ZINC000195456771 GA Annotated Mild Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195459928 GA Annotated Mild Cc1ccc(/C=C2/N/C(=N\N=C/[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195459934 GA Annotated Mild Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195459939 GA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C/c1ccc(Cl)cc1 ZINC000195466376 GA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C/c1ccc(Cl)cc1 ZINC000195466380 GA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C/c1ccc(Cl)cc1 ZINC000195466385 GA Annotated Mild COC(=O)/C=C/C(=O)[C@@H]1[C@@H](C(=O)OC)[C@@]2(C(=O)OC)CC[C@@]1(C(=O)OC)N2 ZINC000195474210 GA Annotated Mild COC(=O)/C=C/C(=O)[C@H]1[C@@H](C(=O)OC)[C@@]2(C(=O)OC)CC[C@@]1(C(=O)OC)N2 ZINC000195474213 GA Annotated Mild COC(=O)/C=C/C(=O)[C@@H]1[C@H](C(=O)OC)[C@@]2(C(=O)OC)CC[C@@]1(C(=O)OC)N2 ZINC000195474217 GA Annotated Mild COc1ccc(/C=C2\N/C(=N\N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195482802 GA Annotated Mild COc1ccc(/C=C2\N/C(=N\N=C/[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195482805 GA Annotated Mild COc1ccc(/C=C2\N/C(=N\N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195482807 GA Annotated Mild COc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195482847 GA Annotated Mild COc1ccc(/C=C2/N/C(=N\N=C/[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195482851 GA Annotated Mild COc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195482854 GA Annotated Mild N=C1N(O)[C@@H](COC(=O)NS(=O)(=O)O)[C@H]2N=C(N)N[C@@]23N1CCC3(O)O ZINC000196380560 GA Annotated Anodyne in-man biogenic N=C1N(O)[C@@H](COC(=O)NS(=O)(=O)O)[C@H]2N=C(N)N[C@]23N1CCC3(O)O ZINC000196380571 GA Annotated Anodyne NCCCCN(CCCN)CCCC[C@]12B3B4B5B6B3B6[C@@]1(CCN)B5B1B4B12 ZINC000197968446 GA Annotated Anodyne NCCCCN(CCCN)CCCC[C@@]12B3B4B5B6B7B(B51)B7[C@@]2(CCN)B6B43 ZINC000197968453 GA Annotated Anodyne NCCCCN(CCCN)CCCC[C@]12B3B4B5B6B3B6[C@]1(CCN)B5B1B4B12 ZINC000197968459 GA Annotated Anodyne NCCCCN(CCCN)CCCC[C@@]12B3B4B5B6B3B6[C@]1(CCN)B5B1B4B12 ZINC000197968469 GA Annotated Anodyne NCCCNCCCCN(CCCN)CCCC[C@]12B3B4B5B6B3B6[C@@H]1B5B1B4B12 ZINC000197968548 GA Annotated Anodyne NCCCNCCCCN(CCCN)CCCC[C@]12B3B4B5B6B3B6[C@H]1B5B1B4B12 ZINC000197968552 GA Annotated Anodyne NCCCNCCCCN(CCCN)CCCC[C@@]12B3B4B5B6B3B6[C@@H]1B5B1B4B12 ZINC000197968557 GA Annotated Anodyne NCCCNCCCCN(CCCN)CCCC[C@@]12B3B4B5B6B3B6[C@H]1B5B1B4B12 ZINC000197968565 GA Annotated Anodyne CCn1ccn(C(=O)N[C@@H](C(=O)NCB(O)O)c2ccc(O)cc2)c(=O)c1=O ZINC000198032142 GA Annotated Reactive in-vitro OC[C@H](O)/C=C/C=C/C#CC#C/C=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000199488994 GA Annotated Mild OCCCC[C@@H](O)CCC#CC#C/C=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000199489009 GA Annotated Mild OCC[C@H](O)CC/C=C/C#CC#C/C=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000199491056 GA Annotated Mild OCC[C@H](O)CC/C=C\C#CC#C/C=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000199491067 GA Annotated Mild OCC[C@H](O)CC/C=C/C#CC#C/C=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000199491080 GA Annotated Mild OCC[C@H](O)CC/C=C\C#CC#C/C=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000199491092 GA Annotated Mild C[C@H]1NCC(COP(=O)(O)O)=C(CN[C@@H](/C=C/OCCN)C(=O)O)C1=O ZINC000002047170 GA Annotated Mild in-vitro C[C@H]1NCC(COP(=O)(O)O)=C(CN[C@H](/C=C/OCCN)C(=O)O)C1=O ZINC000002047172 GA Annotated Mild in-vitro CC(C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000200067557 GA Annotated Mild in-man O=C(c1ccco1)[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000200663455 GA Annotated Anodyne CNS(=O)(=O)c1cn(CC(=O)N2CCN(C)CC2)cc1S(=O)(=O)NC ZINC000020565461 GA Annotated Anodyne C[C@H](NCCC1OCC(C)(C)CO1)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000209652853 GA Annotated Anodyne C[C@H](NCCC1OCC(C)(C)CO1)C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000209652920 GA Annotated Anodyne COCCN1C(=O)NC(=O)[C@H](C(=O)NS(=O)(=O)c2ccc(C)cc2)[C@@H]1N ZINC000214905154 GA Annotated Anodyne COCCN1C(=O)NC(=O)[C@@H](C(=O)NS(=O)(=O)c2ccc(C)cc2)[C@@H]1N ZINC000214905200 GA Annotated Anodyne COCCN1C(=O)NC(=O)[C@H](C(=O)NS(=O)(=O)c2ccc(C)cc2)[C@H]1N ZINC000214905255 GA Annotated Anodyne COCCN1C(=O)NC(=O)[C@@H](C(=O)NS(=O)(=O)c2ccc(C)cc2)[C@H]1N ZINC000214905292 GA Annotated Anodyne C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2)[C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2C1 ZINC000215088783 GA Annotated Anodyne CC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)N(C)C1 ZINC000219224306 GA Annotated Anodyne O=[P@](O)(O[C@H]1[C@H](O)[C@@](O)(CO)O[C@@H]1CO)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1O ZINC000219964799 GA Annotated Anodyne in-vitro O=[P@](O)(O[C@H]1[C@H](O)[C@@](O)(CO)O[C@@H]1CO)O[C@H]1[C@@H](O)OC[C@H](O)[C@@H]1O ZINC000219964852 GA Annotated Anodyne in-vitro CC(=O)N[C@@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@H](O)[C@@H]2NC(C)=O)O[C@@H](C)[C@@H](O)[C@H]1O ZINC000219969615 GA Annotated Anodyne in-vitro CC(=O)N[C@@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@@H](O)[C@@H]2NC(C)=O)O[C@@H](C)[C@@H](O)[C@H]1O ZINC000219969663 GA Annotated Anodyne in-vitro O=C(O)CN1CCNCCN(CC(=O)O)CCN(CC(=O)O)CCNCC1 ZINC000022026333 GA Annotated Anodyne NCCNC(=O)CN(CC(=O)O)[C@H]1CCCC[C@@H]1N(CC(=O)O)CC(=O)O ZINC000022026381 GA Annotated Anodyne NCCNC(=O)CN(CC(=O)O)[C@@H]1CCCC[C@@H]1N(CC(=O)O)CC(=O)O ZINC000022034087 GA Annotated Anodyne Nc1nc(N2CCOCC2)c2ncn(CC(=O)NCCCC(=O)NO)c2n1 ZINC000221275146 GA Annotated Bother CC[C@@](C)(C#N)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000221516213 GA Annotated Mild C=C(C)[C@]1(O)C[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)[C@H](O)[C@@]3(CO)O[C@H]3[C@H]2[C@H]1O ZINC000222774848 GA Annotated Mild O=C1C=Cc2c/c(=C3/C=CC=CN3)c(=O)oc2=C1CN1CCN(CCO)CC1 ZINC000022862970 GA Annotated Mild N#C[C@H](CN[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)N[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O ZINC000022924473 GA Annotated Mild in-man N#C[C@H](CN[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)N[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O ZINC000022924478 GA Annotated Mild in-man N#C[C@H](CN[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)N[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O ZINC000022924484 GA Annotated Mild in-man N#C[C@H](CN[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000022924488 GA Annotated Mild in-man C=C[C@H](O)C/C(=N/OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000227596967 GA Annotated Mild in-vitro N#C[C@@H](CN[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000023359528 GA Annotated Mild in-man N#C[C@@H](CN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000023359530 GA Annotated Mild in-man N#C[C@@H](CN[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000023359533 GA Annotated Mild in-man N#C[C@@H](CN[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000023359536 GA Annotated Mild in-man O=C1CC[C@@H](Cc2ccc(O)c(O[C@H]3[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]3C(=O)O)c2)O1 ZINC000230064248 GA Annotated Anodyne in-man O=C1CC[C@@H](Cc2ccc(O)c(O[C@@H]3[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]3O)c2)O1 ZINC000230064252 GA Annotated Anodyne in-man O=C1CC[C@@H](Cc2ccc(O)c(O[C@@H]3[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]3O)c2)O1 ZINC000230064257 GA Annotated Anodyne in-man O=C1C[C@H](O[C@H]2O[C@H](CO)[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H](O)[C@H]2O)CO1 ZINC000230066644 GA Annotated Anodyne in-man O=C1C[C@H](O[C@H]2O[C@H](CO)[C@@H](OC(=O)Cc3ccc(O)cc3)[C@@H](O)[C@H]2O)CO1 ZINC000230066647 GA Annotated Anodyne in-man O=C1C[C@H](O[C@H]2O[C@H](CO)[C@H](OC(=O)Cc3ccc(O)cc3)[C@H](O)[C@H]2O)CO1 ZINC000230066656 GA Annotated Anodyne in-man O=C1C[C@H](O[C@H]2O[C@H](CO)[C@@H](OC(=O)Cc3ccc(O)cc3)[C@H](O)[C@H]2O)CO1 ZINC000230066659 GA Annotated Anodyne in-man C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230077944 GA Annotated Mild in-man C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230077951 GA Annotated Mild in-man C=C1[C@@H](O)[C@@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=C[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080563 GA Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=C[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080568 GA Annotated Mild in-man C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=C[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080573 GA Annotated Mild in-man C=C1[C@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=C[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080576 GA Annotated Mild in-man N#C[C@@H](CN[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230097599 GA Annotated Mild in-man N#C[C@H](CN[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230097605 GA Annotated Mild in-man N#C[C@@H](CN[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230097612 GA Annotated Mild in-man N#C[C@H](CN[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)N[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230097618 GA Annotated Mild in-man CC(=O)OC[C@H](CO[P@@](=O)(O)O[C@@H](CN)[C@@H](O)[C@@H](O)CO)OC(C)=O ZINC000231940878 GA Annotated Anodyne CC(=O)OC[C@H](CO[P@@](=O)(O)O[C@H](CN)[C@@H](O)[C@@H](O)CO)OC(C)=O ZINC000231940882 GA Annotated Anodyne CC[C@@H](O)/C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=[N+](\[O-])S(=O)(=O)O ZINC000238730673 GA Annotated Mild CC(C)CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238730681 GA 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](O)[C@H](O)[C@H]1O ZINC000238731509 GA Annotated Mild CC[C@H](C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238733055 GA Annotated Anodyne O=C(O)CCc1nc2c(=O)[nH]c(=O)[nH]c2n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c1=O ZINC000238733531 GA Annotated Anodyne CC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 ZINC000238733892 GA Annotated Anodyne C/C=C/C#CC#C[C@@H](O)[C@H](/C=C/CCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238734305 GA Annotated Mild NCCCC[C@H](NCC(=O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O)CO)C(=O)O ZINC000238734579 GA Annotated Anodyne C[C@H](N)[C@H]1CC[C@H](N)[C@@H](O[C@H]2[C@@H](N)[C@H](O)[C@H](O)[C@H](N(C)C(=O)CN)[C@@H]2O)O1 ZINC000238734773 GA Annotated Anodyne O=[P@@](O)(O[C@@H]1[C@H](O)[C@@](O)(CO)O[C@@H]1CO)O[C@H]1[C@H](O)OC[C@H](O)[C@H]1O ZINC000238735484 GA Annotated Anodyne CC(C)=CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238735726 GA Annotated Anodyne CN[C@@H]1[C@H](O)[C@@H](O[C@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H](NC(N)=O)C[C@H]1OC ZINC000238737220 GA Annotated Anodyne CC1=C2C=C[C@@]34CO[C@]5(C)[C@@H](OC(=O)C[C@@]53O)[C@H](O)[C@@H]4[C@@]2(C)[C@H](O)[C@@H](O)[C@H]1O ZINC000238739604 GA Annotated Anodyne O=C1NC(=O)[C@H](Cc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)N1 ZINC000238740012 GA Annotated Anodyne CN[C@H]1[C@H](O)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@@H](NC(=O)CN)[C@@H](O)[C@H]1O ZINC000238740275 GA Annotated Anodyne CNC[C@H]1CC[C@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@H](OC)[C@@H](N(C)C(=O)CN)[C@@H]2O)O1 ZINC000238740653 GA Annotated Anodyne CC(C)(O)C/C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=[N+](\[O-])S(=O)(=O)O ZINC000238741064 GA Annotated Mild CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]([C@H](O)CN)[C@H](N)[C@H](O)CO)O[C@H]1CO ZINC000238741460 GA Annotated Anodyne OC/C=C/C#CC#CC#CC#C[C@@H](O)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238741818 GA Annotated Mild O=S(=O)(O)/[N+]([O-])=C(/CCCO)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238741900 GA Annotated Mild CO[C@]1(NC(=O)[C@@H](N)CC(=O)CC[C@@H](N)C(=O)O)CN(S(=O)(=O)O)C1=O ZINC000238742146 GA Annotated Anodyne N=C(N)NCCC[C@H]1N[C@]2(O)CO[C@@H](n3ccc(N)nc3=O)[C@@H](C2)O/C1=N/O ZINC000238742287 GA Annotated Mild CC(=O)N[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)CN)[C@H](N)[C@H](O)CO)[C@H](O)[C@H]1O ZINC000238742441 GA Annotated Anodyne O=S(=O)(O)/[N+]([O-])=C(/CCCCO)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238743226 GA Annotated Mild C[C@H](O)[C@]1(O)C[C@]2(CO)O[C@]2(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000238743749 GA Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 ZINC000238744588 GA Annotated Anodyne CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]([C@@H](O)CN)[C@H](N)[C@H](O)CO)O[C@H]1CO ZINC000238746691 GA Annotated Anodyne COc1cc([C@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]2CO)cc(OC)c1O ZINC000238747381 GA Annotated Anodyne C[C@H]1O[C@]2(C[C@H]3N4C(=O)[C@@H]5CO[C@@]4(C[C@@]3(O)[C@@H]2O)C(=O)N5C)C(=O)C1(C)C ZINC000238748313 GA Annotated Anodyne CCC[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238748717 GA Annotated Anodyne CC#CC#CC#C/C=C\CC[C@H](CCO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238749266 GA Annotated Mild O=C1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](OC(=O)Cc3ccc(O)cc3)[C@H](O)[C@@H]2O)CO1 ZINC000238749849 GA Annotated Anodyne CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 ZINC000238750137 GA Annotated Anodyne O=C[C@@H](O)[C@@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO ZINC000238751183 GA Annotated Mild C[C@H]1O[C@]2(C[C@H]3N4C(=O)[C@H](CO)N(C)C(=O)C4=C[C@@]3(O)[C@@H]2O)C(=O)C1(C)C ZINC000238751640 GA Annotated Anodyne CC[C@H](C)C/N=C(/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238751933 GA Annotated Mild C=C(CCO)C(=O)OC[C@H]1O[C@@H](OC(=O)C(=C)CCO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238752726 GA Annotated Mild COc1cc([C@H]2O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]2CO)cc(OC)c1O ZINC000238754040 GA Annotated Anodyne N#C[C@@H](CN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000238754089 GA Annotated Mild C[C@@H]1O[C@@H]1C(=O)[C@]1(O)[C@@H](C)[C@H](O)[C@]23O[C@]2([C@@H](O)c2c(O)cccc2C3=O)[C@H]1O ZINC000238754139 GA Annotated Anodyne CO[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@@H]([C@H](C)N)CC[C@H]2N)[C@H](O)[C@@H]1N(C)C(=O)CN ZINC000238754884 GA Annotated Anodyne CO[C@H]1[C@@H](O)[C@H](N)[C@H](O[C@H]2O[C@@H](CN)CC[C@@H]2N)[C@@H](O)[C@H]1N(C)C(=O)CN ZINC000238755542 GA Annotated Anodyne CCC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]([C@H](O)CN)[C@H](N)[C@H](O)CO)O[C@H]1CO ZINC000238756455 GA Annotated Anodyne CCC(=O)N[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)CN)[C@H](N)[C@H](O)CO)[C@H](O)[C@H]1O ZINC000238756915 GA Annotated Anodyne CC[C@H](CO)/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238757653 GA Annotated Mild C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)C[C@](O)(C(=O)O)O[C@@H]2[C@H](O)CO)[C@H](O)[C@H](O)[C@H]1O ZINC000238757661 GA Annotated Anodyne CO[C@@]1(NC(=O)[C@H](N)CC(=O)CC[C@H](N)C(=O)O)CN(S(=O)(=O)O)C1=O ZINC000238757854 GA Annotated Anodyne C[C@H]1O[C@]12C[C@@](O)(CO)[C@](C)(O)C(=O)OCC1=CCN3CC[C@@H](OC2=O)[C@@H]13 ZINC000238758124 GA Annotated Anodyne CCC[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238758429 GA Annotated Anodyne C=C(C)CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238758608 GA Annotated Mild CNC[C@H]1CC[C@H](N)[C@@H](O[C@H]2[C@@H](O)[C@H](N(C)C(=O)CN)[C@@H](OC)C[C@H]2N)O1 ZINC000238758895 GA Annotated Anodyne CC[C@H](CO)/N=C(\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238759102 GA Annotated Mild O=[P@](O)(O[C@@H]1[C@H](O)OC[C@H](O)[C@H]1O)O[C@@H]1[C@H](O)[C@@](O)(CO)O[C@@H]1CO ZINC000238759400 GA Annotated Anodyne CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238760108 GA Annotated Anodyne NC(=O)NC[C@H](NC(=O)[C@@H](O)[C@H](O)[C@H](N)[C@@H](O)C[C@@H](O)[C@H](N)CO)C(N)=O ZINC000238761109 GA 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@@]4(O)OC[C@@]23[C@@H]41 ZINC000238761258 GA Annotated Anodyne O=S(=O)(O)O/N=C(/CCCO)S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238761426 GA Annotated Mild C[C@@H](CO)/C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=[N+](\[O-])S(=O)(=O)O ZINC000238761855 GA Annotated Mild O=C1C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](OC(=O)Cc3ccc(O)cc3)[C@H](O)[C@H]2O)CO1 ZINC000238761926 GA Annotated Anodyne CC[C@H](CO)/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238762105 GA Annotated Mild O=S(=O)(O)O/N=C(\CCCO)S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238762282 GA Annotated Mild C/C=C\C#CC#C[C@@H](O)[C@H](/C=C\CCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238762569 GA Annotated Mild C/[N+]([O-])=N\CO[C@H]1O[C@@H](CO[C@H]2OC[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O ZINC000238763112 GA Annotated Clean C[C@H](O)CC/C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=[N+](\[O-])S(=O)(=O)O ZINC000238763841 GA Annotated Mild CC[C@H](C)C/N=C(\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238764238 GA Annotated Mild CCC/C=C/CO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238766172 GA Annotated Anodyne C[C@H]1O[C@]2(C[C@H]3N4C(=O)[C@@H](CO)N(C)C(=O)C4=C[C@@]3(O)[C@@H]2O)C(=O)C1(C)C ZINC000238766306 GA Annotated Anodyne CC[C@@H]1C[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)N(C)C1 ZINC000238766960 GA Annotated Anodyne CC[C@@H](CO)/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238767314 GA Annotated Mild COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](OC)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@H](O)[C@@H]2C ZINC000238769282 GA Annotated Anodyne COC[C@@H]1O[C@@](COC)(O[C@H]2O[C@H](CO)[C@H](OC)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O ZINC000238769941 GA Annotated Anodyne C[C@]1(O)C[C@H](O)[C@@H](O)[C@@]2(C)C1=CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@H]23 ZINC000238770920 GA Annotated Mild CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@](CO)([C@H](O)CO)O1 ZINC000238771566 GA Annotated Anodyne CSCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000238773046 GA Annotated Mild O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238773405 GA Annotated Mild COc1cc(CCCO)ccc1O[C@H](CO)CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000238774399 GA Annotated Anodyne C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1C=CC2=CC[C@H](N)C(=O)N21)C(=O)O ZINC000238774661 GA Annotated Anodyne CC(C)CC(=O)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238774681 GA Annotated Anodyne CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@H]4OC[C@H](O)[C@@H](O)[C@@H]4O)[C@H]1[C@@H]32 ZINC000238774925 GA Annotated Anodyne C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)C(O)(O)[C@H]3O)[C@H]12 ZINC000238775298 GA Annotated Anodyne CN[C@@H]1[C@H](O)[C@@H](O[C@H]2O[C@@H]([C@H](C)N)CC[C@@H]2NC(N)=O)[C@H](N)C[C@H]1OC ZINC000238775371 GA Annotated Anodyne COC(=O)C1=CO[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O ZINC000238775893 GA Annotated Anodyne CO[C@H](C)[C@H](NC(=O)[C@H]1CCCN1C)[C@@H]1O[C@H](SC)[C@@H](O)[C@H](O)[C@H]1O ZINC000238776019 GA Annotated Anodyne N=C(N)NCCC[C@H]1N[C@]2(CO[C@@H](n3ccc(N)nc3=O)[C@H](O)C2)O/C1=N/O ZINC000238777409 GA Annotated Mild CCC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]([C@@H](O)CN)[C@H](N)[C@H](O)CO)O[C@H]1CO ZINC000238777476 GA Annotated Anodyne O=C(CC[N+](=O)[O-])OC[C@@H]1O[C@H](O)[C@@H](OC(=O)CC[N+](=O)[O-])[C@@H](O)[C@@H]1O ZINC000238778181 GA Annotated Bother CC#CC#CC#C/C=C/CC[C@H](O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238778509 GA Annotated Mild COC[C@@H]1O[C@H](O[C@@]2(COC)O[C@H](COC)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238778632 GA Annotated Anodyne CC[C@H](CO)/N=C(/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238778723 GA Annotated Mild N=C(N)NCCC[C@H]1N[C@]2(CO[C@@H](n3ccc(N)nc3=O)[C@H](O)C2)O/C1=N\O ZINC000238778983 GA Annotated Mild N=C(N)NCCC[C@H]1N[C@]2(O)CO[C@@H](n3ccc(N)nc3=O)[C@@H](C2)O/C1=N\O ZINC000238778996 GA Annotated Mild C/C=C/C#CC#C[C@@H](O)[C@H](/C=C\CCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238779678 GA Annotated Mild C/C=C\C#CC#C[C@@H](O)[C@H](/C=C/CCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238779684 GA Annotated Mild CC(=O)O[C@@]1(C)CC[C@]2(O)C=CO[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 ZINC000238780315 GA Annotated Anodyne C=C(CCO)C(=O)OC[C@H]1O[C@@H](OC(=O)C(=C)CCO)[C@H](O)[C@H](O)[C@@H]1O ZINC000238780932 GA Annotated Mild C/C=C/C#CC#C[C@@H](O)[C@H](/C=C\CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238780978 GA Annotated Mild C/C=C\C#CC#C[C@@H](O)[C@H](/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238780983 GA Annotated Mild C/C=C\C#CC#C[C@@H](O)[C@@H](/C=C\CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238781117 GA Annotated Mild C/C=C/C#CC#C[C@@H](O)[C@@H](/C=C\CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238781123 GA Annotated Mild C/C=C\C#CC#C[C@@H](O)[C@@H](/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238781129 GA Annotated Mild N=C1N[C@@H]2[C@H](COC(N)=O)NC(=N)N3C[C@H](OS(=O)(=O)O)C(O)(O)[C@]23N1 ZINC000238781561 GA Annotated Anodyne in-man biogenic CC(C)=C(C#N)O[C@@H]1O[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238782012 GA Annotated Reactive CC[C@@H](C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238784555 GA Annotated Anodyne CC[C@@](O)(C(=O)OC[C@H]1O[C@@H](O[C@@H](C)[C@H](C)C#N)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)O ZINC000238786645 GA Annotated Mild CC[C@@H](O)CO[C@@H]1O[C@H](COC(=O)[C@](O)(CC)[C@@H](C)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238786649 GA Annotated Anodyne OC/C=C/C#CC#C/C=C/CC[C@@H](CCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238787152 GA Annotated Mild O=C(O)C1=CO[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12 ZINC000238787387 GA Annotated Anodyne CC[C@@](O)(C(=O)OC[C@H]1O[C@@H](O[C@H](C)[C@H](C)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)O ZINC000238788367 GA Annotated Anodyne CC[C@@](O)(C(=O)OC[C@H]1O[C@@H](O[C@H](C)[C@H](C)C#N)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)O ZINC000238788544 GA Annotated Mild CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)C[C@H](O)[C@@H]3O)[C@H]12 ZINC000238789097 GA Annotated Anodyne CC/C=C\CO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238789615 GA Annotated Anodyne CC[C@@](O)(C(=O)OC[C@H]1O[C@@H](O[C@@H](C)[C@@H](C)C#N)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)O ZINC000238789782 GA Annotated Mild C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](N)C[C@H]1NC(=N)C(=O)O ZINC000245219542 GA Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(=O)O ZINC000245219543 GA Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](N)C[C@@H]1NC(=N)C(=O)O ZINC000245219544 GA Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](N)C[C@H]1NC(=N)C(=O)O ZINC000245219545 GA Annotated Anodyne CN(C)c1ccc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@@H](O)CO)c2c1 ZINC000002770040 GA Annotated Bother Cc1cc2nc3c(O)nc(=O)nc-3n([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1C ZINC000253618501 GA Annotated Bother Cc1cc2nc3c(O)nc(=O)nc-3n([C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1C ZINC000253618502 GA Annotated Bother CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCN)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253633474 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCN)C3=O)N1C[C@H]1N[C@H]12 ZINC000253633476 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000253634038 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@H]1[C@H]2N1C ZINC000253634039 GA Annotated Mild C[C@@H]1O[C@H](OCCCCCCNC(=O)CNC(=O)[C@@H](C)N)[C@H](O)[C@@H](O)[C@H]1O ZINC000253634161 GA Annotated Anodyne C[C@@H]1O[C@H](OCCCCCCNC(=O)CNC(=O)[C@@H](C)N)[C@H](O)[C@H](O)[C@H]1O ZINC000253634163 GA Annotated Anodyne C[C@@H]1O[C@H](OCCCCCCNC(=O)CNC(=O)[C@@H](C)N)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253634164 GA Annotated Anodyne C[C@@H]1O[C@H](OCCCCCCNC(=O)CNC(=O)[C@@H](C)N)[C@H](O)[C@H](O)[C@@H]1O ZINC000253634166 GA Annotated Anodyne C[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NO[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC000253635341 GA Annotated Anodyne C[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NO[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O ZINC000253635343 GA Annotated Anodyne C[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NO[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O ZINC000253635345 GA Annotated Anodyne C[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NO[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253635349 GA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC=[N+](C)C)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253636261 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000253636353 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253665611 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000253665617 GA Annotated Mild O=c1nc(O)c(I)cn1[C@@H]1CO[C@H](CO)[C@H](O)[C@H]1O ZINC000253693396 GA Annotated Anodyne C[C@H](ONC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)N)O[C@H](C)[C@H](O)[C@@H](O)CO ZINC000253695049 GA Annotated Anodyne C[C@H](ONC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)N)O[C@H](C)[C@@H](O)[C@H](O)CO ZINC000253695061 GA Annotated Anodyne CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@H]4C#N)C3=O)N1C[C@H]1N[C@H]12 ZINC000253700330 GA Annotated Mild 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 ZINC000253700494 GA Annotated Mild 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 ZINC000253700500 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253702112 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000253702118 GA Annotated Mild O=C(O)[C@@H]1[C@@H]2C(=O)N(CO)C(=O)[C@@H]2[C@H](C(=O)O)[C@@H]2[C@@H]3C(=O)N(CO)C(=O)[C@@H]3[C@H]12 ZINC000253710427 GA Annotated Anodyne O=C(O)[C@H]1[C@@H]2[C@@H]3C(=O)N(CO)C(=O)[C@H]3[C@H]2[C@@H](C(=O)O)[C@H]2C(=O)N(CO)C(=O)[C@@H]12 ZINC000253710433 GA Annotated Anodyne O=C(O)[C@H]1[C@H]2[C@@H]([C@@H]3C(=O)N(CO)C(=O)[C@@H]32)[C@@H](C(=O)O)[C@H]2C(=O)N(CO)C(=O)[C@@H]12 ZINC000253710435 GA Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C(=O)N(CO)C(=O)[C@@H]2[C@H](C(=O)O)[C@@H]2[C@@H]3C(=O)N(CO)C(=O)[C@H]3[C@H]12 ZINC000253710438 GA Annotated Anodyne CC(=O)N[C@@H](C(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)C[C@H]1O)C(C)(C)SN=O ZINC000253859876 GA Annotated Anodyne CC(=O)N[C@@H](C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)C[C@H]1O)C(C)(C)SN=O ZINC000253859879 GA Annotated Anodyne CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H](O)C[C@H](CO)[C@@H](O)[C@@H]1O)C(C)(C)SN=O ZINC000253859885 GA Annotated Anodyne C=CCC[C@@]1(O)[C@H](O)[C@@H](O[C@@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H]1O ZINC000254081945 GA Annotated Mild C=CCC[C@]1(O)[C@H](O)[C@H](CO)O[C@H](O[C@@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)[C@@H]1O ZINC000254081950 GA Annotated Mild C=CCC[C@@]1(O)[C@H](O)[C@@H](O[C@@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@@H](CO)[C@H]1O ZINC000254081953 GA Annotated Mild C=CCC[C@]1(O)[C@H](O)[C@H](CO)O[C@H](O[C@@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H]1O ZINC000254081956 GA Annotated Mild C[C@@H]1O[C@H](NCCNCCN[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O ZINC000254135387 GA Annotated Anodyne C[C@@H]1O[C@H](NCCNCCN[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000254135388 GA Annotated Anodyne C[C@@H]1O[C@H](NCCNCCN[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O ZINC000254135389 GA 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 ZINC000254169502 GA 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 ZINC000254169506 GA 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 ZINC000254169508 GA 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 ZINC000254169510 GA Annotated Mild Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000254169989 GA Annotated Mild Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)NC2=O)cc1 ZINC000254169991 GA Annotated Mild CC1=CC(=O)C[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@H]3[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O ZINC000255200949 GA Annotated Mild CC1=CC(=O)C[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@@H]3[C@]14CO[C@@]3(C)[C@H](O)[C@H](O)[C@@H]24 ZINC000255200950 GA Annotated Mild O=C(O)[C@H]1O[C@@H](O[C@@H](CO)[C@@H]2O[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000255206759 GA Annotated Anodyne C[C@H](O)C[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000255215298 GA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@H]3[C@](C)(O)[C@H](O)[C@@H](O)[C@H]2[C@]31C ZINC000255219567 GA Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)[C@H](O)[C@H]3[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2[C@]31C ZINC000255219568 GA Annotated Mild C[C@@H]1O[C@@H]2C3=C(C(=O)[C@H]4O[C@H]4[C@H]3O)[C@H]1[C@H]1C3=C([C@@H]2O[C@@H]1C)[C@@H](O)[C@H]1O[C@H]1C3=O ZINC000255220153 GA Annotated Mild OC[C@H]1O[C@H](O[C@@H]2O[C@@H]3C[C@H]4[C@H](O)[C@@H](Cl)[C@@](O)(CO3)[C@@H]24)[C@H](O)[C@@H](O)[C@@H]1O ZINC000255221974 GA Annotated Reactive C[C@](O)(CO)[C@H]1OC(=O)C=C2[C@@]3(C)[C@H]4O[C@H]4[C@H](O)[C@]4(C)C(=O)O[C@H]([C@H]5O[C@@]251)[C@H]34 ZINC000255225571 GA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@@]13C ZINC000255230003 GA Annotated Mild C=C[C@H](O)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255240638 GA Annotated Mild in-vitro CO[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3(O)[C@H](O)[C@H](O)[C@@](C)(O)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O ZINC000255241294 GA Annotated Anodyne CO[C@H]1[C@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@@H](O)[C@H]1N(C)CCO ZINC000255249255 GA Annotated Anodyne C[C@](O)(CO)[C@H]1OC(=O)C=C2[C@@]3(C)[C@@H](O)[C@@H]4O[C@@H]4[C@]4(C)C(=O)O[C@H]([C@H]5O[C@@]251)[C@H]34 ZINC000255261271 GA Annotated Anodyne C[C@@H](O)[C@@H]1OC(=O)[C@H](O)C2=C1[C@H](O)[C@H]1OC(=O)[C@@]3(C)[C@@H](O)[C@@H]4O[C@@H]4[C@@]2(C)[C@@H]13 ZINC000255262698 GA Annotated Anodyne C[C@@]12O[C@@H]1[C@@H]1OC[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@@H](O)[C@H]2[C@@H]31 ZINC000255271113 GA Annotated Anodyne N=C1N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)[C@H](O)[C@H](N)C(=O)O ZINC000255272112 GA Annotated Anodyne C=C1[C@H](O)[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257373664 GA Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257373665 GA Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257373666 GA Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)[C@H](O)C[C@@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000257373667 GA Annotated Mild N=C1N[C@@H]2[C@@H](COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CCC(O)(O)[C@]23N1 ZINC000257377765 GA Annotated Anodyne N=C1N[C@@H]2[C@H](COC(N)=O)NC(=N)N3C[C@H](OS(=O)(=O)O)C(O)(O)[C@@]23N1 ZINC000257380052 GA Annotated Anodyne in-man biogenic N#C[C@H](CN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)N[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000257390064 GA Annotated Mild N#C[C@H](CN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)N[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O ZINC000257390065 GA Annotated Mild N#C[C@H](CN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)N[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O ZINC000257390066 GA Annotated Mild N#C[C@H](CN[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)N[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O ZINC000257390067 GA Annotated Mild C[N+]([O-])=NCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257408413 GA Annotated Clean C[N+]([O-])=NCO[C@H]1O[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257408414 GA Annotated Clean C[N+]([O-])=NCO[C@H]1O[C@@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257408415 GA Annotated Clean C[N+]([O-])=NCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257408416 GA Annotated Clean CC(C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257411408 GA Annotated Mild CC(C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000257411409 GA Annotated Mild CC(C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000257411410 GA Annotated Mild C=C(C)CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257411852 GA Annotated Mild C=C(C)CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257411853 GA Annotated Mild C=C(C)CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257411854 GA Annotated Mild C=C(C)CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257411855 GA Annotated Mild COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)[C@@H](O)[C@@H](O)C(=O)OC ZINC000257420300 GA Annotated Clean COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)OC ZINC000257420301 GA Annotated Clean C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257429442 GA Annotated Mild C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000257429443 GA Annotated Mild C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000257429444 GA Annotated Mild C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000257429445 GA Annotated Mild CC(C)=CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257441912 GA Annotated Anodyne CC(C)=CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257441913 GA Annotated Anodyne CC(C)=CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257441914 GA Annotated Anodyne CC(C)=CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257441915 GA Annotated Anodyne C[C@H](O)[C@H](C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257450163 GA Annotated Anodyne C[C@H](O)[C@H](C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257450164 GA Annotated Anodyne C[C@H](O)[C@H](C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257450165 GA Annotated Anodyne C[C@H](O)[C@H](C)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257450166 GA Annotated Anodyne N=C1N[C@@H]2[C@@H](COC(=O)NS(=O)(=O)O)NC(=N)N3CCC(O)(O)[C@]23N1 ZINC000257455029 GA Annotated Anodyne CC(C)[C@@]12C[C@@]3(O)[C@]4(O)[C@](C)(O1)[C@@]1(O)O[C@]4(O)[C@]4(O)[C@H](C)CC[C@]4(O)[C@@]3(C)[C@H]12 ZINC000257462786 GA Annotated Anodyne CC(C)[C@]12C[C@]3(O)[C@]4(C)[C@@H]1[C@]1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@@]54O)[C@]3(O)[C@]1(C)O2 ZINC000257462787 GA Annotated Anodyne CC(C)[C@@]12C[C@@]3(O)[C@]4(O)[C@@](C)(O1)[C@@]1(O)O[C@]4(O)[C@]4(O)[C@H](C)CC[C@]4(O)[C@@]3(C)[C@H]12 ZINC000257462788 GA Annotated Anodyne CC(C)[C@]12C[C@]3(O)[C@]4(C)[C@@H]1[C@]1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@@]54O)[C@]3(O)[C@@]1(C)O2 ZINC000257462789 GA Annotated Anodyne CC(C)=CC(=O)O[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257487944 GA Annotated Anodyne CC(C)=CC(=O)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257487945 GA Annotated Anodyne CC(C)=CC(=O)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257487946 GA Annotated Anodyne CC(C)=CC(=O)O[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257487947 GA Annotated Anodyne C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000257488977 GA Annotated Mild in-man C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000257488978 GA Annotated Mild in-man C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000257488979 GA Annotated Mild in-man C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257488980 GA Annotated Mild in-man CC(C)=CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257498838 GA Annotated Anodyne CC(C)=CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257498839 GA Annotated Anodyne CC(C)=CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257498840 GA Annotated Anodyne CC(C)=CCO[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257498841 GA Annotated Anodyne COc1cc(CCCO)ccc1O[C@H](CO)CO[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O ZINC000257507766 GA Annotated Anodyne COc1cc(CCCO)ccc1O[C@H](CO)CO[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O ZINC000257507767 GA Annotated Anodyne COc1cc(CCCO)ccc1O[C@H](CO)CO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000257507768 GA Annotated Anodyne COc1cc(CCCO)ccc1O[C@H](CO)CO[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O ZINC000257507769 GA Annotated Anodyne CC(C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@](CO)([C@@H](O)CO)O1 ZINC000257537449 GA Annotated Anodyne CC(C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@](CO)([C@@H](O)CO)O1 ZINC000257537450 GA Annotated Anodyne CC(C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@](CO)([C@H](O)CO)O1 ZINC000257537451 GA Annotated Anodyne CC(C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@](CO)([C@H](O)CO)O1 ZINC000257537452 GA Annotated Anodyne CC(C)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000257542355 GA Annotated Mild CC(C)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000257542356 GA Annotated Mild CC(C)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000257542357 GA Annotated Mild CC(C)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257542358 GA Annotated Mild CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000257547850 GA Annotated Mild CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000257547851 GA Annotated Mild CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000257547852 GA Annotated Mild CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257547853 GA Annotated Mild C=C(CCO)C(=O)OC[C@@H]1O[C@H](OC(=O)C(=C)CCO)[C@@H](O)[C@H](O)[C@H]1O ZINC000257551316 GA Annotated Mild C=C(CCO)C(=O)OC[C@@H]1O[C@@H](OC(=O)C(=C)CCO)[C@@H](O)[C@H](O)[C@H]1O ZINC000257551317 GA Annotated Mild COC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O ZINC000257559218 GA Annotated Clean COC(=O)[C@H](O)[C@H](O)[C@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O ZINC000257559219 GA Annotated Clean COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)[C@@H](O)[C@H](O)C(=O)O ZINC000257619164 GA Annotated Clean COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)[C@H](O)[C@@H](O)C(=O)O ZINC000257619165 GA Annotated Clean CC(C)CC(=O)O[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257767899 GA Annotated Anodyne CC(C)CC(=O)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257767901 GA Annotated Anodyne CC(C)CC(=O)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257767903 GA Annotated Anodyne CC(C)CC(=O)O[C@H]1O[C@@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257767906 GA Annotated Anodyne O=C1C[C@H](O[C@@H]2O[C@@H](CO)[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H](O)[C@@H]2O)CO1 ZINC000257784397 GA Annotated Anodyne O=C1C[C@H](O[C@H]2O[C@@H](CO)[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H](O)[C@@H]2O)CO1 ZINC000257784399 GA Annotated Anodyne O=C1C[C@@H](O[C@H]2O[C@@H](CO)[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H](O)[C@@H]2O)CO1 ZINC000257784402 GA Annotated Anodyne O=C1C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H](O)[C@@H]2O)CO1 ZINC000257784404 GA Annotated Anodyne CSCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000257793726 GA Annotated Mild CSCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000257793727 GA Annotated Mild CSCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000257793728 GA Annotated Mild CSCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257793729 GA Annotated Mild CC(=O)N[C@@H](C(=O)N[C@@H]1[C@@H](O)C[C@@H](CO)[C@@H](O)[C@@H]1O)C(C)(C)SN=O ZINC000026295544 GA Annotated Anodyne CC(=O)N[C@@H](C(=O)N[C@H]1[C@@H](O)C[C@@H](CO)[C@@H](O)[C@@H]1O)C(C)(C)SN=O ZINC000026295547 GA Annotated Anodyne CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H](O)C[C@@H](CO)[C@@H](O)[C@@H]1O)C(C)(C)SN=O ZINC000026295551 GA Annotated Anodyne CC(=O)N[C@@H](C(=O)N[C@H]1[C@H](O)C[C@@H](CO)[C@@H](O)[C@@H]1O)C(C)(C)SN=O ZINC000026295553 GA Annotated Anodyne CS(=O)(=O)OCCN(N(S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O ZINC000026378457 GA Annotated Mild CO/C(O)=C1\C(C)=NC(C)=C(C(=O)O)[C@@H]1C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000026391481 GA Annotated Anodyne CO/C(O)=C1\C(C)=NC(C)=C(C(=O)O)[C@H]1C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000026391484 GA Annotated Anodyne CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNCCc1ccc(O)c(O)c1 ZINC000026489790 GA Annotated Reactive CN(C(=O)C[C@@H](N)c1cccc(NC(=N)N)c1)[C@@H]1CNC(/N=C(/N)O)=NC1=O ZINC000026490715 GA Annotated Mild CN(C(=O)C[C@@H](N)c1cccc(NC(=N)N)c1)[C@H]1CNC(/N=C(/N)O)=NC1=O ZINC000026490721 GA Annotated Mild CN(C(=O)C[C@@H](N)CCCNC1=NCCN1)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026494668 GA Annotated Mild CN(C(=O)C[C@@H](N)CCCNC1=NCCN1)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026494672 GA Annotated Mild Cc1cn([C@@H]2C=C[C@H](CNC(=O)C[C@](O)(CC(=O)O)C(=O)O)O2)c(O)nc1=O ZINC000261146332 GA Annotated Anodyne O=COC[C@H](CO[P@](=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O)OC=O ZINC000261496101 GA Annotated Anodyne in-man endogenous O=COC[C@H](CO[P@](=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC=O ZINC000261496102 GA Annotated Anodyne in-man endogenous O=COC[C@H](CO[P@](=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC=O ZINC000261496103 GA Annotated Anodyne in-man endogenous O=COC[C@H](CO[P@](=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O)OC=O ZINC000261496104 GA Annotated Anodyne in-man endogenous O=C1CC[C@H](Cc2ccc(O)c(O[C@H]3[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]3O)c2)O1 ZINC000261515487 GA Annotated Anodyne in-man O=C1CC[C@H](Cc2ccc(O)c(O[C@H]3[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]3O)c2)O1 ZINC000261515488 GA Annotated Anodyne in-man O=C1CC[C@H](Cc2ccc(O)c(O[C@H]3[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]3O)c2)O1 ZINC000261515489 GA Annotated Anodyne in-man O=C1CC[C@H](Cc2ccc(O)c(O[C@@H]3[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]3C(=O)O)c2)O1 ZINC000261515490 GA Annotated Anodyne in-man Cc1cccc2c1/C(=N/NC(N)=S)C(=O)N2[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000263591944 GA Annotated Mild Cc1cccc2c1/C(=N/NC(N)=S)C(=O)N2[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000263591945 GA Annotated Mild Cc1cccc2c1/C(=N/NC(N)=S)C(=O)N2[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000263591946 GA Annotated Mild Cc1cccc2c1/C(=N/NC(N)=S)C(=O)N2[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000263591947 GA Annotated Mild N[C@]1(Cc2ccc(O)cc2)C(=O)NC(=O)N/C1=N/C[C@H](O)[C@H](O)[C@H](O)CO ZINC000263614862 GA Annotated Mild N[C@@]1(Cc2ccc(O)cc2)C(=O)NC(=O)N/C1=N/C[C@H](O)[C@H](O)[C@H](O)CO ZINC000263614863 GA Annotated Mild N[C@@H]1[C@H](NCCO[Sn](O)(O)O)O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000263620733 GA Annotated Anodyne Cc1cn([C@@H]2O[C@@]3(COP(=O)(O)O)CN(C)O[C@@H]2[C@@H]3O)c(=O)nc1O ZINC000263620830 GA Annotated Anodyne NS(=O)(=O)O[C@@H]1CCN(S(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C1 ZINC000263621077 GA Annotated Anodyne NS(=O)(=O)O[C@@H]1CCN(S(=O)(=O)[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C1 ZINC000263621078 GA Annotated Anodyne CC(C)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000263638201 GA Annotated Mild CC(C)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000263638202 GA Annotated Mild CC(C)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000263638203 GA Annotated Mild CC(C)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000263638204 GA Annotated Mild CC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NC[P@](=O)(O)CCC(N)=O ZINC000026575827 GA Annotated Anodyne CN(C(=O)C[C@@H](N)c1csc(CCN)n1)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026579837 GA Annotated Mild CN(C(=O)C[C@@H](N)c1csc(CCN)n1)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026579838 GA Annotated Mild CN(C(=O)C[C@@H](N)CS(=O)(=O)CCN)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026641870 GA Annotated Mild CN(C(=O)C[C@@H](N)CS(=O)(=O)CCN)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026641876 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)[C@@H](C)C4(OCCO4)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000026666524 GA Annotated Mild CO[C@]12[C@@H]3[C@H](CN1C1=C(C(=O)C4(OCCO4)[C@H](C)C1=O)[C@@H]2COC(N)=O)N3C ZINC000026667569 GA Annotated Mild [N-]=[N+]=NC[C@H](O)Cn1c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2[nH]c(N)nc(=O)c21 ZINC000027109143 GA Annotated Clean CO[C@@H](C(=O)N[C@@H]1CC[C@H](O)CN(C)C1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)C ZINC000027202857 GA Annotated Anodyne O=C(O)CCCC(=O)Nc1c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]c1=O ZINC000027412713 GA Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C(N)=O)N(CC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3S2)C1 ZINC000027417634 GA Annotated Anodyne CC(C)/N=C(/N)NCCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000027420356 GA Annotated Mild CC(C)/N=C(/N)NCCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000027420360 GA Annotated Mild CC/N=C(/N)NCCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000027420364 GA Annotated Mild CC/N=C(/N)NCCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000027420369 GA Annotated Mild CC(C)C(=N)NCCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000027421326 GA Annotated Mild CC(C)C(=N)NCCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000027421330 GA Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(C)CC(=O)N3CCN(C)CC3)S[C@H]12 ZINC000027422897 GA Annotated Anodyne C/N=C(/N)N(C)CCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000027428143 GA Annotated Mild C/N=C(/N)N(C)CCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000027428147 GA Annotated Mild O=S(=O)(O)NCCCCN(CCCNS(=O)(=O)O)S(=O)(=O)O ZINC000027440628 GA Annotated Anodyne CS(=O)(=O)[C@]1(C(=O)O)C(=O)NC[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N21 ZINC000027523917 GA Annotated Anodyne CS(=O)(=O)[C@@]1(C(=O)O)C(=O)NC[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N21 ZINC000027523918 GA Annotated Anodyne CS(=O)(=O)OC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2CN1 ZINC000027524284 GA Annotated Mild CC(C)[C@@H](O)C(=O)NCCC(=O)NCCSC[C@@H](O)C[C@@H](O)CC(=O)O ZINC000027729660 GA Annotated Anodyne CC(C)[C@@H](O)C(=O)NCCC(=O)NCCSC[C@H](O)C[C@@H](O)CC(=O)O ZINC000027729667 GA Annotated Anodyne CC(C)[C@@H](O)C(=O)NCCC(=O)NCCSC[C@@H](O)C[C@H](O)CC(=O)O ZINC000027729675 GA Annotated Anodyne CC(C)[C@@H](O)C(=O)NCCC(=O)NCCSC[C@H](O)C[C@H](O)CC(=O)O ZINC000027729682 GA Annotated Anodyne CCOC(=O)CNC(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O ZINC000027886875 GA Annotated Reactive O=[N+]([O-])OC[C@H](CCCC(O)(P(=O)(O)O)P(=O)(O)O)O[N+](=O)[O-] ZINC000028121686 GA Annotated Anodyne O=[N+]([O-])OC[C@@H](CCCC(O)(P(=O)(O)O)P(=O)(O)O)O[N+](=O)[O-] ZINC000028121692 GA Annotated Anodyne CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)[C@H](O)CO ZINC000028524124 GA Annotated Mild NCCCC[C@H](COC(N)=O)NC(=O)CN(CCCCN)C(=O)OCCN ZINC000028525648 GA Annotated Anodyne N[C@H]1C[C@@H](N)CN(c2nc(N[C@H]3CCNC3)nc(N3C[C@@H](N)C[C@@H](N)C3)n2)C1 ZINC000028604508 GA Annotated Anodyne CC(C)(C)/[N+]([O-])=C/C1=CC[C@@H](C(=O)NC[C@@H](O)NC(CO)(CO)CO)C=C1 ZINC000028710948 GA Annotated Mild CC(C)(C)/[N+]([O-])=C/C1=CC[C@H](C(=O)NC[C@@H](O)NC(CO)(CO)CO)C=C1 ZINC000028710949 GA Annotated Mild CC(C)(C)/[N+]([O-])=C/C1=CC[C@@H](C(=O)NC[C@H](O)NC(CO)(CO)CO)C=C1 ZINC000028710950 GA Annotated Mild CC(C)(C)/[N+]([O-])=C/C1=CC[C@H](C(=O)NC[C@H](O)NC(CO)(CO)CO)C=C1 ZINC000028710951 GA Annotated Mild O=C1N[C@H]2[C@@H]3O[P@](=O)(O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H]2c2cc3c(c(O)c21)OCO3 ZINC000029042122 GA Annotated Anodyne CCC[C@H]1C(=O)N(CS(=O)(=O)N[C@@H](CO)C(=O)OC)S(=O)(=O)N1C ZINC000029133049 GA Annotated Anodyne CCC[C@@H]1C(=O)N(CS(=O)(=O)N[C@@H](CO)C(=O)OC)S(=O)(=O)N1C ZINC000029133051 GA Annotated Anodyne Cn1nnc2c(C(=O)NCCCN(CCCN)CCCCN)ncn2c1=O ZINC000029252372 GA Annotated Anodyne N[C@@H](CNC(=O)c1cc2n(n1)CCN(CCC1CCNCC1)C2=O)C(=O)O ZINC000029326805 GA Annotated Anodyne O=C(O)[C@]1(OP(=O)(O)O)C[C@@H](O)[C@@H](O)[C@H]([C@H](O)COP(=O)(O)O)O1 ZINC000029347770 GA Annotated Anodyne O=C(O)[C@]1(OP(=O)(O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)COP(=O)(O)O)O1 ZINC000029347773 GA Annotated Anodyne O=C(O)[C@@]1(OP(=O)(O)O)C[C@@H](O)[C@@H](O)[C@H]([C@H](O)COP(=O)(O)O)O1 ZINC000029347777 GA Annotated Anodyne O=C(O)[C@@]1(OP(=O)(O)O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)COP(=O)(O)O)O1 ZINC000029347780 GA Annotated Anodyne CC(C)[C@@H](O)C(=O)NCCC(=O)NCCNC(=O)C[C@@](C)(O)CC(=O)O ZINC000029389729 GA Annotated Anodyne CC(C)[C@@H](O)C(=O)NCCC(=O)NCCNC[C@@H](O)C[C@@H](O)CC(=O)O ZINC000029391330 GA Annotated Anodyne CC(C)[C@@H](O)C(=O)NCCC(=O)NCCNC[C@H](O)C[C@@H](O)CC(=O)O ZINC000029391333 GA Annotated Anodyne CC(C)[C@@H](O)C(=O)NCCC(=O)NCCNC[C@@H](O)C[C@H](O)CC(=O)O ZINC000029391335 GA Annotated Anodyne CC(C)[C@@H](O)C(=O)NCCC(=O)NCCNC[C@H](O)C[C@H](O)CC(=O)O ZINC000029391338 GA Annotated Anodyne C[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NO[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000029554502 GA Annotated Anodyne C[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NO[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000029554506 GA Annotated Anodyne C[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NO[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000029554510 GA Annotated Anodyne C[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NO[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000029554514 GA Annotated Anodyne C[C@@H]1O[C@@H](OCCCCCCNC(=O)CNC(=O)[C@@H](C)N)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000029561601 GA Annotated Anodyne C[C@@H](N)C(=O)NCC(=O)NCCCCCCO[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000029561605 GA Annotated Anodyne C[C@@H]1O[C@H](OCCCCCCNC(=O)CNC(=O)[C@@H](C)N)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000029561608 GA Annotated Anodyne C[C@@H](N)C(=O)NCC(=O)NCCCCCCO[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O ZINC000029561615 GA Annotated Anodyne C[C@H](O[C@@H](C)ONC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)N)[C@@H](O)[C@@H](O)CO ZINC000029563502 GA Annotated Anodyne C[C@H](ONC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)N)O[C@@H](C)[C@@H](O)[C@@H](O)CO ZINC000029563506 GA Annotated Anodyne C[C@@H](ONC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)N)O[C@H](C)[C@@H](O)[C@@H](O)CO ZINC000029563510 GA Annotated Anodyne C[C@H](ONC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)N)O[C@H](C)[C@@H](O)[C@@H](O)CO ZINC000029563513 GA Annotated Anodyne [N-]=[N+]=NC[C@H](O)Cn1c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)nc(O)c21 ZINC000299809403 GA Annotated Clean O=C(O)[C@]1(OP(=O)(O)O)C[C@H](O)[C@H](O)[C@@H]([C@H](O)COP(=O)(O)O)O1 ZINC000299811505 GA Annotated Anodyne COc1ccc(/C=C2\N/C(=N\N=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000299814700 GA Annotated Mild COc1ccc(/C=C2\N/C(=N\N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)NC2=O)cc1 ZINC000299814701 GA Annotated Mild COc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000299814702 GA Annotated Mild COc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)NC2=O)cc1 ZINC000299814703 GA Annotated Mild CCn1c(=O)c2c(no[n+]2[O-])n(COC(COC(C)=O)COC(C)=O)c1=O ZINC000299820508 GA Annotated Anodyne COc1c(O)c(CN(C)C)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O ZINC000299824086 GA Annotated Clean O=C(C[C@H]1CC(=O)c2c(F)cc(F)cc21)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299824418 GA Annotated Anodyne CC(=O)N([C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000299827341 GA Annotated Anodyne CC#CC#CC#C/C=C/C=C/[C@@H](CCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299835115 GA Annotated Mild CC#CC#CC#C/C=C/C=C/[C@H](CCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299835117 GA Annotated Mild NS(=O)(=O)O[C@@H]1CCN(S(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 ZINC000299837987 GA Annotated Anodyne NS(=O)(=O)OCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299838569 GA Annotated Anodyne Cc1ccc(C(=O)/N=C2/NC(=O)[C@]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)S2)cc1 ZINC000299839231 GA Annotated Mild COC(=O)[C@]1(F)O[C@@H]([C@H](O)[C@H]2COC(C)(C)O2)[C@H](NC(C)=O)[C@@H](N)[C@H]1F ZINC000299852420 GA Annotated Anodyne CCCCCOC(=O)[C@]1(F)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](NC(C)=O)[C@@H](N)[C@H]1F ZINC000299852476 GA Annotated Anodyne COC(=O)CNC(=O)[C@]1(F)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](NC(C)=O)[C@@H](N)[C@H]1F ZINC000299852534 GA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](N)[C@@H](F)[C@](F)(C(=O)OC2CCCC2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000299852588 GA Annotated Anodyne NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000003055117 GA Annotated Anodyne CC[C@H](C)/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000030160107 GA Annotated Mild in-vitro CC(C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000030160112 GA Annotated Mild in-vitro CSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O ZINC000030731290 GA Annotated Anodyne in-man N[C@@H](CCCCN[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H](O)C1=O)C(=O)O ZINC000031259663 GA Annotated Anodyne in-vitro metabolite O=C(CC[N+](=O)[O-])OC[C@H]1O[C@H](O)[C@H](OC(=O)CC[N+](=O)[O-])[C@H](O)[C@@H]1O ZINC000031343568 GA Annotated Bother CC(=O)N[C@@H]1[C@@H](CO)O[C@H](O[C@H]([C@@H](O)CN)[C@H](N)[C@H](O)CO)[C@H](O)[C@H]1O ZINC000031490803 GA Annotated Anodyne C=CCC[C@]1(O)[C@H](O)[C@@H](O[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](CO)[C@H]1O ZINC000031870630 GA Annotated Mild C=CCC[C@]1(O)[C@H](O)[C@@H](O[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O ZINC000031870631 GA Annotated Mild Cc1ccc(/C=C2/N=C(N/N=C\[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000031871603 GA Annotated Mild COc1ccc(/C=C2/N=C(N/N=C\[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000031871610 GA Annotated Mild COc1ccc(/C=C2\N=C(N/N=C\[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000031871612 GA Annotated Mild C[C@@H]1O[C@@H](NCCNCCN[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000031904940 GA Annotated Anodyne C[C@@H]1O[C@@H](NCCNCCN[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O ZINC000031904941 GA Annotated Anodyne C[C@@H]1O[C@H](NCCNCCN[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000031904942 GA Annotated Anodyne C[C@@H]1O[C@@H](NCCNCCN[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O ZINC000031904943 GA Annotated Anodyne CC(=O)Nc1nc(C)c(S(=O)(=O)/N=C(\O)N[C@@H]2NC(=O)NC2=O)s1 ZINC000031905110 GA Annotated Mild CO[P@](=O)(O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O ZINC000033816093 GA Annotated Anodyne CC1=CC(=O)O[C@H]1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]23[C@@H]1[C@@H](O)[C@@H]4O ZINC000033829902 GA Annotated Anodyne in-vitro biogenic CC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)N(C)C1 ZINC000033902777 GA Annotated Anodyne in-vitro CC[C@H]1C[C@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)N(C)C1 ZINC000033902778 GA Annotated Anodyne in-vitro CC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)N(C)C1 ZINC000033902779 GA Annotated Anodyne in-vitro CC[C@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]2O)N(C)C1 ZINC000033902780 GA Annotated Anodyne in-vitro C=C1[C@@H](O)[C@]2(O)OC[C@@]34[C@@H](C[C@](C)([C@H]5OC(=O)C=C5C)[C@@H]23)OC(=O)[C@H](O)[C@@]14O ZINC000034097661 GA Annotated Mild in-vitro biogenic CC(C)=CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000034471821 GA Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000034472020 GA Annotated Anodyne CC(C)(O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000034943360 GA Annotated Mild in-man CC(C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000034943363 GA Annotated Mild in-man C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000034943565 GA Annotated Mild in-man C=C[C@H](O)C/C(=N/OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000034943567 GA Annotated Mild C=C[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000034943569 GA Annotated Mild in-man Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)[C@@H]1N2 ZINC000003869617 GA Annotated Anodyne in-vitro Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)[C@H]1N2 ZINC000003869618 GA Annotated Anodyne in-vitro N[C@@H](CCCCN[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H](O)C1=O)C(=O)O ZINC000003869926 GA Annotated Anodyne in-vitro metabolite N[C@@H](CCCCN[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H](O)C1=O)C(=O)O ZINC000003869927 GA Annotated Anodyne in-vitro metabolite N[C@@H](CCCCN[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H](O)C1=O)C(=O)O ZINC000003869928 GA Annotated Anodyne in-vitro metabolite O=C(CC1CCCCC1)OC[C@H]1O[C@@H](OC(CO)CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000035086683 GA Annotated Anodyne CC(=O)N[C@H]1[C@@H](O)O[C@H]([C@H](O)CO)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000036349047 GA Annotated Anodyne CC(=O)N[C@H]1[C@H](O)O[C@H]([C@H](O)CO)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000036349051 GA Annotated Anodyne CC(=O)N[C@H]1[C@@H](O)O[C@H]([C@@H](O)CO)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000036349055 GA Annotated Anodyne CC(=O)N[C@H]1[C@H](O)O[C@H]([C@@H](O)CO)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000036349059 GA Annotated Anodyne C/C=C/C#CC#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCO ZINC000036378714 GA Annotated Mild NCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000036471451 GA Annotated Anodyne CN(C(=O)C[C@H](N)c1cccc(NC(=N)N)c1)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000038140695 GA Annotated Mild CN(C(=O)C[C@H](N)c1cccc(NC(=N)N)c1)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000038140696 GA Annotated Mild CO[C@]12[C@@H]3[C@H](CN1C1=C(C(=O)C4(OCCO4)[C@@H](C)C1=O)[C@@H]2COC(N)=O)N3C ZINC000038150106 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)[C@H](C)C4(OCCO4)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000038150107 GA Annotated Mild COCC1=C(OC)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000038150146 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000038150254 GA Annotated Mild CO[C@H]1C[C@@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@H](O)[C@@H]1N(C)C(=O)CN ZINC000038192474 GA Annotated Anodyne CC(C)CC(=O)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000038321832 GA Annotated Anodyne in-vitro biogenic CC#CC#CC#C/C=C/CC[C@H](CCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038623536 GA Annotated Mild C[C@]1(O)C[C@@]23C=C[C@]4(O)C(=O)c5c(O)cccc5C(=O)[C@]4(O)[C@@]2(O3)C(=O)[C@H]1O ZINC000038625419 GA Annotated Clean CC[C@@H](C)/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038792097 GA Annotated Mild in-vitro CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038792118 GA Annotated Mild in-vitro CC(C)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038792119 GA Annotated Mild in-vitro C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038810747 GA Annotated Mild in-vitro CC1=CC(=O)O[C@H]1[C@@]1(C)C[C@@H](O)[C@@]23CO[C@]4(C)[C@@H](OC(=O)[C@H](O)[C@@]42O)[C@H](O)[C@H]13 ZINC000038897071 GA Annotated Anodyne in-vitro biogenic N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(C(=O)CN2CCOCC2)CC1 ZINC000038915767 GA Annotated Mild Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)C[S@](=O)C[S@@](C)=O ZINC000038934619 GA Annotated Anodyne C[C@@H]1O[C@H](OCCCCCCNC(=O)CNC(=O)[C@@H](C)N)[C@@H](O)[C@H](O)[C@@H]1O ZINC000039010317 GA Annotated Anodyne N[C@@H](C[C@@H](O)[C@H](N)C[C@H](N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O)C(=O)O ZINC000039062175 GA Annotated Anodyne C[C@H](N)C(=O)O[P@@](=O)(O)OC[C@H](O)CO[P@@](=O)(O)OC[C@H](O)CO ZINC000004096274 GA Annotated Anodyne in-vitro C[C@@H](N)C(=O)O[P@@](=O)(O)OC[C@H](O)CO[P@@](=O)(O)OC[C@H](O)CO ZINC000004096275 GA Annotated Anodyne in-vitro C=C(C)[C@@H](C#N)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097531 GA Annotated Mild in-vitro CC[C@H](C)/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097561 GA Annotated Mild in-vitro CC(C)(O)C/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097562 GA Annotated Mild in-vitro C=C[C@H](O)C/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097581 GA Annotated Mild in-vitro O=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](OC(=O)CC[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O ZINC000004097608 GA Annotated Bother in-vitro biogenic O=C(CC[N+](=O)[O-])OC[C@H]1O[C@H](O)[C@H](OC(=O)CC[N+](=O)[O-])[C@@H](O)[C@@H]1O ZINC000004097609 GA Annotated Bother in-vitro biogenic C/[N+]([O-])=N/CO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097628 GA Annotated Clean in-vitro OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1Cl ZINC000004214346 GA Annotated Reactive in-man O=COC[C@@H](CO[P@@](=O)(O)OC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O)OC=O ZINC000040164573 GA Annotated Anodyne in-man metabolite O=COC[C@H](CO[P@@](=O)(O)OC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O)OC=O ZINC000040164574 GA Annotated Anodyne in-man endogenous C=C1C[C@H](O)[C@H]2[C@H](CN[C@@H](CC(N)=O)C(=O)O)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000040393438 GA Annotated Mild CN(C)CCNC(=O)c1ccc2c(n1)C(=O)C1=C(C2=O)S(=O)(=O)CCN1 ZINC000040411507 GA Annotated Mild N=C1N[C@@H](CO/C(O)=N/S(=O)(=O)O)[C@@H]2N=C(N)N[C@]23N1C[C@H](O)C3(O)O ZINC000040430294 GA Annotated Mild CO[C@@H]1O[C@H](CNC(=O)[C@H](NC(C)=O)C(C)(C)SN=O)[C@H](O)[C@H](O)[C@@H]1O ZINC000040457069 GA Annotated Anodyne N[C@H]1C[C@@H](N)CN(c2nc(N[C@@H]3CCNC3)nc(N3C[C@@H](N)C[C@@H](N)C3)n2)C1 ZINC000040576229 GA Annotated Anodyne N[C@H]1C[C@@H](N)CN(c2nc(N3CCNCC3)nc(N3C[C@@H](N)C[C@@H](N)C3)n2)C1 ZINC000040620056 GA Annotated Anodyne O=C(O)[C@]1(OP(=O)(O)O)C[C@H](O)[C@H](O)[C@H]([C@H](O)COP(=O)(O)O)O1 ZINC000040651385 GA Annotated Anodyne C[C@H](ONC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)N)O[C@H](C)[C@H](O)[C@H](O)CO ZINC000040655866 GA Annotated Anodyne CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H](O)C[C@H](CO)[C@H](O)[C@@H]1O)C(C)(C)SN=O ZINC000040684929 GA Annotated Anodyne CCN(CC)c1nc(N2C[C@@H](N)C[C@@H](N)C2)nc(N2C[C@@H](N)C[C@@H](N)C2)n1 ZINC000040753927 GA Annotated Anodyne N[C@H]1C[C@@H](N)CN(c2nc(Nc3ccon3)nc(N3C[C@@H](N)C[C@@H](N)C3)n2)C1 ZINC000040764459 GA Annotated Anodyne NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O ZINC000040812574 GA Annotated Anodyne Cc1c(C(=O)OC[C@@]2(O)OC[C@@H](O)[C@@H](O)[C@@H]2O)nnn1Cc1ccccc1 ZINC000040862457 GA Annotated Anodyne COC(=O)COc1c2c(cc3c1C(=O)N[C@@H]1C3=C[C@H](O)[C@@H](O)[C@H]1O)OCO2 ZINC000040900745 GA Annotated Anodyne Cc1c(C(=O)O[C@H]2[C@H](O)[C@H](O)CO[C@]2(O)CO)nnn1Cc1ccccc1 ZINC000040900891 GA Annotated Anodyne CC(=O)O[C@@H]1CO[C@@H](S(=O)(=O)CC(N)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000040933025 GA Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](S(=O)(=O)CC(N)=O)[C@@H]1OC(C)=O ZINC000040933324 GA Annotated Anodyne CC(=O)O[C@@H]1[C@H](S(=O)(=O)CC(N)=O)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000040935014 GA Annotated Anodyne O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2OS(=O)(=O)O)c2cc3c(c(O)c21)OCO3 ZINC000040949764 GA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@H]3[C@]4(C)OC[C@@]31[C@@H]2[C@@H](O)[C@@H]4O ZINC000042890050 GA Annotated Mild in-vitro biogenic COCCn1nnc2cc3c(=O)n([C@H](C)Cn4ncnn4)nnc3cc2c1=O ZINC000043203528 GA Annotated Bother CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(Br)=C(N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000043219845 GA Annotated Mild CN1[C@H]2CN3C4=C(C(=O)C(N)=C(Br)C4=O)[C@H](COC(N)=O)[C@@]3(O)[C@H]21 ZINC000043328142 GA Annotated Mild C#CCN(C)C1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000043450365 GA Annotated Mild C#CCN(C)C1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000043450367 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@@H]4C#N)C3=O)N1C[C@H]1N[C@H]12 ZINC000043677375 GA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@@H]4C#N)C3=O)N1C[C@H]1N[C@H]12 ZINC000043677377 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCO)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000043693276 GA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000044323933 GA Annotated Mild C[C@H]1O[C@@H](OC2[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@@H](N)C[C@@H]1NC(=N)C(=O)O ZINC000004975129 GA Annotated Anodyne COc1nc(N2C(=O)CN(S(=O)(=O)N(C)C)CC2=O)nc(OC)c1O ZINC000045244988 GA Annotated Anodyne NC(=O)NC[C@H](NC(=O)[C@H](O)[C@@H](O)[C@@H](N)[C@@H](O)C[C@H](O)[C@H](N)CO)C(N)=O ZINC000049070425 GA Annotated Anodyne in-vitro NC(=O)NC[C@H](NC(=O)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)C[C@@H](O)[C@@H](N)CO)C(N)=O ZINC000049070453 GA Annotated Anodyne NC(=O)NC[C@@H](NC(=O)[C@@H](O)[C@H](O)[C@H](N)[C@H](O)C[C@@H](O)[C@@H](N)CO)C(N)=O ZINC000049070665 GA Annotated Anodyne NC(=O)NC[C@@H](NC(=O)[C@H](O)[C@@H](O)[C@@H](N)[C@@H](O)C[C@@H](O)[C@@H](N)CO)C(N)=O ZINC000049071544 GA Annotated Anodyne CO[P@](=O)(O)Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O ZINC000049089997 GA Annotated Anodyne NC(=O)NC[C@H](NC(=O)[C@H](O)[C@@H](O)[C@@H](N)[C@@H](O)C[C@@H](O)[C@@H](N)CO)C(N)=O ZINC000049115406 GA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)[C@H](C)C4(OCCO4)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000049836717 GA Annotated Mild Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)C[S@](=O)C[S@](C)=O ZINC000005410768 GA Annotated Anodyne in-vitro C[C@H]1C(=O)C2=C(C(=O)C13OCCO3)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C ZINC000053128200 GA Annotated Mild CO[C@@H](C(=O)N[C@@H]1CC[C@@H](O)CNC1=O)[C@@H](O)[C@H](O)[C@H](O)/C=C/C(C)(C)C ZINC000053683873 GA Annotated Anodyne in-vivo Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)NC2=O)cc1 ZINC000005831913 GA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N/C1=C/c1ccc(Cl)cc1 ZINC000005831964 GA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N/C1=C\c1ccc(Cl)cc1 ZINC000005832065 GA Annotated Mild CO[C@@H](C(=O)N[C@H]1CC[C@@H](O)CNC1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C ZINC000005884811 GA Annotated Anodyne NCC(=O)N[C@H](CCC[C@@H](NC(=O)CN)P(=O)(O)O)P(=O)(O)O ZINC000005887563 GA Annotated Anodyne NCC(=O)N[C@@H](CCC[C@H](NC(=O)CN)P(=O)(O)O)P(=O)(O)O ZINC000005887579 GA Annotated Anodyne CO[C@@H](C(=O)N[C@H]1CC[C@H](O)CN(C)C1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)C ZINC000005962418 GA Annotated Anodyne CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@H](N)C[C@H](OC)[C@@H](N(C)C(=O)CN)[C@H]2O)O1 ZINC000005996401 GA Annotated Anodyne in-vitro CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@H](OC)[C@@H](N(C)C(=O)CN)[C@H]2O)O1 ZINC000005996403 GA Annotated Anodyne in-vitro CC(C)C/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000056874489 GA Annotated Mild in-vitro C[C@@H](CO)/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000056874521 GA Annotated Mild in-vitro C[C@@H](CO)/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000056874522 GA Annotated Mild in-vitro C[C@H](CO)/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000056874524 GA Annotated Mild in-vitro C[C@H](CO)/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000056874525 GA Annotated Mild in-vitro C[n+]1cn([C@@H]2O[C@H](CNc3c(O)c(=O)c3=O)[C@@H](O)[C@H]2O)c2[nH]c(=N)[nH]c(=O)c21 ZINC000584904988 GA Annotated Anodyne CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(C)(C)SN=O ZINC000058503038 GA Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000058533672 GA Annotated Mild Nc1nc(=O)n([C@@H]2O[C@@H]3CO[PH](O)(O)O[C@H]3[C@H]2O)cc1Br ZINC000058548473 GA Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@H]4C#N)C3=O)N1C[C@H]1N[C@H]12 ZINC000058562567 GA Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCO)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000058563620 GA Annotated Mild COCC1=C(OC)C(=O)C2=C(C1=O)N1C[C@H]3N[C@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000058563707 GA Annotated Mild 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 ZINC000058568770 GA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000058577234 GA Annotated Mild CC(=O)N[C@H]([C@@H](O)C[C@@H](OP(=O)(O)O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000058649955 GA Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586890192 GA Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586890219 GA Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586890220 GA Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586890221 GA Annotated Anodyne N=c1[nH]c2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)nc-2c(Cl)[nH]1 ZINC000587218351 GA Annotated Anodyne N=c1[nH]c2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc-2c(Cl)[nH]1 ZINC000587218352 GA Annotated Anodyne N=c1[nH]c2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc-2c(Cl)[nH]1 ZINC000587218353 GA Annotated Anodyne N=c1[nH]c2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)nc-2c(Cl)[nH]1 ZINC000587218354 GA Annotated Anodyne N#Cc1nc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2nc1C#N ZINC000587221053 GA Annotated Mild N#Cc1nc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2nc1C#N ZINC000587221054 GA Annotated Mild N#Cc1nc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2nc1C#N ZINC000587221055 GA Annotated Mild N#Cc1nc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2nc1C#N ZINC000587221057 GA Annotated Mild NC(=O)c1cccc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c12 ZINC000587222276 GA Annotated Anodyne NC(=O)c1cccc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c12 ZINC000587222277 GA Annotated Anodyne NC(=O)c1cccc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c12 ZINC000587222279 GA Annotated Anodyne NC(=O)c1cccc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c12 ZINC000587222280 GA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(O)nc(S)nc2[nH]1)C(=O)O ZINC000587223314 GA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(O)nc(S)nc2[nH]1)C(=O)O ZINC000587223317 GA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(O)nc(S)nc2[nH]1)C(=O)O ZINC000587223319 GA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(O)nc(S)nc2[nH]1)C(=O)O ZINC000587223321 GA Annotated Anodyne N#Cc1nc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2nc1C#N ZINC000587223968 GA Annotated Mild N#Cc1nc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2nc1C#N ZINC000587223970 GA Annotated Mild N#Cc1nc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2nc1C#N ZINC000587223971 GA Annotated Mild N#Cc1nc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2nc1C#N ZINC000587223972 GA Annotated Mild CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(O)ncnc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587234811 GA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(C)cnc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235200 GA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cnncc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235217 GA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cncc(C)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235243 GA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(N)ncc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235469 GA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(C)nccc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235498 GA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(N)ccnc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235512 GA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3ccnc(N)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235726 GA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(N)ncnc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235805 GA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(C)ccnc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587236049 GA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c[nH]c(=N)[nH]c-3n2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587236066 GA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](N)[C@@H](O[C@H](C)C(=O)O)[C@H](O)[C@H](O)CO)O2 ZINC000587388508 GA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](N)[C@@H](O[C@H](C)C(=O)O)[C@H](O)[C@H](O)CO)O2 ZINC000587388509 GA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCOCC1)([C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587402085 GA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCOCC1)([C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587402086 GA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587433323 GA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587433324 GA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](NC(C)=O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587433325 GA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](NC(C)=O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587433326 GA Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587476499 GA Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587476506 GA Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587486931 GA Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587486939 GA Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587491986 GA Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587491987 GA Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2=O ZINC000587491988 GA Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587491989 GA Annotated Anodyne O=C1C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587528618 GA Annotated Anodyne O=C1C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587528619 GA Annotated Anodyne O=C1C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587528620 GA Annotated Anodyne O=C1C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587528621 GA Annotated Anodyne O=C1C[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529722 GA Annotated Anodyne O=C1C[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529723 GA Annotated Anodyne O=C1C[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531399 GA Annotated Anodyne O=C1C[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531400 GA Annotated Anodyne CC(=O)C(=O)[C@@](O)(C(C)=O)[C@@](O)(c1ccc2c(O)nc(O)nc2n1)[C@@H](C)O ZINC000587560828 GA Annotated Clean CC(=O)C(=O)[C@@](O)(c1ccc2c(O)nc(O)nc2n1)[C@@](O)(C(C)=O)[C@@H](C)O ZINC000587561142 GA Annotated Clean CC(=O)[C@](O)(C(=O)c1ccc2c(O)nc(O)nc2n1)[C@@](O)(C(C)=O)[C@@H](C)O ZINC000587562003 GA Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O ZINC000587608000 GA Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O ZINC000587608006 GA Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O ZINC000587608007 GA Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O ZINC000587608008 GA Annotated Anodyne OC[C@H]1O[C@H](C[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl ZINC000059064808 GA Annotated Reactive in-vitro O=S(=O)(O)O/N=C(\CCCO)S[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1CO ZINC000059207438 GA Annotated Mild in-vitro O=S(=O)(O)O/N=C(\CCCO)S[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1CO ZINC000059207439 GA Annotated Mild in-vitro O=S(=O)(O)O/N=C(\CCCO)S[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO ZINC000059207441 GA Annotated Mild in-vitro O=S(=O)(O)O/N=C(\CCCO)S[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO ZINC000059207442 GA Annotated Mild in-vitro C=C[C@@H](O)C/C(=N/OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000059586491 GA Annotated Mild in-vitro biogenic C=C[C@H](O)C/C(=N/OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000059589377 GA Annotated Mild in-vitro biogenic COC(=O)c1ccc(CN2[C@H](C(=O)OC)C[C@@]3(O)[C@H](O)[C@H](O)[C@H](O)C[C@@H]23)cc1 ZINC000059722024 GA Annotated Anodyne C[C@@H]1O[C@@H](OC2[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]2O)[C@@H](N)C[C@@H]1/N=C(\N)C(=O)O ZINC000059880624 GA Annotated Mild CC(=O)OC[C@H]1On2nnnc2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000006006874 GA Annotated Anodyne CC(=O)Nc1nc(C)c(S(=O)(=O)/N=C(\O)N[C@H]2NC(=O)NC2=O)s1 ZINC000006017985 GA Annotated Mild CO[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O ZINC000006021124 GA Annotated Anodyne in-vitro CO[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O ZINC000006030217 GA Annotated Anodyne in-vitro CO[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O ZINC000006036928 GA Annotated Anodyne in-vitro CO[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O ZINC000006037005 GA Annotated Anodyne in-vitro CN1C[C@@H](CO)O[C@@H](n2cnc3c(N4CCN(CCO)CC4)ncnc32)C1 ZINC000061907216 GA Annotated Anodyne N#CCOc1ccccc1CNC[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@H](O)[C@@H]1O ZINC000061931301 GA Annotated Mild NC(=O)c1ncn([C@@H]2O[C@H](CNCc3cccn3-c3ccncc3)[C@@H](O)[C@H]2O)n1 ZINC000061935918 GA Annotated Anodyne CC(C)CN1C(=O)NC(=O)[C@H](C(=O)CN2CCC[C@H](S(N)(=O)=O)C2)[C@@H]1N ZINC000618014621 GA Annotated Anodyne CC(C)CN1C(=O)NC(=O)[C@H](C(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)[C@@H]1N ZINC000618014629 GA Annotated Anodyne CC(C)CN1C(=O)NC(=O)[C@H](C(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)[C@H]1N ZINC000618014631 GA Annotated Anodyne CC(C)CN1C(=O)NC(=O)[C@H](C(=O)CN2CCC[C@H](S(N)(=O)=O)C2)[C@H]1N ZINC000618014633 GA Annotated Anodyne C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2)[C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2C1 ZINC000618015295 GA Annotated Anodyne C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2)[C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2C1 ZINC000618015299 GA Annotated Anodyne C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2)[C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2C1 ZINC000618015300 GA Annotated Anodyne CCOC(=O)N1CCN(C[C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2CC(C)=O)CC1 ZINC000618015660 GA Annotated Anodyne CCOC(=O)N1CCN(C[C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2CC(C)=O)CC1 ZINC000618015661 GA Annotated Anodyne CCOC(=O)N1CCN(C[C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2CC(C)=O)CC1 ZINC000618015662 GA Annotated Anodyne CCOC(=O)N1CCN(C[C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2CC(C)=O)CC1 ZINC000618015663 GA Annotated Anodyne O=C1NCCCC[C@@H]1NS(=O)(=O)[C@@H]1CC[C@@H]2NC[C@H](C(=O)O)C(=O)[C@@H]2C1 ZINC000618016673 GA Annotated Anodyne O=C1NCCCC[C@@H]1NS(=O)(=O)[C@@H]1CC[C@@H]2NC[C@@H](C(=O)O)C(=O)[C@H]2C1 ZINC000618016674 GA Annotated Anodyne O=C1NCCCC[C@@H]1NS(=O)(=O)[C@@H]1CC[C@@H]2NC[C@@H](C(=O)O)C(=O)[C@@H]2C1 ZINC000618016675 GA Annotated Anodyne O=C1NCCCC[C@@H]1NS(=O)(=O)[C@@H]1CC[C@@H]2NC[C@H](C(=O)O)C(=O)[C@H]2C1 ZINC000618016676 GA Annotated Anodyne CS(=O)(=O)CC[C@H](N)C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000064390688 GA Annotated Bother CS(=O)(=O)CC[C@H](N)C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000064393115 GA Annotated Bother CS(=O)(=O)CC[C@H](N)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000064448689 GA Annotated Bother CS(=O)(=O)CC[C@H](N)C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000064453474 GA Annotated Bother CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2CCC[C@@H]([C@H](C)N)O2)[C@H](O)[C@@H]1N(C)C(=O)CN ZINC000064548902 GA Annotated Anodyne CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2CCC[C@H]([C@H](C)N)O2)[C@H](O)[C@@H]1N(C)C(=O)CN ZINC000064548903 GA Annotated Anodyne C[C@H]1O[C@H]2C3=C(C(=O)[C@@H]4O[C@@H]4[C@H]3O)[C@@H]1[C@H]1C3=C([C@@H]2O[C@@H]1C)[C@H](O)[C@H]1O[C@H]1C3=O ZINC000064622632 GA Annotated Mild in-vitro CO[C@@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O)[C@@H]2O)O[C@@H](C)[C@@H](OC(C)=O)[C@H]1OC ZINC000064633756 GA Annotated Anodyne in-vitro CO[C@@H]1[C@H](O[C@@H]2[C@@H](C(=O)O)O[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](C)[C@@H](NC(C)=O)[C@H]1O ZINC000064633759 GA Annotated Anodyne in-vitro COC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O)[C@H](OC)[C@@H]2OC)[C@H](O)[C@@H](OC)[C@@H]1O ZINC000064633776 GA Annotated Anodyne in-vitro N[C@@H](CO)C(=O)NCCCOCCCCOCCCNC(=O)[C@@H](N)CO ZINC000653700240 GA Annotated Anodyne CO[C@H]1O[C@H]([C@@H](O)CNS(=O)(=O)c2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000653856885 GA Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@H](O)CN(CCc1ccccc1)C[C@@H](O)[C@H](O)[C@H](O)CO ZINC000653857557 GA Annotated Anodyne COC(=O)C[C@H](NC(=O)CNc1nc(NC(C)=O)[nH]c2ncnc1-2)C(=O)OC ZINC000653878785 GA Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@@H](O)CN(CCc1ccccc1)C[C@H](O)[C@H](O)[C@H](O)CO ZINC000653878825 GA Annotated Anodyne OC[C@@H](O)[C@H](O)[C@@H](O)CN(CCc1ccccc1)C[C@H](O)[C@@H](O)[C@H](O)CO ZINC000653897484 GA Annotated Anodyne C[C@@H]1NCC(COP(=O)(O)O)=C(CN[C@@H](/C=C/OCCN)C(=O)O)C1=O ZINC000065731264 GA Annotated Mild in-vitro C[C@@H]1NCC(COP(=O)(O)O)=C(CN[C@H](/C=C/OCCN)C(=O)O)C1=O ZINC000065731267 GA Annotated Mild in-vitro CN(C(=O)C[C@@H](N)C1CCN(C(=N)N)CC1)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066066476 GA Annotated Mild CN(C(=O)C[C@@H](N)C1CCN(C(=N)N)CC1)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066066477 GA Annotated Mild CN(C(=O)C[C@@H](N)CCCN1CCNC1=N)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066073830 GA Annotated Mild CN(C(=O)C[C@@H](N)CCCN1CCNC1=N)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066073831 GA Annotated Mild CN(C)/C(O)=N/C1=NC(=O)[C@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)CN1 ZINC000066074458 GA Annotated Mild CN(C)/C(O)=N/C1=NC(=O)[C@@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)CN1 ZINC000066074459 GA Annotated Mild CN(C(=O)C[C@@H](N)CCCNC(=N)N)[C@@H]1CNC(N2CCNC2=O)=NC1=O ZINC000066074460 GA Annotated Anodyne CN(C(=O)C[C@@H](N)CCCNC(=N)N)[C@H]1CNC(N2CCNC2=O)=NC1=O ZINC000066074461 GA Annotated Anodyne CC(=O)NC(=N)NCCC[C@H](N)CC(=O)N(C)[C@@H]1CNC(/N=C(/N)O)=NC1=O ZINC000066076722 GA Annotated Mild CC(=O)NC(=N)NCCC[C@H](N)CC(=O)N(C)[C@H]1CNC(/N=C(/N)O)=NC1=O ZINC000066076726 GA Annotated Mild CN(C)c1cc(NC[C@H]2O[C@@H](N3C=N[C@H]4C(=O)NC=N[C@@H]43)[C@H](O)[C@@H]2O)ncn1 ZINC000066077544 GA Annotated Anodyne CN(C)c1cc(NC[C@H]2O[C@@H](N3C=N[C@@H]4C(=O)NC=N[C@@H]43)[C@H](O)[C@@H]2O)ncn1 ZINC000066077546 GA Annotated Anodyne CN(C)c1cc(NC[C@H]2O[C@@H](N3C=N[C@H]4C(=O)NC=N[C@H]43)[C@H](O)[C@@H]2O)ncn1 ZINC000066077548 GA Annotated Anodyne CN(C)c1cc(NC[C@H]2O[C@@H](N3C=N[C@@H]4C(=O)NC=N[C@H]43)[C@H](O)[C@@H]2O)ncn1 ZINC000066077550 GA Annotated Anodyne CN(C(=O)C[C@@H](N)CC1CCN(C(=N)N)CC1)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066098100 GA Annotated Mild CN(C(=O)C[C@@H](N)CC1CCN(C(=N)N)CC1)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066098103 GA Annotated Mild CN(C)C(=N)NCCC[C@H](N)CC(=O)N(C)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066098821 GA Annotated Mild CN(C)C(=N)NCCC[C@H](N)CC(=O)N(C)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066098823 GA Annotated Mild C/N=C(/NC)NCCC[C@H](N)CC(=O)N(C)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066099292 GA Annotated Mild C/N=C(/NC)NCCC[C@H](N)CC(=O)N(C)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066099293 GA Annotated Mild CN(C(=O)C[C@@H](N)C[C@H]1CCN(C(=N)N)C1)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066136628 GA Annotated Mild CN(C(=O)C[C@@H](N)C[C@H]1CCN(C(=N)N)C1)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066136629 GA Annotated Mild NCCCC[C@H](N)C(=O)N[C@@H]1C[C@H](N)[C@@]2(CC[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O ZINC000066259713 GA Annotated Anodyne C[C@@H](O)CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000069482068 GA Annotated Mild in-vitro biogenic CCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000069482290 GA Annotated Mild in-vitro biogenic O=S(=O)(O)O/N=C(\CCCCO)S[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000069482373 GA Annotated Mild in-vitro biogenic C=C1C=C[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O ZINC000070457366 GA Annotated Mild in-vitro biogenic CC(=O)OC[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c3c(cc4c(c3O)OCO4)[C@@H]12 ZINC000072175697 GA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@H]3[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2[C@]31C ZINC000073169709 GA Annotated Mild in-vitro CN(CCN(C)C(=O)CCOS(C)(=O)=O)C(=O)CCOS(C)(=O)=O ZINC000073387530 GA Annotated Mild O=S1(=O)N[C@H]2CC[C@@H]3NS(=O)(=O)N[C@H]4CC[C@H](N1)N4S(=O)(=O)N23 ZINC000008034781 GA Annotated Anodyne C[C@]12C3=CC(=O)O[C@H]([C@](C)(O)CO)[C@]34O[C@@H]4[C@H]3OC(=O)[C@@](C)([C@@H](O)[C@@H]4O[C@@H]41)[C@H]32 ZINC000008234266 GA Annotated Anodyne in-vitro biogenic C[C@H]1[C@H](O)[C@@]23O[C@]2([C@@H](O)[C@]1(O)C(=O)[C@H]1O[C@@H]1C)[C@H](O)c1c(O)cccc1C3=O ZINC000082230510 GA Annotated Anodyne C[C@H]1[C@H](O)[C@@]23O[C@]2([C@@H](O)[C@@]1(O)C(=O)[C@H]1O[C@@H]1C)[C@H](O)c1c(O)cccc1C3=O ZINC000082230511 GA 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 ZINC000084462605 GA Annotated Mild Cn1c(=O)n(C)c(=O)n(CCCCCCS(=O)(=O)CC(=O)NN)c1=O ZINC000084713646 GA Annotated Reactive CC1=CC(=O)C[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@@H]3[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O ZINC000085488985 GA Annotated Mild in-vitro biogenic COc1cc([C@H]2O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]2CO)cc(OC)c1O ZINC000085506166 GA Annotated Anodyne in-vitro biogenic C[C@H](O)[C@@H]1OC(=O)[C@H](O)C2=C1[C@H](O)[C@H]1OC(=O)[C@]3(C)[C@@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O ZINC000085509019 GA Annotated Anodyne in-vitro biogenic C=C(C)[C@@H](C#N)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000085531646 GA Annotated Mild in-vitro biogenic C=C[C@H](O)/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000085531653 GA Annotated Mild in-vitro biogenic C[C@H]1O[C@@H]1C(=O)[C@@]1(O)[C@H](O)[C@]23O[C@]2(C(=O)c2cccc(O)c2[C@H]3O)[C@H](O)[C@H]1C ZINC000085548206 GA Annotated Anodyne N=C1N[C@H]2[C@H](CO/C(O)=N/S(=O)(=O)O)N(O)C(=N)N3CCC(O)(O)[C@]23N1 ZINC000085550691 GA Annotated Mild in-vitro C[C@H](OS(=O)(=O)O)[C@@H]1C(=O)N2C(C(=O)O)=C([S@@](=O)CC(=O)O)C[C@H]12 ZINC000085552928 GA Annotated Anodyne C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085559328 GA Annotated Mild O=C(Oc1c(CO)nc2cccc[c-]12)[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1OCCCO ZINC000085569279 GA Annotated Anodyne in-vitro biogenic C/C=C/C#CC#C[C@@H](O)[C@@H](/C=C/CCCO)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000085643820 GA Annotated Mild in-vitro biogenic C=CC[C@H](S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N(C)OS(=O)(=O)O ZINC000085648587 GA Annotated Mild in-vitro biogenic COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)[C@H](O)[C@H](O)C(=O)O ZINC000085794993 GA Annotated Clean in-man COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)[C@H](O)[C@H](O)C(=O)O ZINC000085794995 GA Annotated Clean in-man COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H](O)[C@H](O)C(=O)O ZINC000085794997 GA Annotated Clean in-man COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H](O)[C@H](O)C(=O)O ZINC000085795003 GA Annotated Clean in-man COC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O ZINC000085795011 GA Annotated Clean in-man COC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O ZINC000085795013 GA Annotated Clean in-man COC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O ZINC000085795015 GA Annotated Clean in-man COC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O ZINC000085795017 GA Annotated Clean in-man COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)OC ZINC000085795019 GA Annotated Clean in-man COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H](O)[C@H](O)C(=O)OC ZINC000085795023 GA Annotated Clean in-man COC(=O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H](O)[C@@H](O)C(=O)OC ZINC000085795024 GA Annotated Clean in-man COC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)OC ZINC000085795026 GA Annotated Clean in-man C=C1[C@H](O)[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=C[C@@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800100 GA Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)[C@@H](O)C[C@@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800101 GA Annotated Mild in-man N=C1N[C@@H]2[C@@H](CO/C(O)=N/S(=O)(=O)O)NC(=N)N3CCC(O)(O)[C@@]23N1 ZINC000085847722 GA Annotated Mild in-man biogenic N=C1N[C@@H]2[C@@H](COC(=O)NS(=O)(=O)O)N(O)C(=N)N3CCC(O)(O)[C@@]23N1 ZINC000085847752 GA Annotated Anodyne in-man biogenic O=C1C=C[C@]2(C[C@@H](O)OC3=C2C(=O)C2=C(C3=O)[C@]3(C=CC(=O)O3)C[C@H](O)O2)O1 ZINC000085872658 GA Annotated Mild CC(C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H]1CC[C@@](CO)([C@H](O)CO)O1 ZINC000085877420 GA Annotated Anodyne in-man CC(C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]1CC[C@@](CO)([C@H](O)CO)O1 ZINC000085877422 GA Annotated Anodyne in-man CC(C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H]1CC[C@](CO)([C@H](O)CO)O1 ZINC000085877426 GA Annotated Anodyne in-man CC(C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]1CC[C@](CO)([C@H](O)CO)O1 ZINC000085877428 GA Annotated Anodyne in-man C=C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085878363 GA Annotated Mild in-man C=C[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085878369 GA Annotated Mild in-man C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085911483 GA Annotated Mild in-man C[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085911484 GA Annotated Mild in-man C[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085911486 GA Annotated Mild in-man C[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085911488 GA Annotated Mild in-man COc1cc(CCCO)ccc1O[C@@H](CO)CO[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O ZINC000085911505 GA Annotated Anodyne in-man COc1cc(CCCO)ccc1O[C@H](CO)CO[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O ZINC000085911507 GA Annotated Anodyne in-man COc1cc(CCCO)ccc1O[C@@H](CO)CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O ZINC000085911510 GA Annotated Anodyne in-man COc1cc(CCCO)ccc1O[C@H](CO)CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O ZINC000085911512 GA Annotated Anodyne in-man N=C1N[C@H]2[C@@H](COC(N)=O)NC(=N)N3C[C@H](OS(=O)(=O)O)C(O)(O)[C@]23N1 ZINC000085911987 GA Annotated Anodyne in-man O=C1C[C@@H](O[C@H]2O[C@@H](CO)[C@@H](OC(=O)Cc3ccc(O)cc3)[C@@H](O)[C@H]2O)CO1 ZINC000085917071 GA Annotated Anodyne in-man O=C1C[C@@H](O[C@H]2O[C@@H](CO)[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H](O)[C@H]2O)CO1 ZINC000085917078 GA Annotated Anodyne in-man O=C1C[C@@H](O[C@H]2O[C@H](CO)[C@@H](OC(=O)Cc3ccc(O)cc3)[C@@H](O)[C@H]2O)CO1 ZINC000085917082 GA Annotated Anodyne in-man O=C1C[C@@H](O[C@H]2O[C@H](CO)[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H](O)[C@H]2O)CO1 ZINC000085917084 GA Annotated Anodyne in-man CC(C)=CCO[C@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086049935 GA Annotated Anodyne in-man CC(C)=CCO[C@@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086049937 GA Annotated Anodyne in-man CC(C)=CCO[C@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000086049938 GA Annotated Anodyne in-man CC(C)=CCO[C@@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000086049941 GA Annotated Anodyne in-man CC(C)=CCO[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086049942 GA Annotated Anodyne in-man CC(C)=CCO[C@@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086049944 GA Annotated Anodyne in-man CC(C)=CCO[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000086049946 GA Annotated Anodyne in-man CC(C)=CCO[C@@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000086049948 GA Annotated Anodyne in-man C=C(C)CCO[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086049962 GA Annotated Mild in-man C=C(C)CCO[C@@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086049964 GA Annotated Mild in-man C=C(C)CCO[C@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000086049966 GA Annotated Mild in-man C=C(C)CCO[C@@H]1O[C@@H](CO[C@H]2OC[C@@](O)(CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000086049968 GA Annotated Mild in-man CC(C)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086052029 GA Annotated Mild in-man CC(C)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086052030 GA Annotated Mild in-man CSCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086052359 GA Annotated Mild in-man CSCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086052360 GA Annotated Mild in-man N=C1N[C@@H](COC(N)=O)[C@H]2NC(N)=N[C@@]23N1C[C@@H](OS(=O)(=O)O)C3(O)O ZINC000090586586 GA Annotated Anodyne in-man biogenic NC1=N[C@@]23[C@H](N1)[C@H](COC(=O)NS(=O)(=O)O)N=C(N)N2CCC3(O)O ZINC000090636267 GA Annotated Anodyne in-man biogenic CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@@H](O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H](O)[C@@H]41)[C@H](O)[C@H]23 ZINC000095099055 GA Annotated Mild in-vitro biogenic C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(CO)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095559088 GA Annotated Anodyne in-vitro biogenic O=C1CC[C@@H](Cc2ccc(O)c(O[C@H]3[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]3C(=O)O)c2)O1 ZINC000095617844 GA Annotated Anodyne in-man O=C1CC[C@H](Cc2ccc(O)c(O[C@H]3[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]3C(=O)O)c2)O1 ZINC000095617845 GA Annotated Anodyne in-man O=C1CC[C@@H](Cc2ccc(O)c(O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]3C(=O)O)c2)O1 ZINC000095617846 GA Annotated Anodyne in-man O=C1CC[C@H](Cc2ccc(O)c(O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]3C(=O)O)c2)O1 ZINC000095617847 GA Annotated Anodyne in-man O=C1CC[C@@H](Cc2cc(O)cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)O1 ZINC000095620811 GA Annotated Anodyne in-man O=C1CC[C@H](Cc2cc(O)cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)O1 ZINC000095620812 GA Annotated Anodyne in-man O=C1CC[C@@H](Cc2ccc(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2)O1 ZINC000095626099 GA Annotated Anodyne in-man O=C1CC[C@H](Cc2ccc(O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2)O1 ZINC000095626100 GA Annotated Anodyne in-man COC(=O)[C@H]1O[C@@H](Oc2cc(O)cc(C[C@@H]3CCC(=O)O3)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095626141 GA Annotated Anodyne in-man COC(=O)[C@H]1O[C@H](Oc2cc(O)cc(C[C@@H]3CCC(=O)O3)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095626142 GA Annotated Anodyne in-man COC(=O)[C@H]1O[C@@H](Oc2cc(O)cc(C[C@H]3CCC(=O)O3)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095626143 GA Annotated Anodyne in-man COC(=O)[C@H]1O[C@H](Oc2cc(O)cc(C[C@H]3CCC(=O)O3)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095626144 GA Annotated Anodyne in-man O=S(=O)(O)O/N=C(\CCCCO)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095636071 GA Annotated Mild in-vitro 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@@](O)(CO)C2=O ZINC000095913365 GA Annotated Anodyne in-vitro biogenic CC(C)=CC(=O)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000095913586 GA Annotated Anodyne in-vitro biogenic COC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)OC ZINC000095913755 GA Annotated Clean in-vitro biogenic COC(=O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O ZINC000095913757 GA Annotated Clean in-vitro biogenic COC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O ZINC000095913758 GA Annotated Clean in-vitro biogenic CC(=O)O[C@@]1(C)CC[C@]2(O)C=CO[C@@H](O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 ZINC000095914812 GA Annotated Anodyne in-vitro biogenic C=C(CCO)C(=O)O[C@@H]1O[C@H](COC(=O)C(=C)[C@H](O)CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095919270 GA Annotated Mild in-vitro biogenic C=C[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000096300387 GA Annotated Mild in-man C=C[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000096300388 GA Annotated Mild in-man Nc1ccn([C@@H]2O[C@@](CO)(n3cc(C4(O)CCCC4)nn3)[C@@H](O)[C@@H]2F)c(=O)n1 ZINC000096907159 GA Annotated Anodyne CO[C@H]1O[C@H](CO)[C@H](O)C2=C1SC[C@]1(C[C@H](O)[C@H](O)[C@H]([C@H](O)CO)O1)O2 ZINC000096928715 GA Annotated Anodyne CC(C)(C)OC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN ZINC000096928716 GA Annotated Anodyne CC(C)O[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)O ZINC000098209139 GA Annotated Anodyne NC1=NC(=O)[C@]2(N1)C(=O)NC(=O)N2[C@H]1C[C@H](O)[C@@H](CO[PH](O)(O)O)O1 ZINC000098209395 GA Annotated Anodyne