COc1cc(S(=O)(=O)NC[C@H]2COCCO2)ccc1-n1cnnn1 ZINC000001325494 FB Annotated Anodyne COc1cc(S(=O)(=O)NC[C@@H]2COCCO2)ccc1-n1cnnn1 ZINC000001325496 FB Annotated Anodyne CC(=O)[C@]12O[C@]3(COC[C@H](c4ccccc4)N3C1=O)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000100263551 FB Annotated Anodyne O=C1C=C2N=c3c(c4c(c5c6c([nH]c35)=C(O)CC(=O)C=6)C=NC4=O)=C2CC1 ZINC000100303376 FB Annotated Mild in-vitro C[C@]12CC(=O)[C@]3(O)[C@](O)(CC[C@@]4(O)C(=O)c5c(O)cccc5C(=O)[C@]43O1)C2 ZINC000100308668 FB Annotated Clean in-vitro C[C@@]12CC(=O)[C@]3(O)[C@](O)(CC[C@@]4(O)C(=O)c5c(O)cccc5C(=O)[C@]43O1)C2 ZINC000100308673 FB Annotated Clean in-vitro C[C@]12CC(=O)[C@@]3(O)[C@](O)(CC[C@@]4(O)C(=O)c5c(O)cccc5C(=O)[C@]43O1)C2 ZINC000100308677 FB Annotated Clean in-vitro C[C@@]12CC(=O)[C@@]3(O)[C@](O)(CC[C@@]4(O)C(=O)c5c(O)cccc5C(=O)[C@]43O1)C2 ZINC000100308682 FB Annotated Clean in-vitro C=C1C[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 ZINC000100783017 FB Annotated Mild in-man endogenous C=C1C[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 ZINC000100783018 FB Annotated Mild in-man endogenous C=C1C[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 ZINC000100783020 FB Annotated Mild in-man endogenous C=C1C[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 ZINC000100783022 FB Annotated Mild in-man endogenous COC1=C(C)C(=O)C2=C(C1=O)[C@H](CC(=O)ON)[C@@]1(OC)[C@@H]3[C@H](CN21)N3C ZINC000100788545 FB Annotated Mild C#CCOC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@@H]3CN21 ZINC000100800443 FB Annotated Mild CC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@H]3N[C@H]3[C@]1(OC)[C@H]2COC(N)=O ZINC000100812426 FB Annotated Mild CC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@H]3N[C@H]3[C@@]1(OC)[C@H]2COC(N)=O ZINC000100812427 FB Annotated Mild COC(=O)[C@@H](CO)O[C@@H](O[C@H](C#N)c1ccccc1)[C@@H](O)C(=O)OC ZINC000100823844 FB Annotated Mild in-man COC(=O)[C@H](CO)O[C@@H](O[C@H](C#N)c1ccccc1)[C@@H](O)C(=O)OC ZINC000100823847 FB Annotated Mild in-man COC(=O)[C@@H](CO)O[C@H](O[C@H](C#N)c1ccccc1)[C@@H](O)C(=O)OC ZINC000100823848 FB Annotated Mild in-man COC(=O)[C@H](CO)O[C@H](O[C@H](C#N)c1ccccc1)[C@@H](O)C(=O)OC ZINC000100823849 FB Annotated Mild in-man COCCO[C@H](COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O ZINC000100840768 FB Annotated Mild COCCO[C@@H](COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O ZINC000100840769 FB Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(Cl)C(=N)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000100858234 FB Annotated Mild C=CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000100998865 FB Annotated Mild C=CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000100998866 FB Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1C(=O)[C@]3(O)[C@H]2O ZINC000101122084 FB Annotated Mild CN1CN(C)c2nc3n(Cc4ccccc4)c(=O)/c(=C\O)c(=O)n3c2C1=O ZINC000101166468 FB Annotated Anodyne CCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(OC)[C@@H]2COC(N)=O ZINC000101231966 FB Annotated Mild CCOC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@@H]3CN21 ZINC000101254257 FB Annotated Mild O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1[C@H](O)C=C4S[C@@H](C[C@@]43[C@H]1O)N2 ZINC000101329980 FB Annotated Mild CC(C)C[C@H](NC(=O)[C@]1(NC(=O)[C@H](C)N)CC[C@H]2[C@H](C(=O)O)[C@@H]21)C(=O)O ZINC000101365698 FB Annotated Anodyne CC(C)C[C@H](NC(=O)[C@]1(NC(=O)[C@H](C)N)CC[C@@H]2[C@H](C(=O)O)[C@H]21)C(=O)O ZINC000101365702 FB Annotated Anodyne COC(=O)C1=C(C)NC(=O)[C@@]1(NC(=O)CN1CCCC1=O)C(F)(F)F ZINC000101488591 FB Annotated Anodyne COC(=O)C1=C(C)NC(=O)[C@]1(NC(=O)CN1CCCC1=O)C(F)(F)F ZINC000101488592 FB Annotated Anodyne CO[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000101651412 FB Annotated Anodyne CO[C@@H]1CC[C@](C)(O)C(C(=O)[C@@]2(C)NC(=O)CC[C@H](N)C(=O)O2)=C1O ZINC000101716338 FB Annotated Mild CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@@](OC(C)=O)(C(=O)O)C[C@H]1OC(C)=O ZINC000101864075 FB Annotated Anodyne CC(=O)O[C@H]1[C@@]2(O)OC(=O)C(C)=C2[C@H]2OC(=O)[C@@]3(CC[C@@H]4O[C@@]41C)O[C@@H]23 ZINC000101967099 FB Annotated Anodyne C[C@@H]1[C@@H]2C(=O)O[C@H]1[C@H](O)[C@@H]1[C@]3(C)C(=CC(=O)[C@@]21C)[C@@]1(C)O[C@@H]1C(=O)[C@H]3O ZINC000101979431 FB Annotated Mild C[C@@H]1[C@@H]2C(=O)O[C@H]1[C@H](O)[C@@H]1[C@]3(C)C(=CC(=O)[C@@]21C)[C@]1(C)O[C@H]1C(=O)[C@H]3O ZINC000101979437 FB Annotated Mild CCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@@H]3CN21 ZINC000102199334 FB Annotated Mild CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]12 ZINC000102236858 FB Annotated Anodyne CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(CC)C(=O)[C@H]12 ZINC000102464550 FB Annotated Reactive Cn1c(=O)n2n(c1=O)[C@H]1[C@H](O)[C@H]3O[C@@H]3/C(=N/OCc3ccccc3)[C@@H]1CC2 ZINC000102733430 FB Annotated Mild CO/N=C1\[C@@H]2CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@H]2[C@H](O)[C@H]2O[C@H]12 ZINC000102844710 FB Annotated Mild CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@H]3CC[C@@H]12 ZINC000102845678 FB Annotated Reactive CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3CC[C@@H]12 ZINC000102854650 FB Annotated Reactive Cn1c(-n2[nH]c3c(c2=O)C(=O)CC(=O)O3)nc(-c2ccco2)c(C#N)c1=O ZINC000103135990 FB Annotated Mild O=C(CCl)NC1=NC=N[C@H]2C1=C1CCCN1[C@@]2(O)N1CCOCC1 ZINC000103170076 FB Annotated Reactive O=C(CCl)NC1=NC=N[C@@H]2C1=C1CCCN1[C@@]2(O)N1CCOCC1 ZINC000103170079 FB Annotated Reactive O=C(CCl)NC1=NC=N[C@H]2C1=C1CCCN1[C@]2(O)N1CCOCC1 ZINC000103170081 FB Annotated Unstable O=C(CCl)NC1=NC=N[C@@H]2C1=C1CCCN1[C@]2(O)N1CCOCC1 ZINC000103170083 FB Annotated Unstable COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC2C(=O)NC(=O)NC2=O)cc1 ZINC000103200844 FB Annotated Reactive COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC2C(=O)NC(=O)NC2=O)cc1 ZINC000103200848 FB Annotated Reactive COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC2C(=O)NC(=O)NC2=O)cc1 ZINC000103200850 FB Annotated Reactive COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC2C(=O)NC(=O)NC2=O)cc1 ZINC000103200854 FB Annotated Reactive COc1cc([C@@H]2[C@H](Cl)C(=O)N2NC2C(=O)NC(=O)NC2=O)ccc1O ZINC000103200858 FB Annotated Reactive COc1cc([C@H]2[C@H](Cl)C(=O)N2NC2C(=O)NC(=O)NC2=O)ccc1O ZINC000103200861 FB Annotated Reactive COc1cc([C@@H]2[C@@H](Cl)C(=O)N2NC2C(=O)NC(=O)NC2=O)ccc1O ZINC000103200864 FB Annotated Reactive COc1cc([C@H]2[C@@H](Cl)C(=O)N2NC2C(=O)NC(=O)NC2=O)ccc1O ZINC000103200866 FB Annotated Reactive CS[C@]1(CO)C(=O)N2C[C@H]3C(=CC=C[C@@H]3O)[C@@]2(SC)C(=O)N1C ZINC000103202556 FB Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@]1(C)[C@@]21CO1 ZINC000103213841 FB Annotated Mild Cc1ccc(S(=O)(=O)N/N=C/C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000103238323 FB Annotated Mild CCOP(=O)(OCC)[C@H](O)Cn1cc(Cn2ncc(=O)[nH]c2=O)nn1 ZINC000103279822 FB Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)Cn1cc(Cn2ncc(=O)[nH]c2=O)nn1 ZINC000103279824 FB Annotated Anodyne CCOP(=O)(CCn1cc(Cn2ncc(=O)[nH]c2=O)nn1)OCC ZINC000103281578 FB Annotated Anodyne N#Cc1cnn2c(=O)[nH]c(SCc3[nH]c(=O)[nH]c(=O)c3Cl)nc12 ZINC000103288856 FB Annotated Mild C=CC[n+]1cn(CC(=O)c2ccc(O)c(C(N)=O)c2)c2nc(N)nc(O)c21 ZINC000103290001 FB Annotated Mild CC[n+]1cn(CC(=O)c2ccc(O)c(C(N)=O)c2)c2nc(N)nc(O)c21 ZINC000103290003 FB Annotated Anodyne C[n+]1cn(CC(=O)c2ccc3c(c2)NC(=O)CO3)c2nc(N)nc(O)c21 ZINC000103292801 FB Annotated Anodyne C[C@@H](O)[C@@H](C=O)[C@@H]1NC(C(=O)O)=C(SC2Cn3cnc[n+]3C2)[C@@H]1C ZINC000103534478 FB Annotated Mild CSCC[C@H](N)[C@@]1(O)N/C(=C\c2ccc(O)cc2)C(=O)N1CC(=O)O ZINC000103540871 FB Annotated Anodyne CSCC[C@@H](N)[C@@]1(O)N/C(=C\c2ccc(O)cc2)C(=O)N1CC(=O)O ZINC000103540875 FB Annotated Anodyne C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]12 ZINC000103554607 FB Annotated Mild in-vitro biogenic CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]12 ZINC000103557305 FB Annotated Mild in-vitro biogenic CCC(=O)N[C@H]1c2[nH]c(CCc3ccccc3)c[n+]2[C@H](CO)[C@@H](O)[C@@H]1O ZINC000103559710 FB Annotated Anodyne C[C@H](O)[C@H]1OC(=O)C=C2[C@]3(C)[C@@H]4[C@H](OC(=O)[C@@]4(C)[C@@H](O)[C@@H]4O[C@@H]43)[C@H]3O[C@@]213 ZINC000103582255 FB Annotated Anodyne in-vitro biogenic O=C(N[C@@H]1CCS(=O)(=O)C1)C1=C/C(=C2\C=C(Cl)C=CC2=O)NN1 ZINC000103995047 FB Annotated Mild O=C(N[C@H]1CCS(=O)(=O)C1)C1=C/C(=C2\C=C(Cl)C=CC2=O)NN1 ZINC000103995052 FB Annotated Mild CCC/N=C1/N(C)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N12 ZINC000104188764 FB Annotated Mild CCC/N=C1/N(CC)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C(=O)OC)N12 ZINC000104188771 FB Annotated Mild C=C1C[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 ZINC000104377860 FB Annotated Mild in-man C=C1C[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 ZINC000104377868 FB Annotated Mild in-man N[C@@H]1[C@@H]2[C@@H]3C[C@@H]4N(CC[C@@]41C(=O)C(=O)O)CC3=CCO[C@@H]2CC(=O)O ZINC000105216501 FB Annotated Anodyne CCOC(=O)C1=NN2[C@@H](O)[C@@]3(C)CC(C(=O)OCC)=NN3[C@H](O)[C@]2(C)C1 ZINC000105360249 FB Annotated Anodyne COC(=O)/C=C\[C@H]1[C@H](C(=O)OC)[C@@]2(C(=O)OC)CC[C@@]1(C(=O)OC)N2 ZINC000105480429 FB Annotated Anodyne COC(=O)/C=C/[C@H]1[C@H](C(=O)OC)[C@@]2(C(=O)OC)CC[C@@]1(C(=O)OC)N2 ZINC000105480431 FB Annotated Anodyne COc1cccc(CN2C[C@H](O)CN(S(C)(=O)=O)CC2=O)c1OC ZINC000105847832 FB Annotated Anodyne COc1cccc(CN2C[C@@H](O)CN(S(C)(=O)=O)CC2=O)c1OC ZINC000105847836 FB Annotated Anodyne COc1cccc(OC)c1CN1C[C@H](O)CN(S(C)(=O)=O)CC1=O ZINC000105850316 FB Annotated Anodyne COc1cccc(OC)c1CN1C[C@@H](O)CN(S(C)(=O)=O)CC1=O ZINC000105850320 FB Annotated Anodyne CCN(CC)[C@@H]1CCN(C(=O)CCn2nnnc2CN2CCOCC2)C1 ZINC000011839258 FB Annotated Anodyne CCN(CC)[C@H]1CCN(C(=O)CCn2nnnc2CN2CCOCC2)C1 ZINC000011839260 FB Annotated Anodyne CS(=O)(=O)n1c(N)nc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1 ZINC000012405547 FB Annotated Anodyne CCN(CC)C(=O)Cn1cc(C(=O)N2CCN(CC)C(=O)[C@@H]2C)nn1 ZINC000012430283 FB Annotated Anodyne O=C(Cn1nnnc1CN1CCCC1)N1CCN(C2CCCC2)C(=O)C1 ZINC000012477381 FB Annotated Anodyne CC(C)N1CC[C@@H](CN(C)C(=O)Cn2nnnc2CN2CCOCC2)C1 ZINC000012713430 FB Annotated Anodyne CC(C)N1CC[C@H](CN(C)C(=O)Cn2nnnc2CN2CCOCC2)C1 ZINC000012713436 FB Annotated Anodyne CC1(C)O[C@H]2O[C@H]([C@H](O)CON3C(=O)c4ccccc4C3=O)[C@H](O)[C@H]2O1 ZINC000013118707 FB Annotated Anodyne O=C(O)CNC(=O)C[C@@H]1SC(NN/C=C2\C=CC=CC2=O)=NC1=O ZINC000013120474 FB Annotated Mild O=C(O)CNC(=O)C[C@H]1SC(NN/C=C2\C=CC=CC2=O)=NC1=O ZINC000013120476 FB Annotated Mild COC1=CC(=CNNC(=S)NCCN2CCOCC2)C=C(OC)C1=O ZINC000013122192 FB Annotated Mild COC1=C/C(=C\NNC(=O)c2c(C)nnn2-c2nonc2N)C(=O)C=C1 ZINC000013122400 FB Annotated Reactive COC1=C/C(=C/NNC(=O)c2c(C)nnn2-c2nonc2N)C=CC1=O ZINC000013123216 FB Annotated Reactive Cn1ncc(NCCn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1=O ZINC000013216885 FB Annotated Anodyne O=C1CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCN1 ZINC000013310154 FB Annotated Anodyne in-vitro COC(=O)[C@@H](O)[C@@H](O[C@H](CO)C(=O)OC)O[C@@H](C#N)c1ccccc1 ZINC000013434197 FB Annotated Mild O=C(NO)C(=O)NCCN(C(=O)C(=O)NO)c1cccc2ccccc12 ZINC000013439919 FB Annotated Anodyne CC[C@@H](C)[C@@H](C(=O)N1CCNCC1)n1cc(CCCN=C(N)N)nn1 ZINC000013478031 FB Annotated Mild CC[C@H](C)[C@@H](C(=O)N1CCNCC1)n1cc(CCCN=C(N)N)nn1 ZINC000013478033 FB Annotated Mild CN(C)[C@@H](CO)c1nnc([C@H](CC(=O)O)NC(=O)C2CCNCC2)o1 ZINC000013478063 FB Annotated Anodyne CN(C)[C@@H](CO)c1nnc([C@H](CCC(=O)O)NC(=O)C2CCNCC2)o1 ZINC000013478137 FB Annotated Anodyne NCCCC[C@H](N)c1nnc([C@H](CC(=O)O)NC(=O)C2CCNCC2)o1 ZINC000013478154 FB Annotated Anodyne N[C@@H](Cc1c[nH]c2c1C(SC[C@H](N)C(=O)O)=CC(=O)C2=O)C(=O)O ZINC000013512719 FB Annotated Mild in-vitro CO[C@@H]1[C@H](OCCO)[C@H](OCC(=O)O)O[C@H](COC(C)C)[C@H]1OC ZINC000013531639 FB Annotated Anodyne NC(=O)[C@H]1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N21 ZINC000013556560 FB Annotated Anodyne NC(=O)[C@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12 ZINC000013556562 FB Annotated Anodyne CCC(CC)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560196 FB Annotated Mild CCC(CC)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560197 FB Annotated Mild CCCN(CC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560228 FB Annotated Mild CCCN(CC)C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560229 FB Annotated Mild CCCCN(CC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560230 FB Annotated Mild CCCCN(CC)C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560231 FB Annotated Mild CCCN(CCC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560238 FB Annotated Mild CCCN(CCC)C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560239 FB Annotated Mild CC(=O)N[C@H](C(=O)N1CCCCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560244 FB Annotated Mild CC(=O)N[C@@H](C(=O)N1CCCCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560245 FB Annotated Mild CC(=O)N[C@H](C(=O)N1CCCCCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560246 FB Annotated Mild CC(=O)N[C@@H](C(=O)N1CCCCCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560247 FB Annotated Mild CC(=O)N[C@H](C(=O)N1CCCC[C@H]1C)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560248 FB Annotated Mild CC(=O)N[C@H](C(=O)N1CCCC[C@@H]1C)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560249 FB Annotated Mild CCC(CC)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560264 FB Annotated Mild CCC(CC)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560265 FB Annotated Mild NC(N)=Nc1nc(-c2cccc(C/C(N)=N/S(N)(=O)=O)n2)cs1 ZINC000013600834 FB Annotated Mild N=C(NCCOCCOCCNC(=N)c1cnccn1)c1cnccn1 ZINC000013648237 FB Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1C/C=C/c1ccccc1 ZINC000013660934 FB Annotated Anodyne CC(C)C[C@H](NC(=O)[C@]1(NC(=O)[C@H](C)N)CC[C@H]2[C@H](C(=O)O)[C@H]21)C(=O)O ZINC000013671587 FB Annotated Anodyne O=C(CCc1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O ZINC000013760870 FB Annotated Clean NC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S(=O)(=O)O)cc1 ZINC000013781305 FB Annotated Anodyne NC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S(=O)(=O)O)cc1 ZINC000013781306 FB Annotated Anodyne O=C(O)[C@@H](O)CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1 ZINC000013803124 FB Annotated Anodyne O=C(O)[C@H](O)CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1 ZINC000013803126 FB Annotated Anodyne COCC(=O)OCCCS(=O)(=O)c1ccc(S(N)(=O)=O)s1 ZINC000013825357 FB Annotated Anodyne O=S(=O)(O)C[C@@H]1CC[C@@H](CS(=O)(=O)O)[C@H](CS(=O)(=O)O)C1 ZINC000013833369 FB Annotated Anodyne O=S(=O)(O)C[C@H]1CC[C@@H](CS(=O)(=O)O)[C@H](CS(=O)(=O)O)C1 ZINC000013833370 FB Annotated Anodyne CC(=O)OC[C@]1(C)[C@@](C)(O)[C@H]2C[C@]3([C@H](C)CC(=O)[C@@]31O)[C@@H](O)C(=O)O2 ZINC000013837188 FB Annotated Anodyne N=C(N/N=C/c1cccc(C(=N)N)n1)N/N=C/c1cccc(C(=N)N)n1 ZINC000013861139 FB Annotated Mild CCN(C(=O)N1C[C@@H](C(=O)O)[C@@H](N)[C@@H]1CNS(C)(=O)=O)C(C)C ZINC000013862550 FB Annotated Anodyne N#Cc1ccc(/C=[N+](/C=c2ccc(=C=N)cc2)N(CCO)C2=NCCN2)cc1 ZINC000136261182 FB Annotated Mild NC(N)=NCCCNC(=O)[C@@H]1CCC(=O)N2C[C@@H](CCC(=O)O)[C@H]2C1 ZINC000137630836 FB Annotated Mild CC1=CC(=O)[C@]2(O)[C@@]3(C)[C@H]4C(=O)[C@]2(O)[C@]2(C)[C@H]5CC(=O)O[C@@H](C[C@]132)[C@@]45CO ZINC000139045215 FB Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@@]13C ZINC000139053517 FB Annotated Mild C[S@@](=O)CC[C@@H](/N=C/C=C1/C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000139150195 FB Annotated Mild C=C[C@@](C)(CC/C=C(\CO)C(=O)OC)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O ZINC000139479544 FB Annotated Mild COc1cccc2c1c(CC(N)=O)cn2[C@H]1O[C@H](C(N)=O)C[C@H](O)[C@@H]1O ZINC000139742073 FB Annotated Anodyne COc1cc2c(cc1O)C(=O)O[C@@H]1[C@@H](OC)[C@@H]3O[C@@]34CCN(C)[C@H]4[C@]21O ZINC000014454850 FB Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](O[C@@H](C#N)c2cccc(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014455417 FB Annotated Mild in-man CC(=O)OC[C@H]1O[C@@H](O[C@@H](C#N)c2cccc(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014455418 FB Annotated Mild in-man CC(=O)OC[C@@H]1O[C@H](O[C@@H](C#N)c2cccc(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014455419 FB Annotated Mild in-man CC(=O)OC[C@H]1O[C@H](O[C@@H](C#N)c2cccc(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014455420 FB Annotated Mild in-man COC(=O)C[C@@H](C)OC(=O)/C=C/[C@@H](O)[C@H](C)OC(=O)/C=C/[C@@H](O)[C@H](C)O ZINC000140275970 FB Annotated Anodyne CCOC(=O)[C@@H](C(=O)O)[n+]1ccc(C(=O)NN/C=C2\C=CC=CC2=O)cc1 ZINC000141684971 FB Annotated Reactive CCOC(=O)[C@H](C(=O)O)[n+]1ccc(C(=O)NN/C=C2\C=CC=CC2=O)cc1 ZINC000141685165 FB Annotated Reactive C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@@]13C ZINC000141810032 FB Annotated Mild C[C@]1(O)C[C@@]2(O)C=CC3=C(C(=O)c4cccc(O)c4C3=O)[C@@]2(O)C(=O)[C@@H]1O ZINC000014689392 FB Annotated Mild C[C@@]1(O)C[C@]2(O)C=CC3=C(C(=O)c4cccc(O)c4C3=O)[C@@]2(O)C(=O)[C@@H]1O ZINC000014689394 FB Annotated Mild N=C(N)NC[C@H]1C[C@@H](CNC(=N)N)[C@H](O)C[C@@H]1c1ccc2nc(N)[nH]c2c1 ZINC000014946108 FB Annotated Anodyne C[C@H]1CN(Cc2nnnn2CC(=O)NCCCn2cccn2)C[C@@H](C)O1 ZINC000014958953 FB Annotated Anodyne CN(C[C@@H]1COCCO1)C(=O)Cn1nnnc1CN1CCCCCC1 ZINC000014973727 FB Annotated Anodyne CN(C[C@H]1COCCO1)C(=O)Cn1nnnc1CN1CCCCCC1 ZINC000014973732 FB Annotated Anodyne CO[C@@H](C(=O)N1CCCC[C@H](N)C1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)C ZINC000146985085 FB Annotated Anodyne Nc1nc2c(ncn2CCCC[P@](=O)(O)CP(=O)(O)O)c(=O)[nH]1 ZINC000001533469 FB Annotated Anodyne CS(=O)(=O)N(CCCl)N(C(=O)NCCCl)S(C)(=O)=O ZINC000001544547 FB Annotated Reactive CCS(=O)(=O)ON1C(=O)c2ccc(NC(=O)C(=O)OC)cc2C1=O ZINC000001547205 FB Annotated Mild C[C@@]1(O)C[C@@]2(O)C=CC3=C(C(=O)c4cccc(O)c4C3=O)[C@@]2(O)C(=O)[C@@H]1O ZINC000001587029 FB Annotated Mild COc1nc(SC)nc2c1cnn2[C@H]1O[C@H]([C@@H](O)CO)[C@@H](OC)[C@@H]1O ZINC000001616068 FB Annotated Anodyne O=C1O[C@@H]2[C@@H](O)CO[C@]2(O)[C@]1(O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000001634752 FB Annotated Bother O=c1c2nn3c(=O)n(-c4ccccc4)c(=O)c3nn2c(=O)n1-c1ccccc1 ZINC000001643089 FB Annotated Anodyne CCOC(=O)[C@@H](SCCO)[C@H](C(=O)OCC)n1ccc(=O)[nH]c1=O ZINC000001647369 FB Annotated Anodyne CCOC(=O)[C@@H](SCCO)[C@@H](C(=O)OCC)n1ccc(=O)[nH]c1=O ZINC000001647370 FB Annotated Anodyne CCOC(=O)[C@@H]([C@@H](SCCO)C(=O)OCC)n1ccc(=O)[nH]c1=O ZINC000001647371 FB Annotated Anodyne CCOC(=O)[C@H](SCCO)[C@@H](C(=O)OCC)n1ccc(=O)[nH]c1=O ZINC000001647372 FB Annotated Anodyne CCOC(=O)[C@@H](SCCO)[C@H](C(=O)OCC)n1cc(C)c(=O)[nH]c1=O ZINC000001647373 FB Annotated Anodyne CCOC(=O)[C@@H](SCCO)[C@@H](C(=O)OCC)n1cc(C)c(=O)[nH]c1=O ZINC000001647374 FB Annotated Anodyne CCOC(=O)[C@@H]([C@@H](SCCO)C(=O)OCC)n1cc(C)c(=O)[nH]c1=O ZINC000001647375 FB Annotated Anodyne CCOC(=O)[C@H](SCCO)[C@@H](C(=O)OCC)n1cc(C)c(=O)[nH]c1=O ZINC000001647376 FB Annotated Anodyne CCOC(=O)[C@@H](SCCO)[C@H](C(=O)OCC)n1ccc(N)nc1=O ZINC000001647381 FB Annotated Anodyne CCOC(=O)[C@@H]([C@@H](SCCO)C(=O)OCC)n1ccc(N)nc1=O ZINC000001647383 FB Annotated Anodyne COc1ccc(/C=C2\N=C3NC(=O)C(N4CCOCC4)=C(N)N3C2=O)cc1 ZINC000001649831 FB Annotated Anodyne CSc1ncnc2c1cnn2Cc1cn(COC[C@H](O)CO)nn1 ZINC000001656911 FB Annotated Anodyne CSc1ncnc2c1cnn2Cc1cnnn1COC[C@H](O)CO ZINC000001656912 FB Annotated Anodyne CC(=O)O[C@H]1CO[C@H](n2nc(N)nc2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000001656951 FB Annotated Anodyne CC(C)[C@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](O)([C@H](C)O)[C@@H]1O)[C@H]23 ZINC000001748971 FB Annotated Anodyne CO[C@H](/C=C1\NC(N)=NC1=O)CNC(=O)c1cc(Br)c[nH]1 ZINC000015122199 FB Annotated Anodyne C=C1C[C@@]23C[C@@H](O)[C@@]4(O)[C@H]([C@@H](O)[C@@H](O)C4(C)C)[C@@](C)(O)[C@H]2CC[C@@H]1[C@H]3O ZINC000015263729 FB Annotated Mild CCOC(=O)c1ccc(NS(=O)(=O)c2c(N)[nH]c(=O)[nH]c2=O)cc1 ZINC000015952731 FB Annotated Anodyne CS(=O)(=O)N1CCN(c2n[n+]([O-])c3cc4c(cc3[n+]2[O-])CCC4)CC1 ZINC000169295131 FB Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC1[C@@H](C)CCC[C@@H]1C ZINC000169296941 FB Annotated Anodyne C[C@H](NC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)c1ccnn1C ZINC000169306734 FB Annotated Anodyne CO[C@H]1O[C@H](COC2=CC(=O)c3c(O)cccc3C2=O)[C@@H](O)[C@H](O)[C@H]1O ZINC000169310503 FB Annotated Mild CO[C@H]1O[C@H](COC2=CC(=O)c3cccc(O)c3C2=O)[C@@H](O)[C@H](O)[C@H]1O ZINC000169310505 FB Annotated Mild C#CCOC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000169310990 FB Annotated Mild C#CCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@@H]3CN21 ZINC000169310992 FB Annotated Mild N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](CC(=O)c1ccncc1)C(=O)c1ccncc1 ZINC000169311202 FB Annotated Mild Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](C(=O)O)O2)cc1I ZINC000169317486 FB Annotated Anodyne OCc1cnc(/C=N/N=C/c2ncc(CO)c(CO)c2O)c(O)c1CO ZINC000169317765 FB Annotated Mild CCCCS(=O)(=O)[C@@H](CCOS(C)(=O)=O)COS(C)(=O)=O ZINC000169319069 FB Annotated Mild CCCCS(=O)(=O)[C@H](CCOS(C)(=O)=O)COS(C)(=O)=O ZINC000169319070 FB Annotated Mild C[C@@]1(O)C[C@H](N2C=C(Br)C3=C(N)N=NC(=O)[C@@H]32)O[C@@H]1CO ZINC000169325080 FB Annotated Anodyne C[C@@]1(O)C[C@H](N2C=C(Br)C3=C(N)N=NC(=O)[C@H]32)O[C@@H]1CO ZINC000169325083 FB Annotated Anodyne O=C(O)[C@]1(O)C=C(c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H](O)[C@H](O)C1 ZINC000169329864 FB Annotated Bother CCN(C(=O)N1C[C@H](N)[C@H](C(=O)O)[C@@H]1CNS(C)(=O)=O)C(C)C ZINC000169330362 FB Annotated Anodyne O[C@@H](C1=N[C@@H]2C=CC=CC2=N1)[C@H](O)[C@H](O)[C@@H](O)C1=N[C@@H]2C=CC=CC2=N1 ZINC000169333367 FB Annotated Anodyne O[C@@H](C1=N[C@@H]2C=CC=CC2=N1)[C@H](O)[C@H](O)[C@@H](O)C1=N[C@H]2C=CC=CC2=N1 ZINC000169333370 FB Annotated Anodyne O[C@@H](C1=N[C@@H]2C=CC=CC2=N1)[C@H](O)[C@H](O)[C@H](O)C1=N[C@H]2C=CC=CC2=N1 ZINC000169333374 FB Annotated Anodyne O=C1[C@@H]2C[C@@H]3O[C@]2([C@@H](O)[C@@H]3O)[C@@H](P(=O)(O)O)N1Cc1ccccc1 ZINC000169336147 FB Annotated Anodyne O=C1[C@@H]2C[C@@H]3O[C@]2([C@H](O)[C@@H]3O)[C@@H](P(=O)(O)O)N1Cc1ccccc1 ZINC000169336149 FB Annotated Anodyne O=C1[C@@H]2C[C@@H]3O[C@]2([C@@H](O)[C@H]3O)[C@@H](P(=O)(O)O)N1Cc1ccccc1 ZINC000169336151 FB Annotated Anodyne O=C1[C@@H]2C[C@@H]3O[C@]2([C@H](O)[C@H]3O)[C@@H](P(=O)(O)O)N1Cc1ccccc1 ZINC000169336153 FB Annotated Anodyne Cc1cc(C)n(-c2ccc(S(=O)(=O)NC(=O)NNC(=N)N)cc2)n1 ZINC000169336392 FB Annotated Reactive O=C(/C=N/O)Nc1ccc[n+](CC[n+]2cccc(NC(=O)/C=N/O)c2)c1 ZINC000169348197 FB Annotated Mild C=C(C)C#C[C@]1(O)[C@@H](O)[C@@H]2OC(C)(C)[C@H](OC(C)=O)C[C@@]23O[C@H]3[C@@H]1O ZINC000169351059 FB Annotated Mild C=C(C)C#C[C@]12O[C@H]1[C@@H]1OC(C)(C)[C@H](OC(C)=O)C[C@@]1(O)[C@@H](O)[C@@H]2O ZINC000169351065 FB Annotated Mild CCOC(=O)N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3CC[C@@H]12 ZINC000169355030 FB Annotated Reactive CCOC(=O)N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3CC[C@@H]12 ZINC000169355031 FB Annotated Reactive CC1(C)O[C@@H]2O[C@@H]([C@@H](O)CON3C(=O)c4ccccc4C3=O)[C@@H](O)[C@@H]2O1 ZINC000169355200 FB Annotated Anodyne CC1(C)O[C@@H]2[C@H](O[C@@H]([C@@H](O)CON3C(=O)c4ccccc4C3=O)[C@H]2O)O1 ZINC000169355201 FB Annotated Anodyne CC1(C)O[C@@H]2O[C@H]([C@@H](O)CON3C(=O)c4ccccc4C3=O)[C@@H](O)[C@@H]2O1 ZINC000169355202 FB Annotated Anodyne CC1(C)O[C@@H]2[C@H](O[C@H]([C@@H](O)CON3C(=O)c4ccccc4C3=O)[C@H]2O)O1 ZINC000169355203 FB Annotated Anodyne CCOC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000169359642 FB Annotated Mild COC[C@@H]1O[C@H](O)[C@@H](NC(=O)N(CCCl)N=O)[C@@H](OC)[C@@H]1OC ZINC000169364913 FB Annotated Reactive COC[C@H]1O[C@H](O)[C@@H](NC(=O)N(CCCl)N=O)[C@@H](OC)[C@@H]1OC ZINC000169364914 FB Annotated Reactive C[C@@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000169420762 FB Annotated Anodyne C[C@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000169420769 FB Annotated Anodyne CC(=O)OC[C@H](CO[P@@](=O)(O)OCCNCC(=O)O)OC(C)=O ZINC000169627027 FB Annotated Anodyne C[C@H]1C(=O)O[C@]2(C)[C@@H]1C(=O)O[C@@H]1CCN3CC=C(COC(=O)[C@]2(C)O)[C@H]13 ZINC000169642780 FB Annotated Anodyne C[C@@H]1[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@@]1(O)CO)[C@@H]23 ZINC000169644734 FB Annotated Anodyne C[C@@H](O)[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 ZINC000169646218 FB Annotated Anodyne CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@]3(O)[C@H](C)C(=O)O[C@@H]3C)[C@H]12 ZINC000169669679 FB Annotated Anodyne CN1CCN(CC2=c3oc(=O)/c(=C4\C=CCC=N4)cc3C=CC2=O)CC1 ZINC000169689124 FB Annotated Mild O=c1n(CCN2CCN(CCO)CC2)c(O)c2n1Cc1ccccc1C2 ZINC000169718913 FB Annotated Anodyne COc1cc(C(=O)[PH](O)(O)CC[C@H](N)C(=O)O)cc([N+](=O)[O-])c1O ZINC000169730594 FB Annotated Bother COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@H]1C(COC(C)=O)=C2COC(C)=O ZINC000017022507 FB Annotated Anodyne CCOC(=O)C1=NN2[C@@H](O)[C@@]3(C)CC(C(=O)OCC)=NN3[C@@H](O)[C@@]2(C)C1 ZINC000017064447 FB Annotated Anodyne CCOC(=O)C1=NN2[C@H](O)[C@@]3(C)CC(C(=O)OCC)=NN3[C@@H](O)[C@@]2(C)C1 ZINC000017064449 FB Annotated Anodyne COc1nc(SC)nc2c1cnn2[C@H]1O[C@H]([C@@H](O)CO)[C@H](OC)[C@H]1O ZINC000017187322 FB Annotated Anodyne COc1nc(SC)nc2c1cnn2[C@H]1O[C@H]([C@@H](O)CO)[C@@H](OC)[C@H]1O ZINC000017187325 FB Annotated Anodyne COc1nc(SC)nc2c1cnn2[C@H]1O[C@H]([C@@H](O)CO)[C@H](OC)[C@@H]1O ZINC000017187328 FB Annotated Anodyne O=C1O[C@@H]2[C@H](O)CO[C@]2(O)[C@]1(O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000017220372 FB Annotated Bother O=C1O[C@@H]2[C@H](O)CO[C@@]2(O)[C@]1(O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000017220375 FB Annotated Bother O=C1O[C@@H]2[C@@H](O)CO[C@@]2(O)[C@]1(O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000017220378 FB Annotated Bother CCOC(=O)[C@@H](SCCO)[C@@H](C(=O)OCC)n1ccc(N)nc1=O ZINC000017261283 FB Annotated Anodyne CCOC(=O)[C@H](SCCO)[C@@H](C(=O)OCC)n1ccc(N)nc1=O ZINC000017261287 FB Annotated Anodyne O=C(N[C@H](CO)C(=O)N1CCC[C@H]1B(O)O)c1ccnc2ccccc12 ZINC000170184733 FB Annotated Reactive CCOC(=O)N/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3CC[C@@H]12 ZINC000018155221 FB Annotated Reactive CCCC12CN3CC(CCC)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)CO)C2=O ZINC000019331694 FB Annotated Anodyne CCCC12CN3CC(CCC)(CN(C1)C3[C@@H](O)[C@H](O)[C@@H](O)CO)C2=O ZINC000019331699 FB Annotated Anodyne CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@@H]4C)C3=O)N1C[C@H]1N[C@H]12 ZINC000194981187 FB Annotated Mild C#CCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@H]3CN21 ZINC000195036705 FB Annotated Mild C#CCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21 ZINC000195036719 FB Annotated Mild O[C@@H](C1=N[C@@H]2C=CC=CC2=N1)[C@H](O)[C@@H](O)[C@@H](O)C1=N[C@@H]2C=CC=CC2=N1 ZINC000195384375 FB Annotated Anodyne O[C@@H](C1=N[C@@H]2C=CC=CC2=N1)[C@@H](O)[C@H](O)[C@@H](O)C1=N[C@@H]2C=CC=CC2=N1 ZINC000195384380 FB Annotated Anodyne N[C@@H]1[C@H]2[C@@H]3C[C@@H]4N(CC[C@@]41C(=O)C(=O)O)CC3=CCO[C@@H]2CC(=O)O ZINC000195418071 FB Annotated Anodyne N[C@H]1[C@H]2[C@@H]3C[C@@H]4N(CC[C@]14C(=O)C(=O)O)CC3=CCO[C@@H]2CC(=O)O ZINC000195418080 FB Annotated Anodyne N[C@H]1[C@@H]2[C@@H]3C[C@@H]4N(CC[C@]14C(=O)C(=O)O)CC3=CCO[C@@H]2CC(=O)O ZINC000195418090 FB Annotated Anodyne CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(CC)C(=O)[C@@H]12 ZINC000195457015 FB Annotated Reactive CCOC(=O)N/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(CC)C(=O)[C@@H]12 ZINC000195457023 FB Annotated Reactive CCOC(=O)N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(CC)C(=O)[C@@H]12 ZINC000195457030 FB Annotated Reactive CCOC(=O)N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(CC)C(=O)[C@@H]12 ZINC000195457032 FB Annotated Reactive COC(=O)/C=C\[C@@H]1[C@@H](C(=O)OC)[C@@]2(C(=O)OC)CC[C@@]1(C(=O)OC)N2 ZINC000195478705 FB Annotated Anodyne COC(=O)/C=C\[C@H]1[C@@H](C(=O)OC)[C@@]2(C(=O)OC)CC[C@@]1(C(=O)OC)N2 ZINC000195478708 FB Annotated Anodyne COC(=O)/C=C\[C@@H]1[C@H](C(=O)OC)[C@@]2(C(=O)OC)CC[C@@]1(C(=O)OC)N2 ZINC000195478711 FB Annotated Anodyne COC(=O)/C=C/[C@@H]1[C@@H](C(=O)OC)[C@@]2(C(=O)OC)CC[C@@]1(C(=O)OC)N2 ZINC000195499817 FB Annotated Anodyne COC(=O)/C=C/[C@H]1[C@@H](C(=O)OC)[C@@]2(C(=O)OC)CC[C@@]1(C(=O)OC)N2 ZINC000195499820 FB Annotated Anodyne COC(=O)/C=C/[C@@H]1[C@H](C(=O)OC)[C@@]2(C(=O)OC)CC[C@@]1(C(=O)OC)N2 ZINC000195499822 FB Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H](OC[C@H]3O[C@H]2[C@H](O)[C@H]3O)[C@@H]1OCC1CCCCC1 ZINC000195509177 FB Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H](OC[C@H]3O[C@H]2[C@H](O)[C@@H]3O)[C@@H]1OCC1CCCCC1 ZINC000195509180 FB Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H](OC[C@H]3O[C@H]2[C@@H](O)[C@H]3O)[C@@H]1OCC1CCCCC1 ZINC000195509182 FB Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H](OC[C@H]3O[C@H]2[C@@H](O)[C@@H]3O)[C@@H]1OCC1CCCCC1 ZINC000195509185 FB Annotated Anodyne CC1=C[C@@H](O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@H]23 ZINC000197875550 FB Annotated Anodyne CC(C)NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1CC(F)(F)F ZINC000199237920 FB Annotated Anodyne CC(C)NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1CC(F)(F)F ZINC000199237937 FB Annotated Anodyne CC(=O)OC[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)CN1C(C)=O ZINC000199285481 FB Annotated Anodyne CCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21 ZINC000002002224 FB Annotated Mild COc1cc(CC(=O)O)c([C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)c(OC)c1OC ZINC000002005427 FB Annotated Anodyne Cc1ncc(COP(=O)(O)O)c(CN[C@H](C(=O)O)[C@H](C)O)c1O ZINC000002047762 FB Annotated Anodyne in-vitro CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC000002498923 FB Annotated Anodyne Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)NCCN1CCOCC1 ZINC000020178062 FB Annotated Anodyne O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)NCCN1CCOCC1 ZINC000020556929 FB Annotated Anodyne Cc1cc(C)n(C2CN(C(=O)Cn3ncc(N4CCNCC4)cc3=O)C2)n1 ZINC000020600068 FB Annotated Anodyne O=S(=O)(NCB(O)O)c1ccc(-c2nn[nH]n2)cc1C(F)(F)F ZINC000205326991 FB Annotated Reactive in-vitro CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CN1CCN[C@H](C)C1)CC2 ZINC000205471075 FB Annotated Anodyne O=Cc1c2c(cn1CCCC(=O)O)[C@H]1O[C@@](CO)(C2)O[C@@H]1[C@H](O)CO ZINC000205473948 FB Annotated Anodyne COc1ccc(CCc2cc(=O)c3c(o2)[C@H](O)[C@@H](O)[C@@H](O)[C@H]3O)cc1O ZINC000205669235 FB Annotated Anodyne COc1ccc(CCc2cc(=O)c3c(o2)[C@H](O)[C@@H](O)[C@H](O)[C@H]3O)cc1O ZINC000205669289 FB Annotated Anodyne COc1ccc(CCc2cc(=O)c3c(o2)[C@@H](O)[C@H](O)[C@H](O)[C@H]3O)cc1O ZINC000205669308 FB Annotated Anodyne C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(N)=O ZINC000205800164 FB Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(N)=O ZINC000205800177 FB Annotated Mild CN1CC[C@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)C1=O ZINC000205815307 FB Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)C1=O ZINC000205815322 FB Annotated Mild CC1(C)OB(c2cnc(N)c(S(=O)(=O)n3ccc(N)n3)c2)OC1(C)C ZINC000206172762 FB Annotated Mild CC1(C)OB(c2cnc(N)c(S(=O)(=O)N3CCNCC3)c2)OC1(C)C ZINC000206172802 FB Annotated Mild COCCS(=O)(=O)NCC#Cc1cn([C@@H]2CCCS2)c(=O)nc1N ZINC000206996370 FB Annotated Mild COCCS(=O)(=O)NCC#Cc1cn([C@H]2CCCS2)c(=O)nc1N ZINC000206996415 FB Annotated Mild CCOC(=O)[C@@H](C(=O)O)[n+]1ccc(C(=O)NN/C=C2/C=CC=CC2=O)cc1 ZINC000207814299 FB Annotated Reactive CCOC(=O)[C@H](C(=O)O)[n+]1ccc(C(=O)NN/C=C2/C=CC=CC2=O)cc1 ZINC000207814342 FB Annotated Reactive CC1(C)OB(c2cnc(N)c(S(=O)(=O)N3CCOCC3)c2)OC1(C)C ZINC000208202574 FB Annotated Mild CN[C@@H](Cc1c[nH]c2c1C(=O)C1=C(NC=CS1(=O)=O)C2=O)C(=O)O ZINC000210999134 FB Annotated Mild CN[C@@H](Cc1c[nH]c2c1C(=O)C1=C(C2=O)S(=O)(=O)C=CN1)C(=O)O ZINC000210999182 FB Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2CCO3)C1=O ZINC000219478143 FB Annotated Mild CN1CC[C@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2CCO3)C1=O ZINC000219483857 FB Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#C[C@]3(O)CCNC3=O)c(F)cc1OCC2 ZINC000219616957 FB Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#C[C@@]3(O)CCNC3=O)c(F)cc1OCC2 ZINC000219617038 FB Annotated Mild CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O ZINC000219690714 FB Annotated Anodyne O=C(O)CN1CCN2CCCCCN(CC1)CCN(CC(=O)O)CC2 ZINC000022039917 FB Annotated Anodyne O=C(O[C@@H]1CCNC[C@@H]1F)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000220091369 FB Annotated Mild O=C(CCCNC(=O)Cn1cnc2c(N3CCOCC3)ncnc21)NO ZINC000221247994 FB Annotated Bother CN1CCN(CC2=c3oc(=O)/c(=C4\C=CC=CN4)cc3C=CC2=O)CC1 ZINC000022919848 FB Annotated Mild Cc1ncncc1C(=O)NCC[C@@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000023379853 FB Annotated Anodyne Cc1ncncc1C(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 ZINC000023379855 FB Annotated Anodyne C=C1C[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 ZINC000230096363 FB Annotated Mild in-man C=C1C[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 ZINC000230096368 FB Annotated Mild in-man C=C1C[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 ZINC000230096374 FB Annotated Mild in-man C=C1C[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 ZINC000230096380 FB Annotated Mild in-man CCCCS(=O)(=O)N1CN(S(=O)(=O)CCCC)[C@@H]2NC(=O)N[C@H]21 ZINC000230136454 FB Annotated Anodyne O=c1[nH]c2nccn2c2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O ZINC000230541462 FB Annotated Anodyne in-vitro CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@H](C)O)C(C)(C)O)[C@H]12 ZINC000231166587 FB Annotated Anodyne CN(C)CCN1C[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)CC1=O ZINC000023505930 FB Annotated Anodyne CN(C)CCN1C[C@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)CC1=O ZINC000023505933 FB Annotated Anodyne C=C(C)[C@H](/C=C/C(C)(C)O)CO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238731270 FB Annotated Mild CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](O)([C@H](C)O)[C@H]1O)[C@@H]23 ZINC000238731798 FB Annotated Anodyne C[C@@H]1O[C@@H](Oc2cc3c(O)c(O)c(O)c(O)c3cc2O)[C@H](O)[C@H](O)[C@H]1O ZINC000238732001 FB Annotated Clean C=C1[C@@H]2C[C@@H](O)[C@@H]3[C@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000238733118 FB Annotated Mild COc1cc([C@@H]([C@@H](CO)S(=O)(=O)O)S(=O)(=O)O)cc(OC)c1O ZINC000238733224 FB Annotated Anodyne CO[C@H]1CO[C@H](OC)[C@@H](OC)[C@H]1O[C@H]1OC[C@@H](OC)[C@@H](OC)[C@H]1OC ZINC000238733496 FB Annotated Anodyne CC1=CC(=O)[C@H](O)[C@@]2(C)[C@@H]3[C@H](O)[C@H]4OC(=O)[C@H]([C@@H]4C)[C@@]3(C)C(=O)C[C@]12O ZINC000238733979 FB Annotated Mild COc1cc(/C=C/C(=O)OC[C@H](O)[C@@H]2OC(=O)[C@H](O)[C@@H]2OC)ccc1O ZINC000238734260 FB Annotated Anodyne CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@H]23 ZINC000238734847 FB Annotated Anodyne CC(=O)OC[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)CN1C(C)=O ZINC000238738889 FB Annotated Anodyne CO[C@H]1OC[C@H](O[C@H]2OC[C@@H](OC)[C@@H](OC)[C@H]2OC)[C@H](OC)[C@@H]1OC ZINC000238739441 FB Annotated Anodyne CC(=O)O[C@H]1[C@H]2OC(=O)[C@]1(O)CC[C@@H]1O[C@@]3(C=C1C)OC(=O)[C@@H](C)[C@]23O ZINC000238740371 FB Annotated Anodyne CO[C@H]1CO[C@H](OC)[C@@H](O[C@H]2OC[C@@H](OC)[C@@H](OC)[C@H]2OC)[C@H]1OC ZINC000238740546 FB Annotated Anodyne CC(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)[C@H]3O[C@H]3[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238743851 FB Annotated Anodyne C[C@@H]1O[C@@]12C[C@@H](C)[C@@](C)(O)C(=O)OCC1=CCNCC[C@@H](OC2=O)C1=O ZINC000238744875 FB Annotated Mild C=C(CO)C(=O)O[C@@H]1CC(=C)[C@@H]2C[C@H](O)[C@H](O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238746795 FB Annotated Mild C[C@@H]1CC(=O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@H]23 ZINC000238747245 FB Annotated Anodyne COCN[C@@H]1[CH][CH]N[C@@H]2[C@H]1C(=O)[C@H]1N[CH][CH][C@H]3[C@H]4[CH][CH][CH][CH][C@@H]4N[C@@H]2[C@H]13 ZINC000238747545 FB Annotated Anodyne CO[C@H]1[CH][CH][C@H]2[C@@H]3O[C@H]4[C@H]([CH][CH][C@@H](OC)[C@H]4OC)C(=O)[C@@H]3OC[C@H]2[C@H]1O ZINC000238752358 FB Annotated Anodyne COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)[C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O ZINC000238754490 FB Annotated Mild COC(=O)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O ZINC000238754728 FB Annotated Anodyne C[C@H](Cl)C(Cl)(Cl)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238754798 FB Annotated Reactive CO[C@H]1[CH][C@H](O)[C@H]2C(=O)[C@H]3OC[C@@H]4[CH][C@H](OC)[C@@H](OC)[CH][C@@H]4[C@H]3O[C@H]2[CH]1 ZINC000238754853 FB Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]1(O)[C@@H]2[C@@](C)(O)[C@H](OC(C)=O)[C@H]1O ZINC000238754914 FB Annotated Mild CCC(=O)O[C@H]1C[C@@](C)(O)[C@@]23O[C@@H]2[C@H](O)[C@@](C)(O)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238755086 FB Annotated Anodyne CO[C@H]1CC[C@@](C)(O)C(C(=O)[C@@]2(C)NC(=O)CC[C@@H](N)C(=O)O2)=C1O ZINC000238755215 FB Annotated Mild CC1=C[C@@H]2[C@](O)(CC(CO)=C[C@H]3[C@@H]4[C@@](C)(CO)[C@]4(O)C[C@@H](C)[C@@]32O)[C@@H]1O ZINC000238755284 FB Annotated Anodyne Cn1c(=O)c2nc3c([S@@](C)=O)c(C(=O)O)sc3nc2n(C)c1=O ZINC000238755598 FB Annotated Anodyne O=C(/C=C/c1cccc(O)c1O)O[C@@H]1[C@H](O)C[C@@](O)(C(=O)O)C[C@H]1O ZINC000238756308 FB Annotated Clean C=C1[C@@H]2[C@H](O)C[C@@H]3[C@@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000238758003 FB Annotated Mild CC[C@H]1C(=O)O[C@H]2CCNCC=C(COC(=O)[C@@](C)(O)[C@H](C)[C@@H]1O)C2=O ZINC000238760121 FB Annotated Mild CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](O)([C@H](C)O)[C@H]1O)[C@H]23 ZINC000238760343 FB Annotated Anodyne CN1[C@H]([C@@H]2S[S@@](=O)C[C@@H]2O)CC[C@@H]1[C@@H]1S[S@](=O)C[C@@H]1O ZINC000238762098 FB Annotated Reactive CC(C)[C@H]1C(=O)O[C@@H]2CCN3C[C@H](O)[C@@H](COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000238762275 FB Annotated Anodyne C[S@](=O)CC[C@@H](/N=C/C=C1/C=C(C(=O)O)N[C@H](C(=O)O)C1)C(=O)O ZINC000238762979 FB Annotated Mild CCC[C@@H](OC(C)=O)C(=O)[C@H]1O[C@@H]1[C@H](O)[C@H](/C=C\C(=O)O)OC(C)=O ZINC000238763731 FB Annotated Anodyne C=C1[C@@H]2CC[C@@]3(O)[C@@H](C)C[C@]2(C[C@@H](O)[C@@]2(O)[C@H]1[C@H](O)[C@H](O)C2(C)C)[C@H]3O ZINC000238764845 FB Annotated Mild CCO[C@H]1[C@@H]2[C@@H](N[C@@H]3[CH][CH][CH][CH][C@H]23)[C@H]2N[C@H]3[CH][CH][CH][CH][C@@H]3C(=O)N2[C@@H]1O ZINC000238767231 FB Annotated Anodyne COc1cc([C@@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)C[C@H]3O[C@@H]2CO)ccc1O ZINC000238769193 FB Annotated Anodyne C[S@](=O)CCCCCC(=N)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238770677 FB Annotated Anodyne C[C@@H]1[C@@H]2OC(=O)[C@H]1[C@@]1(C)C(=O)C=C3[C@]4(C)O[C@@H]4C(=O)[C@H](O)[C@@]3(C)[C@@H]1[C@@H]2O ZINC000238770870 FB Annotated Mild C[C@H]1C[C@@](O)([C@H](C)O)C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 ZINC000238771383 FB Annotated Anodyne O=C(O)C1=C/C(=C/C=N/[C@H](C(=O)O)c2cc(O)no2)C[C@@H](C(=O)O)N1 ZINC000238772187 FB Annotated Mild C[C@H]1C(=O)O[C@@]2(C)[C@@H]1C(=O)O[C@@H]1CCN3CC=C(COC(=O)[C@@]2(C)O)[C@H]13 ZINC000238772469 FB Annotated Anodyne CCCCOC(=O)[C@H]1O[C@H](CO)[C@@H](O[C@H](O)c2ccc(CO)o2)[C@@H]1O ZINC000238772591 FB Annotated Anodyne CC1=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 ZINC000238772628 FB Annotated Mild C[C@@H]1[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@@]1(C)O)[C@@H]23 ZINC000238773155 FB Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@@H]23 ZINC000238773527 FB Annotated Mild O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1[C@@H](O)C=C4S[C@H](C[C@]43[C@@H]1O)N2 ZINC000238773543 FB Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@@H](O)CCC(C)(C)[C@H]1C(=O)[C@@]3(O)[C@@H]2O ZINC000238774040 FB Annotated Mild CC[C@@]1(C)C(=O)O[C@@H]2CCN3C(=O)[C@H](O)[C@@H](COC(=O)[C@@H](C)[C@]1(C)O)[C@H]23 ZINC000238774883 FB Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)OC[C@]1([C@@H](O)[C@H](C)O)C[C@@H](O)C(=O)O1 ZINC000238775379 FB Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@]2(C)[C@@H]3[C@@H](O)[C@@H]4OC(=O)[C@H]5[C@]4(C)OC[C@@]35[C@H](O)C[C@H]12 ZINC000238775515 FB Annotated Mild C=C(C)C#C[C@@]1(O)[C@H]2O[C@@]3(C)O[C@@H]1[C@@H]1OC(C)(C)[C@H](O)C[C@@]1(O3)[C@H]2O ZINC000238776086 FB Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)=O)C[C@@](OC(C)=O)(C(=O)O)C[C@H]1OC(C)=O ZINC000238776898 FB Annotated Anodyne CC1=C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H]([C@@H](O)[C@@H](O)C4(C)C)[C@](C)(O)[C@H]2CC[C@@H]1[C@@H]3O ZINC000238777786 FB Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@H](O)[C@@]2(O)[C@@H]1[C@H](O)[C@@H](O)C2(C)C)C[C@]3(C)O ZINC000238777814 FB Annotated Mild CO[C@@H]1[C@H](O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000238777857 FB Annotated Anodyne CC(C)[C@@H]1C(=O)O[C@@H]2CCN3C[C@H](O)[C@H](COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000238777979 FB Annotated Anodyne CC(C)[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](O)([C@@H](C)O)[C@@H]1O)[C@H]23 ZINC000238779517 FB Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)(CO)[C@H](C)O)[C@@H]12 ZINC000238781095 FB Annotated Anodyne C=C1[C@@H]2[C@H](O)C[C@@H]3[C@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000238781457 FB Annotated Mild CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)(CO)[C@H](C)O)[C@H]12 ZINC000238781865 FB Annotated Anodyne CC(=O)[C@H](O)C1=C2/C(=C\[C@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@H]2O)OC1=O ZINC000238783787 FB Annotated Anodyne COc1c(O)cc2c(c1O)[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1OC2=O ZINC000238785133 FB Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)[C@H](O)[C@@]1(CO)C[C@@H](O)C(=O)O1 ZINC000238785959 FB Annotated Anodyne CC1(C)[C@H]2C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1(C)C[C@H]2OC=O ZINC000238786697 FB Annotated Anodyne COc1cc(/C=C\C(=O)OC[C@H](O)[C@@H]2OC(=O)[C@H](O)[C@@H]2OC)ccc1O ZINC000238789447 FB Annotated Anodyne CC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3C[C@H](O)[C@H](C)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238789744 FB Annotated Anodyne O=C(COC(=O)[C@@H]1COc2ccccc2O1)N[C@@H]1CCS(=O)(=O)C1 ZINC000002629777 FB Annotated Anodyne O=C(COC(=O)[C@H]1COc2ccccc2O1)N[C@@H]1CCS(=O)(=O)C1 ZINC000002629778 FB Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CNC(=O)C[C@@]3(C)C[C@H](O)CN3)O2)c(O)nc1=O ZINC000253637143 FB Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CNC(=O)C[C@]3(C)C[C@@H](O)CN3)O2)c(O)nc1=O ZINC000253637144 FB Annotated Anodyne CC(C)CN(C(=O)N(CCCl)N=O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253644820 FB Annotated Reactive CC(C)CN(C(=O)N(CCCl)N=O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000253644825 FB Annotated Reactive CC(C)CN(C(=O)N(CCCl)N=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000253644828 FB Annotated Reactive COC[C@@H]1O[C@H](O)[C@H](NC(=O)N(CCCl)N=O)[C@H](OC)[C@@H]1OC ZINC000253697258 FB Annotated Reactive COC[C@@H]1O[C@H](O)[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC)[C@H]1OC ZINC000253697270 FB Annotated Reactive COC[C@@H]1O[C@H](O)[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC)[C@@H]1OC ZINC000253697277 FB Annotated Reactive COC[C@@H]1O[C@H](O)[C@H](NC(=O)N(CCCl)N=O)[C@H](OC)[C@H]1OC ZINC000253697287 FB Annotated Reactive Nc1nc(=O)n([C@@H]2C[C@@H](CO)C[C@H]2O)cc1I ZINC000253712093 FB Annotated Anodyne Nc1nc(=O)n([C@@H]2C[C@H](CO)C[C@H]2O)cc1I ZINC000253712096 FB Annotated Anodyne CO[C@@H]1O[C@H](CO)[C@H](Sc2nc(CN(C)C)ccc2O)[C@H](O)[C@@H]1O ZINC000253712415 FB Annotated Anodyne CO[C@@H]1O[C@H](CO)[C@H](Sc2nc(CN(C)C)ccc2O)[C@@H](O)[C@H]1O ZINC000253712421 FB Annotated Anodyne CO[C@@H]1O[C@H](CO)[C@H](Sc2nc(CN(C)C)ccc2O)[C@@H](O)[C@@H]1O ZINC000253712424 FB Annotated Anodyne CO[C@@H]1O[C@H](CO)[C@H](Sc2nc(CN(C)C)ccc2O)[C@H](O)[C@H]1O ZINC000253712428 FB Annotated Anodyne O[C@@H](C1=N[C@@H]2C=CC=CC2=N1)[C@@H](O)[C@@H](O)[C@H](O)C1=N[C@@H]2C=CC=CC2=N1 ZINC000253778861 FB Annotated Anodyne O[C@@H]([C@H](O)C1=N[C@@H]2C=CC=CC2=N1)[C@H](O)[C@H](O)C1=N[C@H]2C=CC=CC2=N1 ZINC000253778869 FB Annotated Anodyne O[C@@H](C1=N[C@H]2C=CC=CC2=N1)[C@@H](O)[C@@H](O)[C@H](O)C1=N[C@@H]2C=CC=CC2=N1 ZINC000253778874 FB Annotated Anodyne O=c1nc(O)c(I)cn1[C@@H]1C[C@@H](CO)C[C@H]1O ZINC000253810811 FB Annotated Anodyne CCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@H]3CN21 ZINC000253849864 FB Annotated Mild C(=NNC1=NCCCN1)c1ccc2nc(C=NNC3=NCCCN3)cn2c1 ZINC000253916608 FB Annotated Mild CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(CC)C(=O)[C@@H]12 ZINC000254044160 FB Annotated Reactive CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(CC)C(=O)[C@H]12 ZINC000254044167 FB Annotated Reactive CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(CC)C(=O)[C@@H]12 ZINC000254044175 FB Annotated Reactive CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(CC)C(=O)[C@H]12 ZINC000254044179 FB Annotated Reactive CC1(C)O[C@@H]2O[C@H]([C@H](O)CON3C(=O)c4ccccc4C3=O)[C@H](O)[C@@H]2O1 ZINC000254045672 FB Annotated Anodyne CC1(C)O[C@@H]2O[C@H]([C@H](O)CON3C(=O)c4ccccc4C3=O)[C@H](O)[C@H]2O1 ZINC000254045675 FB Annotated Anodyne CC1(C)O[C@@H]2O[C@H]([C@H](O)CON3C(=O)c4ccccc4C3=O)[C@@H](O)[C@@H]2O1 ZINC000254045679 FB Annotated Anodyne CC1(C)O[C@@H]2O[C@H]([C@H](O)CON3C(=O)c4ccccc4C3=O)[C@@H](O)[C@H]2O1 ZINC000254045681 FB Annotated Anodyne CCOC(=O)C1=NN2[C@H](O)[C@@]3(C)CC(C(=O)OCC)=NN3[C@H](O)[C@]2(C)C1 ZINC000254095613 FB Annotated Anodyne O=C1O[C@@H]2[C@H](O)CO[C@]2(O)[C@]1(O)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000254156521 FB Annotated Bother O=C1O[C@@H]2[C@H](O)CO[C@]2(O)[C@@]1(O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000254156523 FB Annotated Bother O=C1O[C@@H]2[C@H](O)CO[C@]2(O)[C@@]1(O)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000254156525 FB Annotated Bother COc1nc(SC)nc2c1cnn2[C@@H]1O[C@H]([C@H](O)CO)[C@@H](OC)[C@H]1O ZINC000254209914 FB Annotated Anodyne COc1nc(SC)nc2c1cnn2[C@@H]1O[C@H]([C@H](O)CO)[C@H](OC)[C@H]1O ZINC000254209915 FB Annotated Anodyne COc1nc(SC)nc2c1cnn2[C@@H]1O[C@H]([C@H](O)CO)[C@H](OC)[C@@H]1O ZINC000254209916 FB Annotated Anodyne COc1nc(SC)nc2c1cnn2[C@@H]1O[C@H]([C@H](O)CO)[C@@H](OC)[C@@H]1O ZINC000254209917 FB Annotated Anodyne Oc1ncnc2c([C@@H]3O[C@H](I)[C@@H](O)[C@H]3O)n[nH]c12 ZINC000025981409 FB Annotated Reactive C=C1C[C@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](O)[C@@H](O)[C@]57[C@@H]([C@H]2C[C@H]1[C@@H](O)[C@]37O)N4[C@@H]6O ZINC000255218992 FB Annotated Mild C[C@@H]1[C@@H]2OC(=O)[C@H]1[C@@]1(C)C(=O)C=C3[C@](C)([C@@H]1[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O[C@]31C ZINC000255220279 FB Annotated Mild CC1=CC(=O)[C@@H](O)[C@]2(C)[C@@H]3[C@@H](O)[C@H](O)[C@H](C)[C@@H]4C(=O)O[C@H]([C@H](O)[C@H]12)[C@@]43C ZINC000255222228 FB Annotated Mild C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]12 ZINC000255251613 FB Annotated Mild C[C@H](O)[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]34)[C@H]3O[C@]213 ZINC000255260770 FB Annotated Anodyne C[C@@H]1[C@@H]2C(=O)O[C@@H]3[C@H](O)[C@H]4[C@](C)(O)C=C[C@@H](O)[C@]4(C)[C@@H]([C@@H](O)[C@@H]1O)[C@@]32C ZINC000255280820 FB Annotated Anodyne C[C@H]1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000255284478 FB Annotated Anodyne C=C1C[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 ZINC000257402627 FB Annotated Mild C=C1C[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 ZINC000257402628 FB Annotated Mild C=C1C[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 ZINC000257402629 FB Annotated Mild C=C1C[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 ZINC000257402630 FB Annotated Mild C[C@H](O)[C@@]1(O)C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000257417106 FB Annotated Anodyne C[C@H](O)[C@@]1(O)C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000257417107 FB Annotated Anodyne CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@@H](C)O)C(C)(C)O)[C@H]12 ZINC000257444372 FB Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](O[C@@H](C#N)c2cccc(O)c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000257493044 FB Annotated Mild CC(=O)OC[C@@H]1O[C@@H](O[C@H](C#N)c2cccc(O)c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000257493045 FB Annotated Mild CC(=O)OC[C@@H]1O[C@H](O[C@H](C#N)c2cccc(O)c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000257493046 FB Annotated Mild CC(=O)OC[C@@H]1O[C@@H](O[C@@H](C#N)c2cccc(O)c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000257493047 FB Annotated Mild Nc1nc(N)c2nc(Br)n(CCOCP(=O)(O)O)c2n1 ZINC000026169542 FB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3cnccn3)S[C@H]12 ZINC000026270117 FB Annotated Anodyne O=C(O)[C@@H](O)CNC(=O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1 ZINC000026403135 FB Annotated Anodyne O=C(NC[C@@H](O)C(=O)O)[C@H]1CCCN(C(=O)CCC2CCNCC2)C1 ZINC000026403137 FB Annotated Anodyne N[C@@H]1[C@H]2[C@@H]3C[C@H]4N(CC[C@]14C(=O)C(=O)O)CC3=CCO[C@@H]2CC(=O)O ZINC000263607536 FB Annotated Anodyne N[C@@H]1[C@@H]2[C@H](CC(=O)O)OCC=C3CN4CC[C@@]1(C(=O)C(=O)O)[C@H]4C[C@H]32 ZINC000263607537 FB Annotated Anodyne CC(C)N(CC(=O)N[C@H](C=O)CCCN=C(N)N)C(=O)[C@H]1CCCCN1 ZINC000026569426 FB Annotated Mild CO[C@H]1C(=O)N2C(C(=O)OC(C)C)=C(COC(C)=O)CS(=O)(=O)[C@H]12 ZINC000026569569 FB Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)NC(C)(C)C)=C(COC(C)=O)CS(=O)(=O)[C@H]12 ZINC000026573197 FB Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@@H]1CNC(Nc2cccnc2)=NC1=O ZINC000026578603 FB Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@H]1CNC(Nc2cccnc2)=NC1=O ZINC000026578604 FB Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@@H]1CN=C(Nc2ncccn2)NC1=O ZINC000026578682 FB Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@H]1CN=C(Nc2ncccn2)NC1=O ZINC000026578683 FB Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@@H]1CNC(Nc2cnccn2)=NC1=O ZINC000026579370 FB Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@H]1CNC(Nc2cnccn2)=NC1=O ZINC000026579371 FB Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@@H]1CNC(Nc2ccccn2)=NC1=O ZINC000026579400 FB Annotated Anodyne CN(C(=O)C[C@@H](N)CCCCN)[C@H]1CNC(Nc2ccccn2)=NC1=O ZINC000026579401 FB Annotated Anodyne O=C(O)c1cc(O[C@H](C(=O)O)P(=O)(O)O)cc(OP(=O)(O)O)c1 ZINC000026579800 FB Annotated Anodyne O=C(O)c1cc(O[C@@H](C(=O)O)P(=O)(O)O)cc(OP(=O)(O)O)c1 ZINC000026579801 FB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C3[C@H](CCC[C@@H]3N(C)C(=O)NCCO)[C@H]12 ZINC000026665866 FB Annotated Anodyne COc1ccc(/C=C(\C)C(=O)N[C@@H]2[C@H](O)[C@@H](O)[C@H]3OCO[C@H]3[C@@H]2O)cc1 ZINC000026743595 FB Annotated Anodyne CCCC[C@@]1(NC(=O)[C@@H]2CCCN2)C[C@H]2SC[C@H](C(N)=O)N2C1=O ZINC000026751452 FB Annotated Anodyne CC(C)C[C@@]1(NC(=O)[C@@H]2CCCN2)C[C@H]2SC[C@H](C(N)=O)N2C1=O ZINC000026820283 FB Annotated Anodyne CC(=O)NC[C@@H]1CC(c2ccc(N3CCN(C(=O)CO)CC3)cc2)=NO1 ZINC000026820594 FB Annotated Anodyne CC(=O)NC[C@H]1CC(c2ccc(N3CCN(C(=O)CO)CC3)cc2)=NO1 ZINC000026820599 FB Annotated Anodyne O=S(=O)(O)C[C@H]1CC[C@@H](CS(=O)(=O)O)C[C@H]1CS(=O)(=O)O ZINC000026832318 FB Annotated Anodyne CC(=O)O[C@@H]1O[C@@H](n2ccc(N)c(F)c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000027093681 FB Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](n2ccc(N)c(F)c2=O)O[C@@H]1OC(C)=O ZINC000027093687 FB Annotated Anodyne CC(=O)O[C@@H]1O[C@H](n2ccc(N)c(F)c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000027093694 FB Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]1n1ccc(N)c(F)c1=O ZINC000027093698 FB Annotated Anodyne CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2[S@@](=O)C1 ZINC000027101219 FB Annotated Anodyne CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2[S@](=O)C1 ZINC000027101224 FB Annotated Anodyne CO[C@@H](C(=O)N[C@@H]1CCCCN(C)C1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)C ZINC000027197501 FB Annotated Anodyne CO[C@@H](C(=O)N[C@H]1CCCCN(C)C1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)C ZINC000027197506 FB Annotated Anodyne NC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@@H]2C(=O)N3S(=O)(=O)O)cc1 ZINC000027314990 FB Annotated Anodyne COC(=O)[C@@H]1CCCN1CC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2S1 ZINC000027423727 FB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3CCCC[C@@H]3C(N)=O)S[C@H]12 ZINC000027424047 FB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3CCCC[C@H]3C(N)=O)S[C@H]12 ZINC000027424052 FB Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3CCC(C(N)=O)CC3)S[C@H]12 ZINC000027426327 FB Annotated Anodyne COc1ccc(CCC(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)cc1O ZINC000027430407 FB Annotated Anodyne COc1ccc(CCC(=O)O[C@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)cc1O ZINC000027430412 FB Annotated Anodyne C(=N\NC1=NCCCN1)\c1cn2cc(/C=N/N=C3NCCCN3)ccc2n1 ZINC000027435852 FB Annotated Mild C(=N/N=C1NCCCN1)\c1ccc2nc(/C=N/NC3=NCCCN3)cn2c1 ZINC000027435860 FB Annotated Mild CC(C)CN(C(=O)N(CCCl)N=O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000027440084 FB Annotated Reactive CC(C)CN(C(=O)N(CCCl)N=O)[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000027440090 FB Annotated Reactive CC(C)CN(C(=O)N(CCCl)N=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000027440093 FB Annotated Reactive CC(C)CN(C(=O)N(CCCl)N=O)[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000027440099 FB Annotated Reactive CS(=O)(=O)C1=C(O)NC[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N12 ZINC000027525448 FB Annotated Anodyne O=C(O)CCN1CCn2nc(C(=O)NCCC3CCNCC3)cc2C1=O ZINC000027526688 FB Annotated Anodyne O=C(O)CNC(=O)c1cc2n(n1)CCN(CCCC1CCNCC1)C2=O ZINC000027548220 FB Annotated Anodyne O=C(O)CCCNC(=O)c1cc2n(n1)CCN(CC1CCNCC1)C2=O ZINC000027549056 FB Annotated Anodyne CCOC(=O)Cc1c(N)nc(N)nc1OCCOCP(=O)(O)O ZINC000027561120 FB Annotated Anodyne CC(C)C[C@@H](NC(=O)c1ncn2c(=O)n(CCCl)nnc12)C(=O)O ZINC000027629379 FB Annotated Reactive CO[C@H]1[C@H](OC)[C@@H](COCC(C)C)O[C@@H](OCC(=O)O)[C@@H]1OCCO ZINC000027647878 FB Annotated Anodyne CO[C@@H]1[C@H](OC)[C@@H](OCCO)[C@H](OCC(=O)O)O[C@@H]1COCC(C)C ZINC000027647882 FB Annotated Anodyne CO[C@H]1[C@H](OC)[C@H](COCC(C)C)O[C@@H](OCC(=O)O)[C@@H]1OCCO ZINC000027647887 FB Annotated Anodyne CO[C@H]1[C@H](COCC(C)C)O[C@@H](OCC(=O)O)[C@H](OCCO)[C@H]1OC ZINC000027647893 FB Annotated Anodyne CO[C@H]1[C@H](OC)[C@@H](COC(C)C)O[C@@H](OCC(=O)O)[C@@H]1OCCO ZINC000027649808 FB Annotated Anodyne CO[C@@H]1[C@H](OC)[C@@H](OCCO)[C@H](OCC(=O)O)O[C@@H]1COC(C)C ZINC000027649813 FB Annotated Anodyne CO[C@H]1[C@H](OC)[C@H](COC(C)C)O[C@@H](OCC(=O)O)[C@@H]1OCCO ZINC000027649817 FB Annotated Anodyne CO[C@H]1[C@H](COC(C)C)O[C@@H](OCC(=O)O)[C@H](OCCO)[C@H]1OC ZINC000027649822 FB Annotated Anodyne NC(=O)[C@@H]1CCS[C@@H]2C[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N12 ZINC000027710897 FB Annotated Anodyne CC(C)[C@@H](O)C(=O)NCCC(=O)NCCSCC[C@@H](O)CC(=O)O ZINC000027714735 FB Annotated Anodyne CC(C)[C@@H](O)C(=O)NCCC(=O)NCCSCC[C@H](O)CC(=O)O ZINC000027714742 FB Annotated Anodyne Nc1nc(=O)n([C@@H]2O[C@H](CO)C[C@H]2O)cc1I ZINC000027760741 FB Annotated Anodyne N#Cc1cc(NC(=O)c2nnn[nH]2)c(Cl)c(NC(=O)c2nnn[nH]2)c1 ZINC000027848950 FB Annotated Mild CO[C@@H]1O[C@@H](CO)[C@@H](Sc2nc(CN(C)C)ccc2O)[C@@H](O)[C@@H]1O ZINC000027863310 FB Annotated Anodyne CO[C@H]1O[C@@H](CO)[C@@H](Sc2nc(CN(C)C)ccc2O)[C@@H](O)[C@@H]1O ZINC000027863316 FB Annotated Anodyne CO[C@@H]1O[C@H](CO)[C@@H](Sc2nc(CN(C)C)ccc2O)[C@@H](O)[C@@H]1O ZINC000027863324 FB Annotated Anodyne CO[C@H]1O[C@H](CO)[C@@H](Sc2nc(CN(C)C)ccc2O)[C@@H](O)[C@@H]1O ZINC000027863331 FB Annotated Anodyne O=c1nc(O)c(/C=C(\F)Br)nn1[C@H]1C[C@@H](O)[C@@H](CO)O1 ZINC000027900544 FB Annotated Anodyne O=c1nc(O)c(/C=C(\F)Br)nn1[C@@H]1C[C@@H](O)[C@@H](CO)O1 ZINC000027900546 FB Annotated Anodyne C=C1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(I)c(N)nc1=O ZINC000027978377 FB Annotated Mild C=C1[C@@H](n2cc(I)c(N)nc2=O)O[C@H](CO)[C@@H]1O ZINC000027978382 FB Annotated Mild CN(C)CCNC(=O)c1nc(NC(=O)c2nc(NC=O)cn2C)cn1C ZINC000027980014 FB Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(C(N)=O)n3)c(F)c2)C(=O)O1 ZINC000028020145 FB Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C(N)=O)nn3)c(F)c2)C(=O)O1 ZINC000028109625 FB Annotated Anodyne CC(=O)OC[C@H](O[C@H](CO)COC(C)=O)n1cnc2c(F)nc(N)nc21 ZINC000028110787 FB Annotated Anodyne CC(=O)OC[C@H](CO)O[C@@H](COC(C)=O)n1cnc2c(F)nc(N)nc21 ZINC000028110793 FB Annotated Anodyne CC(=O)OC[C@@H](CO)O[C@H](COC(C)=O)n1cnc2c(F)nc(N)nc21 ZINC000028110798 FB Annotated Anodyne CC(=O)OC[C@H](CO)O[C@H](COC(C)=O)n1cnc2c(F)nc(N)nc21 ZINC000028110804 FB Annotated Anodyne O=[N+]([O-])OC[C@H](CCCC(P(=O)(O)O)P(=O)(O)O)O[N+](=O)[O-] ZINC000028127188 FB Annotated Anodyne O=[N+]([O-])OC[C@@H](CCCC(P(=O)(O)O)P(=O)(O)O)O[N+](=O)[O-] ZINC000028127203 FB Annotated Anodyne CC/C=C/C[C@H]1C(=O)CC[C@@H]1CC(=O)OC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@@H]1O ZINC000028372317 FB Annotated Anodyne CC/C=C/C[C@@H]1C(=O)CC[C@@H]1CC(=O)OC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@@H]1O ZINC000028372326 FB Annotated Anodyne CC/C=C/C[C@H]1C(=O)CC[C@H]1CC(=O)OC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@@H]1O ZINC000028372333 FB Annotated Anodyne CC/C=C/C[C@@H]1C(=O)CC[C@H]1CC(=O)OC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@@H]1O ZINC000028372340 FB Annotated Anodyne CC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C)cc2)CC1 ZINC000028429998 FB Annotated Anodyne CC(C)C[C@H](NC(=O)[C@]1(NC(=O)[C@H](C)N)CC[C@@H]2[C@H](C(=O)O)[C@@H]21)C(=O)O ZINC000028468262 FB Annotated Anodyne CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21 ZINC000028469064 FB Annotated Anodyne C[C@@]1(O)C[C@]2(O)C=CC3=C(C(=O)c4cccc(O)c4C3=O)[C@]2(O)C(=O)[C@H]1O ZINC000028539424 FB Annotated Mild CO[C@@H]1OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]1(F)n1ccc(=O)[nH]c1=O ZINC000028634647 FB Annotated Anodyne NC(=O)C[C@@H]1NC(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O ZINC000028634776 FB Annotated Mild O=C(O)C[C@@H]1NC(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O ZINC000028635541 FB Annotated Mild O=C(O)C[C@@H]1NC(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O ZINC000028635565 FB Annotated Mild NC(=O)C[C@@H]1NC(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O ZINC000028635568 FB Annotated Mild O=C1[C@H](O)[C@@H](COP2OCC[C@@H](O)O2)O[C@H]1N1C=C(F)C(O)=NC1 ZINC000028636414 FB Annotated Anodyne O=C1[C@H](O)[C@@H](COP2OCC[C@H](O)O2)O[C@H]1N1C=C(F)C(O)=NC1 ZINC000028636417 FB Annotated Anodyne C[C@@H]1NC(=O)C(F)=CN1[C@@H]1O[C@H](COP2OCCCO2)[C@@H](O)C1=O ZINC000028636442 FB Annotated Anodyne C[C@H]1NC(=O)C(F)=CN1[C@@H]1O[C@H](COP2OCCCO2)[C@@H](O)C1=O ZINC000028636446 FB Annotated Anodyne C=CCNC(=O)[C@H](Cn1cnc2c(Cl)nc(N)nc21)NS(C)(=O)=O ZINC000028713621 FB Annotated Mild CCO[C@@H]1CO[C@@]2(COS(N)(=O)=O)OC(C)(C)O[C@H]2[C@@H]1OCC ZINC000028766012 FB Annotated Anodyne CN(CCOCCn1cc[n+](C)c1/C=N/O)S(=O)(=O)C(F)(F)F ZINC000028769354 FB Annotated Mild Nc1c(F)c(N2CC[C@@H](N)C2)c(F)c2c1c(=O)n(N)c(=O)n2C1CC1 ZINC000028884594 FB Annotated Anodyne Nc1c(F)c(N2CC[C@H](N)C2)c(F)c2c1c(=O)n(N)c(=O)n2C1CC1 ZINC000028884602 FB Annotated Anodyne NC(=O)c1ccc(NC(=O)c2ncn3c(=O)n(CCCl)nnc23)cc1 ZINC000029316575 FB Annotated Reactive COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)CCCCCC1 ZINC000029320299 FB Annotated Anodyne C/C(=C\c1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O ZINC000029322299 FB Annotated Anodyne N=C(N)NCCCNC(=O)[C@H]1CCC(=O)N2C[C@H](CCC(=O)O)[C@H]2C1 ZINC000029323969 FB Annotated Anodyne CC(=O)N[C@@H](CSC(=O)c1cccnc1)C(=O)NCCO[N+](=O)[O-] ZINC000029326919 FB Annotated Anodyne C/C(=C\c1ccc(F)c(F)c1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O ZINC000029330318 FB Annotated Anodyne N=C(N)NCCCNC(=O)[C@@H]1CCC(=O)N2C[C@@H](CCC(=O)O)[C@@H]2C1 ZINC000029335412 FB Annotated Anodyne N=C(N)NCCCNC(=O)[C@H]1CCC(=O)N2C[C@@H](CCC(=O)O)[C@@H]2C1 ZINC000029335416 FB Annotated Anodyne N=C(N)NCCCNC(=O)[C@@H]1CCC(=O)N2C[C@H](CCC(=O)O)[C@H]2C1 ZINC000029335420 FB Annotated Anodyne O=C1O[C@@H]2[C@@H](O)CO[C@]2(O)[C@@]1(O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000029346424 FB Annotated Bother O=C1O[C@@H]2[C@@H](O)CO[C@]2(O)[C@@]1(O)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000029346428 FB Annotated Bother C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N3CC(O)C3)[C@H](C)[C@H]12 ZINC000029388808 FB Annotated Anodyne Nc1nc(=O)n([C@@H]2C[C@@H](CO)C[C@@H]2O)cc1I ZINC000029417199 FB Annotated Anodyne Nc1nc(=O)n([C@H]2C[C@@H](CO)C[C@@H]2O)cc1I ZINC000029417202 FB Annotated Anodyne Nc1nc(=O)n([C@@H]2C[C@H](CO)C[C@@H]2O)cc1I ZINC000029417205 FB Annotated Anodyne Nc1nc(=O)n([C@H]2C[C@H](CO)C[C@@H]2O)cc1I ZINC000029417208 FB Annotated Anodyne CN(C)S(=O)(=O)/N=C(\N)CCSCc1csc(N=C(N)N)n1 ZINC000029471661 FB Annotated Mild CN/C(N)=N\c1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1 ZINC000029471664 FB Annotated Mild N=C(N)c1cccc(O[C@@H]2N=C(Oc3cccc(C(=N)N)n3)CNC2=O)c1 ZINC000029472254 FB Annotated Anodyne CC(=O)N[C@H](C(=O)N1CCCCCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029551760 FB Annotated Mild CC(=O)N[C@@H](C(=O)N1CCCCCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029551763 FB Annotated Mild CC(=O)N[C@H](C(=O)N1CCCCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029557110 FB Annotated Mild CC(=O)N[C@@H](C(=O)N1CCCCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029557113 FB Annotated Mild Cc1nc(N)[nH]c(=O)c1N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000029559466 FB Annotated Anodyne CCCN(CC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029560085 FB Annotated Mild CCCN(CC)C(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029560088 FB Annotated Mild N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000029560909 FB Annotated Bother CCCCN(CC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029561139 FB Annotated Mild CCCCN(CC)C(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029561143 FB Annotated Mild CCCN(CCC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029562876 FB Annotated Mild CCCN(CCC)C(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029562880 FB Annotated Mild CC(=O)N[C@@H](C(=O)N1CCCC[C@H]1C)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029564360 FB Annotated Mild CC(=O)N[C@@H](C(=O)N1CCCC[C@@H]1C)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000029564364 FB Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@H]4C)C3=O)N1C[C@H]1N[C@H]12 ZINC000299804529 FB Annotated Mild CC/C=C/C[C@@H]1C(=O)CC[C@@H]1CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC000299810443 FB Annotated Anodyne CC/C=C/C[C@@H]1C(=O)CC[C@@H]1CC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC000299810444 FB Annotated Anodyne CC/C=C/C[C@@H]1C(=O)CC[C@@H]1CC(=O)OC1[C@H](O)[C@H](O)C(O)[C@@H](O)[C@H]1O ZINC000299810445 FB Annotated Anodyne CC/C=C/C[C@@H]1C(=O)CC[C@@H]1CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC000299810446 FB Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1nc(N)nc1C ZINC000299816105 FB Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2nc(N)nc2C)[C@@H]1OC(C)=O ZINC000299816106 FB Annotated Anodyne O=C1NC(=O)[C@@H]2[C@@H](OC[C@H]3O[C@H]2[C@H](O)[C@H]3O)[C@@H]1OCC1CCCCC1 ZINC000299816805 FB Annotated Anodyne O=C1NC(=O)[C@@H]2[C@@H](OC[C@H]3O[C@H]2[C@H](O)[C@@H]3O)[C@@H]1OCC1CCCCC1 ZINC000299816806 FB Annotated Anodyne CC1(C)[N+]([O-])=c2ccc(COc3ccccc3/C=N\NC(N)=O)cc2=[N+]1[O-] ZINC000299826429 FB Annotated Reactive Nn1c(Cc2cccs2)nn(CC(=O)N/N=C/c2cccnc2)c1=O ZINC000299827691 FB Annotated Reactive COC(=O)c1c(C(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)no[n+]1[O-] ZINC000299828582 FB Annotated Anodyne COC(=O)c1c(C(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)no[n+]1[O-] ZINC000299828584 FB Annotated Anodyne C[C@@H]1[C@@H]2C(=O)O[C@H]1[C@H](O)[C@H]1[C@]3(C)C(=CC(=O)[C@@]21C)[C@@](C)(O)C[C@H](O)[C@H]3O ZINC000299834213 FB Annotated Mild C[C@@H]1[C@@H]2C(=O)O[C@H]1[C@H](O)[C@@H]1[C@]3(C)C(=CC(=O)[C@@]21C)[C@@](C)(O)C[C@H](O)[C@H]3O ZINC000299834215 FB Annotated Mild C[C@H]1/C=C\C[C@@H]2[C@@H](O)CC[C@H]2CC(=O)OC[C@H]2O[C@@H](O1)[C@H](O)[C@@H](O)[C@@H]2O ZINC000299840085 FB Annotated Anodyne CNC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccccn3)C[C@@H]2N1S(C)(=O)=O ZINC000299841886 FB Annotated Anodyne CNC(=O)[C@H]1C[C@H]2CN(C(=O)c3cccnc3)C[C@@H]2N1S(C)(=O)=O ZINC000299842083 FB Annotated Anodyne CNC(=O)[C@H]1C[C@H]2CN(C(=O)c3ccncc3)C[C@@H]2N1S(C)(=O)=O ZINC000299842490 FB Annotated Anodyne CN(C)C(=O)CN1C[C@H]2CCN(c3ncccn3)CC[C@@H]2S1(=O)=O ZINC000299842504 FB Annotated Anodyne O=C(NCC1(COc2cnccn2)C[C@H](O)[C@@H](O)C1)C1CCOCC1 ZINC000299843190 FB Annotated Anodyne N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](CC(=O)c1ccncc1)C(=O)c1ccncc1 ZINC000299845912 FB Annotated Mild N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](CC(=O)c1ccncc1)C(=O)c1ccncc1 ZINC000299845914 FB Annotated Mild N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](CC(=O)c1ccncc1)C(=O)c1ccncc1 ZINC000299845915 FB Annotated Mild CCOC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@H]1CCCC[C@H]1C ZINC000299846480 FB Annotated Anodyne CCOC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1CCCC[C@H]1C ZINC000299846481 FB Annotated Anodyne COC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1[C@@H](C)CCC[C@H]1C ZINC000299847163 FB Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1[C@@H](C)CCC[C@H]1C ZINC000299847164 FB Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC1[C@H](C)CCC[C@H]1C ZINC000299847165 FB Annotated Anodyne CC(C)[C@H](N[C@]12O[C@@]3(O)[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@H]1[C@H]2[C@H]3[C@H]51)C(=O)N[C@@H](C)C(=O)O ZINC000299848141 FB Annotated Anodyne CC(C)[C@H](N[C@@]12O[C@@]3(O)[C@@H]4[C@H]5C[C@@H]([C@@H]6[C@@H]5[C@@H]3[C@@H]61)[C@H]42)C(=O)N[C@@H](C)C(=O)O ZINC000299848144 FB Annotated Anodyne CC(C)[C@H](N[C@@]12O[C@]3(O)[C@H]4[C@@H]1[C@@H]1[C@@H]5C[C@@H]([C@H]14)[C@@H]3[C@@H]52)C(=O)N[C@@H](C)C(=O)O ZINC000299848147 FB Annotated Anodyne CC(C)[C@H](N[C@]12O[C@@]3(O)[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@@H]1[C@@H]5[C@@H]3[C@@H]12)C(=O)N[C@@H](C)C(=O)O ZINC000299848150 FB Annotated Anodyne O=C(COCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)NO ZINC000299851792 FB Annotated Bother Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H](O)[C@H](O)C[C@H]2C(=O)O)cc1 ZINC000299862663 FB Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H](O)[C@H](O)C[C@@H]2C(=O)O)cc1 ZINC000299862664 FB Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H](O)[C@@H](O)C[C@H]2C(=O)O)cc1 ZINC000299862666 FB Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]2C(=O)O)cc1 ZINC000299862667 FB Annotated Anodyne CO[C@]12[C@H](COC(=O)N3CC3)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1[C@@H]2N1C ZINC000299869975 FB Annotated Mild CO[C@]12[C@H](COC(=O)N3CC3)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000299869976 FB Annotated Mild CO[C@]12[C@H](COC(=O)N3CC3)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1[C@H]2N1C ZINC000299869977 FB Annotated Mild CO[C@]12[C@H](COC(=O)N3CC3)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000299869978 FB Annotated Mild CCOC(=O)[C@]1(NC(=O)NCCNS(=O)(=O)N(C)C)CC1(C)C ZINC000299870269 FB Annotated Anodyne CCOC(=O)[C@@]1(NC(=O)NCCNS(=O)(=O)N(C)C)CC1(C)C ZINC000299870270 FB Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)[C@H]2C(=O)O)cc1 ZINC000299871651 FB Annotated Anodyne Cn1c(N)c(C(=O)COC(=O)c2ccc(Cl)nc2)c(=O)n(C)c1=O ZINC000003303465 FB Annotated Anodyne NC1=c2c(cc(=O)n3c2nc2ccccc23)CN1CCN1CCOCC1 ZINC000003324586 FB Annotated Anodyne CN(C)CCNC(=O)C1=CC=CN2C(=O)[C@@H]3C=c4ccccc4=C[C@@H]3N=C12 ZINC000301054672 FB Annotated Anodyne CN(C)CCNC(=O)C1=CC=CN2C(=O)[C@@H]3C=c4ccccc4=C[C@H]3N=C12 ZINC000301054673 FB Annotated Anodyne CN(C)CCNC(=O)C1=CC=CN2C(=O)[C@H]3C=c4ccccc4=C[C@@H]3N=C12 ZINC000301054674 FB Annotated Anodyne CN(C)CCNC(=O)C1=CC=CN2C(=O)[C@H]3C=c4ccccc4=C[C@H]3N=C12 ZINC000301054675 FB Annotated Anodyne O=C(O)C1=C/C(=C/C=N\[C@H](C(=O)O)c2cc(O)no2)C[C@@H](C(=O)O)N1 ZINC000030726480 FB Annotated Mild in-vitro CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](O)([C@H](C)O)C(C)(C)O)[C@H]12 ZINC000030727137 FB Annotated Anodyne in-vitro C[C@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000031372648 FB Annotated Anodyne C[C@@H]1O[C@@]12C[C@]1(CO1)[C@@](C)(O)C(=O)OCC1=CCN3CC[C@@H](OC2=O)[C@@H]13 ZINC000031459038 FB Annotated Anodyne COC(=O)C1=C(C(=O)OC)C(N(C)C)C(C(=O)OC)=C(C(=O)OC)S1 ZINC000031899977 FB Annotated Anodyne CSc1ncnc2c1cnn2Cc1cn(COC[C@@H](O)CO)nn1 ZINC000031904953 FB Annotated Anodyne CSc1ncnc2c1cnn2Cc1cnnn1COC[C@@H](O)CO ZINC000031904954 FB Annotated Anodyne CC(=O)O[C@H]1CO[C@@H](n2nc(N)nc2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000031904968 FB Annotated Anodyne C[S@@](=O)CC[C@@H](/N=C\C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000031970648 FB Annotated Mild in-vitro biogenic C[S@](=O)CC[C@@H](/N=C\C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000031970650 FB Annotated Mild in-vitro biogenic CN(C)Cc1c(C(=O)N/N=C\c2ccncc2)nnn1-c1nonc1N ZINC000033350783 FB Annotated Reactive CCOC(=O)[C@H](C)N[P@@]1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1 ZINC000033493520 FB Annotated Anodyne CCOC(=O)[C@H](C)N[P@]1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1 ZINC000033493521 FB Annotated Anodyne CC(=O)N[C@H](C(=O)N1CCCC[C@H]1C)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000033818969 FB Annotated Mild CC(=O)N[C@H](C(=O)N1CCCC[C@@H]1C)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000033818970 FB Annotated Mild CC1(C)S[C@H]([C@@H](C=O)NC(=O)[C@H](N)c2ccc(O)cc2)N[C@H]1C(=O)O ZINC000033821208 FB Annotated Mild in-vitro CC(C)[C@H]1C(=O)O[C@@H]2CCN3C[C@@H](O)[C@H](COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000033830367 FB Annotated Anodyne in-vitro biogenic C[S@@](=O)CC[C@H](/N=C\C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000033832825 FB Annotated Mild in-vitro C[S@](=O)CC[C@H](/N=C\C=C1\C=C(C(=O)O)N[C@@H](C(=O)O)C1)C(=O)O ZINC000033832826 FB Annotated Mild in-vitro O=C(c1cccnc1)N1CCN([C@H]2CO[C@@H]3[C@@H](O[N+](=O)[O-])CO[C@@H]32)CC1 ZINC000033899854 FB Annotated Anodyne CC[C@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NCCCc1c[nH]c(N)n1 ZINC000033998730 FB Annotated Anodyne in-vitro C[C@@H](O)COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@@H](C)O ZINC000034065284 FB Annotated Anodyne in-vitro O=C1N[C@@H]2C(=C[C@H](O)[C@H]3O[P@@](=O)(O)O[C@@H]23)c2cc3c(c(O)c21)OCO3 ZINC000034075341 FB Annotated Anodyne CC[C@@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)NCCCc1c[nH]c(N)n1 ZINC000034095986 FB Annotated Anodyne in-vitro C[C@@]1(O)[C@H](O)c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@H](O)[C@H]1O ZINC000034226670 FB Annotated Clean CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@]3(O)[C@H](C)OC(=O)[C@@H]3C)[C@H]12 ZINC000034268431 FB Annotated Anodyne Cc1cc(S(N)(=O)=O)c(S(=O)(=O)[C@@H](C)C(=O)NN)cc1Cl ZINC000034799867 FB Annotated Reactive Cc1cc(S(N)(=O)=O)c(S(=O)(=O)[C@H](C)C(=O)NN)cc1Cl ZINC000034799868 FB Annotated Reactive O=S(=O)(O)C[C@H]1CC[C@H](CS(=O)(=O)O)[C@H](CS(=O)(=O)O)C1 ZINC000003651246 FB Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCc1n[nH]c(=O)c2ccccc12 ZINC000003651423 FB Annotated Anodyne O=C(/C=C/c1ccc(O)c(O)c1O)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O ZINC000003804520 FB Annotated Clean N[C@@H]1[C@@H]2[C@@H]3C[C@H]4N(CC[C@@]14C(=O)C(=O)O)CC3=CCO[C@@H]2CC(=O)O ZINC000003954387 FB Annotated Anodyne N=C(N)c1cccc(O[C@H]2N=C(Oc3cccc(C(=N)N)n3)CNC2=O)c1 ZINC000036140590 FB Annotated Anodyne O=C(CNC(=O)c1[nH]cnc1C(=O)N1CCNCC1)OCc1ccccc1 ZINC000036378339 FB Annotated Anodyne C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCNCC1)C(=O)OC(C)(C)C ZINC000036378350 FB Annotated Anodyne NCCCC[C@@H](N)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 ZINC000036386742 FB Annotated Anodyne NCCCC[C@H](N)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 ZINC000036386743 FB Annotated Anodyne O=C1C2=N[C@H](O)C[C@]34C(=O)C[C@@H](O)[C@@H]([C@@H]3O)N3CCc5c[nH]c1c5C3=C24 ZINC000377839793 FB Annotated Clean CCC1=C(OC)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@H]2COC(N)=O ZINC000038150117 FB Annotated Mild CCC1=C(OC)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000038150123 FB Annotated Mild CC1=C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H]([C@@H](O)[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CC[C@@H]1[C@H]3O ZINC000038307637 FB Annotated Anodyne in-vitro biogenic C=C1C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H]([C@@H](O)[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CC[C@@H]1[C@H]3O ZINC000038331044 FB Annotated Mild in-vitro biogenic C[C@@]12C[C@@H]3O[C@@H]3[C@]3(C)C(=O)O[C@H]([C@H]4O[C@@]45C1=CC(=O)O[C@@H]5[C@H](O)CO)[C@H]23 ZINC000038698087 FB Annotated Anodyne Cn1c(=O)n(-c2ccccc2)c(=O)n([C@@H](Cc2ccccc2)C(N)=O)c1=O ZINC000038844509 FB Annotated Anodyne C=C[C@](C)(CC/C=C(\CO)C(=O)OC)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O ZINC000038987099 FB Annotated Mild COC(=O)[C@@H](O)[C@H](O[C@H](C#N)c1ccccc1)O[C@H](CO)C(=O)OC ZINC000039029218 FB Annotated Mild in-man Cc1nc(SCC(=O)N2CCOCC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004138744 FB Annotated Anodyne CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC000004148845 FB Annotated Anodyne CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC000004148846 FB Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)C1 ZINC000004148847 FB Annotated Anodyne O=C(COC(=O)[C@H]1COc2ccccc2O1)N[C@H]1CCS(=O)(=O)C1 ZINC000004195367 FB Annotated Anodyne O=C(COC(=O)[C@@H]1COc2ccccc2O1)N[C@H]1CCS(=O)(=O)C1 ZINC000004195368 FB Annotated Anodyne Cn1c(N)c(S(=O)(=O)NCc2ccccc2Cl)c(=O)n(C)c1=O ZINC000004339425 FB Annotated Anodyne Cn1c(N)c(S(=O)(=O)NCc2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000004339440 FB Annotated Anodyne CO[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@H]1OC(C)=O ZINC000040380427 FB Annotated Anodyne COc1ccc(S(=O)(=O)NN2C(=O)C(=O)N=C2c2cnccn2)cc1 ZINC000040391480 FB Annotated Anodyne CCOC(=O)[C@@H](C)N[P@@]1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1 ZINC000040392229 FB Annotated Anodyne CCOC(=O)[C@@H](C)N[P@]1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1 ZINC000040392232 FB Annotated Anodyne CCCN[C@@H]1C[C@@H]2c3cc4c(c(O)c3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4 ZINC000040423386 FB Annotated Anodyne O=C1N[C@H]2[C@@H]3O[P@](=O)(O)O[C@@H]3[C@@H](O)C[C@@H]2c2cc3c(c(O)c21)OCO3 ZINC000040425185 FB Annotated Anodyne OC[C@H]1O[C@@H](n2cc(Cn3cnc4c3ncn3ccnc43)nn2)C[C@@H]1O ZINC000040428710 FB Annotated Anodyne NC(=O)[C@@H]1CS[C@@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N21 ZINC000040430304 FB Annotated Anodyne C/N=C(\NC#N)NCCSCn1nc(N2CCOCC2)ccc1=O ZINC000040466874 FB Annotated Mild CC(=O)O[C@@H]1O[C@H](n2ccc(N)c(F)c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000040479378 FB Annotated Anodyne CC(=O)O[C@@H]1O[C@H](n2ccc(N)c(F)c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000040479381 FB Annotated Anodyne CC(=O)O[C@@H]1O[C@H](n2ccc(N)c(F)c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000040479384 FB Annotated Anodyne CO[C@H]1O[C@@H](CO)[C@@H](Sc2nc(CN(C)C)ccc2O)[C@@H](O)[C@H]1O ZINC000040514743 FB Annotated Anodyne CO[C@H]1O[C@@H](CO)[C@H](Sc2nc(CN(C)C)ccc2O)[C@@H](O)[C@H]1O ZINC000040514745 FB Annotated Anodyne CO[C@H]1O[C@H](CO)[C@@H](Sc2nc(CN(C)C)ccc2O)[C@@H](O)[C@H]1O ZINC000040514747 FB Annotated Anodyne CO[C@H]1O[C@H](CO)[C@H](Sc2nc(CN(C)C)ccc2O)[C@@H](O)[C@H]1O ZINC000040514749 FB Annotated Anodyne N=C(N)NCCCNC(=O)[C@@H]1CCC(=O)N2C[C@H](CCC(=O)O)[C@@H]2C1 ZINC000040723595 FB Annotated Anodyne COC[C@H]1O[C@@H](O)[C@@H](NC(=O)N(CCCl)N=O)[C@@H](OC)[C@@H]1OC ZINC000040801809 FB Annotated Reactive COC[C@@H]1O[C@@H](O)[C@@H](NC(=O)N(CCCl)N=O)[C@@H](OC)[C@@H]1OC ZINC000040801813 FB Annotated Reactive CNCC1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O ZINC000040845148 FB Annotated Mild CCN(CC)C(=O)N1C[C@@H](C(=O)O)[C@@H](N)[C@@H]1CNC(=O)C(F)(F)F ZINC000040864044 FB Annotated Anodyne CCC(=O)O[C@H]1C=C2c3cc4c(c(O)c3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4 ZINC000040899881 FB Annotated Anodyne CCCN[C@@H]1C[C@H]2c3cc4c(c(O)c3C(=O)N[C@H]2[C@H](O)[C@@H]1O)OCO4 ZINC000040915333 FB Annotated Anodyne Cc1cn(CN(CCO)S(=O)(=O)c2ccc(N)cc2)c(=O)[nH]c1=O ZINC000040917201 FB Annotated Anodyne Cc1cn(CN(CCO)S(=O)(=O)c2ccccc2N)c(=O)[nH]c1=O ZINC000040917204 FB Annotated Anodyne [O-][n+]1nc(CCCN2CCOCC2)[n+]([O-])c2cc3c(cc21)C[C@H](CO)C3 ZINC000040937339 FB Annotated Anodyne [O-][n+]1nc(CCCN2CCOCC2)[n+]([O-])c2cc3c(cc21)C[C@@H](CO)C3 ZINC000040937341 FB Annotated Anodyne COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccccc2)CN1S(C)(=O)=O ZINC000040953613 FB Annotated Mild O=C1CN(CCO)C(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040953807 FB Annotated Mild O=C1CN(CCO)C(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040953809 FB Annotated Mild NCCN1CC(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000040954183 FB Annotated Mild NCCN1CC(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000040954185 FB Annotated Mild COCCNc1cc(OCCN(C)C)nc(OCCCNC(=N)N)n1 ZINC000040956132 FB Annotated Anodyne NC(=O)[C@@H]1CS[C@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N21 ZINC000040957317 FB Annotated Anodyne NC(=O)[C@H]1CS[C@H]2CC[C@]3(CCCN3C(=O)[C@@H]3CCCN3)C(=O)N21 ZINC000040957840 FB Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCNS3(=O)=O)c(F)c2)C(=O)O1 ZINC000040973246 FB Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@@H](O)[C@]2(C[C@@]3(C)O)[C@H](O)[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C ZINC000040980655 FB Annotated Mild C[C@H](Cn1ncnn1)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000043203526 FB Annotated Bother COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3[C@@H](CN21)N3C ZINC000043443419 FB Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@H]3[C@@H](CN21)N3C ZINC000043443421 FB Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CC(=O)ON)[C@@]1(OC)[C@@H]3[C@H](CN21)N3C ZINC000043664440 FB Annotated Mild O=C(O)CCC(=O)OCC1=CC(=O)C(COC(=O)CCC(=O)O)=CC1=O ZINC000043693222 FB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@H]4C)C3=O)N1C[C@H]1N[C@H]12 ZINC000043706612 FB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@@H]4C)C3=O)N1C[C@H]1N[C@H]12 ZINC000043706613 FB Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CC4)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000044005582 FB Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CC4)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000044005586 FB Annotated Mild O=C1C=C(COC(=O)CCC(=O)O)C(=O)C(COC(=O)CCC(=O)O)=C1 ZINC000044118187 FB Annotated Mild COC1=C(Cl)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21 ZINC000044246890 FB Annotated Mild COC(=O)COC(=O)[C@H](C)/N=C/C=C/N[C@@H](C)C(=O)OCC(=O)OC ZINC000045339505 FB Annotated Mild O=C(CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)N[C@@H](CO)C(=O)O ZINC000045348974 FB Annotated Anodyne C[C@@H](O)[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)O ZINC000045349458 FB Annotated Anodyne CCCCCCCCCCNS(=O)(=O)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000473088016 FB Annotated Mild CC(C)CCC[C@H](C)CCNS(=O)(=O)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000473091495 FB Annotated Anodyne CC(C)CCC[C@@H](C)CCNS(=O)(=O)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000473091496 FB Annotated Anodyne CC1(C)OB(CN=c2ccn([C@H]3C[C@@H](O)[C@@H](CO)O3)c(O)n2)OC1(C)C ZINC000473112849 FB Annotated Mild O=C(NCCO)[C@@H]1c2c(O)cccc2-n2c(=O)c3ccccc3c(=O)n21 ZINC000473113873 FB Annotated Clean O=C(NCCO)[C@H]1c2c(O)cccc2-n2c(=O)c3ccccc3c(=O)n21 ZINC000473113881 FB Annotated Clean CN(CC(=O)OCc1ccc([N+](=O)[O-])cc1)NC(=O)C[C@@H](N)CCN ZINC000473132408 FB Annotated Reactive CN=c1[nH]c2c(cc(C(=O)NC3CC3)n2C[C@H](O)CO)c2c1ncn2C ZINC000473135109 FB Annotated Anodyne CN=c1[nH]c2c(cc(C(=O)N(C)C3CC3)n2C[C@H](O)CO)c2c1ncn2C ZINC000473136234 FB Annotated Anodyne C[C@@H]1[C@@H]2C(=O)O[C@H]1[C@H](O)[C@@H]1[C@]3(C)C(=CC(=O)[C@@]21C)[C@@]1(C)O[C@H]1C(=O)[C@H]3O ZINC000049033819 FB Annotated Mild C[C@@H]1[C@@H]2C(=O)O[C@H]1[C@H](O)[C@@H]1[C@]3(C)C(=CC(=O)[C@@]21C)[C@]1(C)O[C@@H]1C(=O)[C@H]3O ZINC000049033821 FB Annotated Mild CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C[C@@]12O ZINC000049033823 FB Annotated Mild O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@@H]1[C@H](O)C=C4S[C@@H](C[C@@]43[C@H]1O)N2 ZINC000049052419 FB Annotated Mild N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(=O)NC2CC2)CC1 ZINC000049052607 FB Annotated Mild CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CNCCN)[C@H]2OC(C)(C)O[C@@H]12 ZINC000049088914 FB Annotated Anodyne Oc1ncnc2c([C@H]3O[C@H](I)[C@@H](O)[C@H]3O)[nH]nc12 ZINC000049112826 FB Annotated Reactive NC1=NCN=C2[C@@H]1N=CN2[C@H]1O[C@H](CSCC(F)(F)F)[C@@H](O)[C@H]1O ZINC000049771469 FB Annotated Anodyne NC1=NCN=C2[C@H]1N=CN2[C@H]1O[C@H](CSCC(F)(F)F)[C@@H](O)[C@H]1O ZINC000049771470 FB Annotated Anodyne NC1=NCN=C2[C@@H]1N=CN2[C@@H]1O[C@H](CSCC(F)(F)F)[C@@H](O)[C@H]1O ZINC000049771471 FB Annotated Anodyne NC1=NCN=C2[C@H]1N=CN2[C@@H]1O[C@H](CSCC(F)(F)F)[C@@H](O)[C@H]1O ZINC000049771472 FB Annotated Anodyne NC1=NCN=C2[C@@H]1N=CN2[C@H]1O[C@H](CSC(F)(F)F)[C@@H](O)[C@H]1O ZINC000049771877 FB Annotated Anodyne NC1=NCN=C2[C@H]1N=CN2[C@H]1O[C@H](CSC(F)(F)F)[C@@H](O)[C@H]1O ZINC000049771878 FB Annotated Anodyne NC1=NCN=C2[C@@H]1N=CN2[C@@H]1O[C@H](CSC(F)(F)F)[C@@H](O)[C@H]1O ZINC000049771879 FB Annotated Anodyne NC1=NCN=C2[C@H]1N=CN2[C@@H]1O[C@H](CSC(F)(F)F)[C@@H](O)[C@H]1O ZINC000049771880 FB Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@@H](C)[C@H](O)[C@H](O)[C@H]2[C@@]13C ZINC000049774798 FB Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H]3[C@@H](C)[C@H](O)[C@H](O)[C@H]2[C@]31C ZINC000049774800 FB Annotated Mild in-vitro biogenic C[C@@H]1[C@@H]2C(=O)O[C@H]1[C@H](O)[C@H]1[C@@]2(C)C(=O)C=C2[C@]3(C)O[C@@H]3[C@H](O)[C@@H](O)[C@@]21C ZINC000049775116 FB Annotated Mild CC1=C2C(=O)[C@H](O)[C@@]3(C)[C@H]4C(=O)O[C@H]([C@@H]4C)[C@H](O)[C@@H]3[C@@]2(C)[C@H](O)[C@@H](O)C1 ZINC000049775380 FB Annotated Mild O=C(O)[C@H]1O[C@@H](OC2=NN(c3ccccc3)CCC2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000049793573 FB Annotated Anodyne Nc1ncnc2c1c(I)cn2COC(CO)CO ZINC000000607508 FB Annotated Anodyne CCOC(=O)Cc1nc2nc(N(C[C@H](C)O)C[C@H](C)O)ccc2[nH]c1=O ZINC000000766710 FB Annotated Anodyne O=C(O)CCNC(=O)CN1CCc2ccc(N3CCNCC3)cc2C1=O ZINC000000838656 FB Annotated Anodyne CCCC[S@@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000005368455 FB Annotated Anodyne CCCC[S@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000005368456 FB Annotated Anodyne CO[C@H]1[C@@H](OC)[C@@H](COC(C)C)O[C@@H](OCC(=O)O)[C@H]1OCCO ZINC000053313204 FB Annotated Anodyne CO[C@H]1[C@H](COC(C)C)O[C@@H](OCC(=O)O)[C@@H](OCCO)[C@H]1OC ZINC000053313207 FB Annotated Anodyne CO[C@@H]1[C@H](OCCO)[C@H](OCC(=O)O)O[C@@H](COC(C)C)[C@H]1OC ZINC000053313209 FB Annotated Anodyne C[C@]12CC(=O)[C@@]3(O)[C@](O)(CC[C@@]4(O)C(=O)c5c(O)cccc5C(=O)[C@@]43O1)C2 ZINC000053622049 FB Annotated Clean in-vitro biogenic CC1(C)S[C@@H]([C@H](C=O)NC(=O)[C@@H](N)c2ccc(O)cc2)N[C@H]1C(=O)O ZINC000053684039 FB Annotated Mild in-vivo CO[C@@H]1CC[C@](C)(O)C(C(=O)[C@]2(C)NC(=O)CC[C@H](N)C(=O)O2)=C1O ZINC000053687153 FB Annotated Mild CC1=C2C(=O)C=C(COC(=O)C(=O)O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1 ZINC000535384017 FB Annotated Mild CC1=C2C(=O)C=C(COC(=O)C(=O)O)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1 ZINC000535384018 FB Annotated Mild CO[C@]1(C)CNCC(C)(C)NC(=O)[C@](C)(OC)CNCC(C)(C)NC1=O ZINC000005741518 FB Annotated Anodyne CO[C@@]1(C)CNCC(C)(C)NC(=O)[C@](C)(OC)CNCC(C)(C)NC1=O ZINC000005741520 FB Annotated Anodyne CO[C@@]1(C)CNCC(C)(C)NC(=O)[C@@](C)(OC)CNCC(C)(C)NC1=O ZINC000005741525 FB Annotated Anodyne [N-]=[N+]=N[C@H]1[C@@H](Br)C(=O)N=C(O)N1[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000005850934 FB Annotated Reactive COc1nc2c(c(=O)n1C)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)CO[C@H]1N2 ZINC000005922454 FB Annotated Anodyne CCOC(=O)CCN1C(=O)c2ccc(NC(=O)C(=O)O)cc2S1(=O)=O ZINC000005922861 FB Annotated Anodyne CCOC(=O)CN1C(=O)c2ccc(NC(=O)C(=O)O)cc2S1(=O)=O ZINC000005924110 FB Annotated Anodyne CC(C)CN(C(=O)N(CCCl)N=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000058504709 FB Annotated Reactive C#CCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000058563500 FB Annotated Mild CCOC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000058609522 FB Annotated Mild C[C@](COC(=O)CCCC(=O)O)([C@@H](N/C=C/C=O)C(=O)O)[S@@](=O)O ZINC000058650050 FB Annotated Reactive O=C(O)C[C@@H](O)Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586889316 FB Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586889318 FB Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586938441 FB Annotated Mild C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586938446 FB Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586939938 FB Annotated Reactive C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586939939 FB Annotated Reactive N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cncnc3[nH]2)cc1 ZINC000586940472 FB Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cnncc3[nH]2)cc1 ZINC000586940510 FB Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ncc[nH]c-3n2)cc1 ZINC000586940686 FB Annotated Mild N=c1[nH]cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc-2[nH]1 ZINC000586942115 FB Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586943180 FB Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CC1 ZINC000586955869 FB Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC1 ZINC000586955986 FB Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586958718 FB Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586958726 FB Annotated Anodyne CN(C)C(=O)Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587196993 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(Cl)ccnc2[nH]1)C(=O)O ZINC000587217128 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(Cl)ccnc2[nH]1)C(=O)O ZINC000587217132 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(Cl)ccnc2[nH]1)C(=O)O ZINC000587217135 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(Cl)ccnc2[nH]1)C(=O)O ZINC000587217138 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2nc(Cl)c[nH]c-2n1)C(=O)O ZINC000587217271 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2nc(Cl)c[nH]c-2n1)C(=O)O ZINC000587217272 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(F)cnc2[nH]1 ZINC000587217291 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(F)cnc2[nH]1 ZINC000587217293 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)cnc2[nH]1 ZINC000587217294 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)cnc2[nH]1 ZINC000587217296 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2nc(Cl)c[nH]c-2n1)C(=O)O ZINC000587217374 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2nc(Cl)c[nH]c-2n1)C(=O)O ZINC000587217376 FB Annotated Anodyne COc1cncc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587217640 FB Annotated Anodyne COc1cncc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587217641 FB Annotated Anodyne COc1cncc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587217642 FB Annotated Anodyne COc1cncc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587217643 FB Annotated Anodyne COc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cn1 ZINC000587217648 FB Annotated Anodyne COc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cn1 ZINC000587217649 FB Annotated Anodyne COc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cn1 ZINC000587217650 FB Annotated Anodyne COc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cn1 ZINC000587217651 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Cl)ncnc2[nH]1 ZINC000587217919 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Cl)ncnc2[nH]1 ZINC000587217920 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Cl)ncnc2[nH]1 ZINC000587217921 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Cl)ncnc2[nH]1 ZINC000587217922 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cncc(Cl)c2[nH]1)C(=O)O ZINC000587217973 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cncc(Cl)c2[nH]1)C(=O)O ZINC000587217974 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cncc(Cl)c2[nH]1)C(=O)O ZINC000587217976 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cncc(Cl)c2[nH]1)C(=O)O ZINC000587217978 FB Annotated Anodyne Nc1nccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587218033 FB Annotated Anodyne Nc1nccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587218039 FB Annotated Anodyne Nc1nccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587218040 FB Annotated Anodyne Nc1nccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587218041 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(F)cnc2[nH]1)C(=O)O ZINC000587218199 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(F)cnc2[nH]1)C(=O)O ZINC000587218200 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(F)cnc2[nH]1)C(=O)O ZINC000587218201 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(F)cnc2[nH]1)C(=O)O ZINC000587218202 FB Annotated Anodyne Nc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cn1 ZINC000587218319 FB Annotated Anodyne Nc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cn1 ZINC000587218320 FB Annotated Anodyne Nc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cn1 ZINC000587218322 FB Annotated Anodyne Nc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cn1 ZINC000587218324 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587218463 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587218464 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587218465 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587218466 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587218995 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587218997 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587218999 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587219002 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)O ZINC000587219757 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)O ZINC000587219764 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)O ZINC000587219768 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)O ZINC000587219771 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccnc(Cl)c2[nH]1)C(=O)O ZINC000587220290 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccnc(Cl)c2[nH]1)C(=O)O ZINC000587220292 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccnc(Cl)c2[nH]1)C(=O)O ZINC000587220294 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccnc(Cl)c2[nH]1)C(=O)O ZINC000587220298 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cnc(Cl)[nH]c-2n1)C(=O)O ZINC000587220658 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cnc(Cl)[nH]c-2n1)C(=O)O ZINC000587220659 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cnc(Cl)[nH]c-2n1)C(=O)O ZINC000587220660 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cnc(Cl)[nH]c-2n1)C(=O)O ZINC000587220661 FB Annotated Anodyne COc1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2n1 ZINC000587221506 FB Annotated Anodyne COc1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2n1 ZINC000587221507 FB Annotated Anodyne COc1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2n1 ZINC000587221508 FB Annotated Anodyne COc1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2n1 ZINC000587221509 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(Cl)ncnc2[nH]1)C(=O)O ZINC000587221540 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c(Cl)ncnc2[nH]1)C(=O)O ZINC000587221541 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(Cl)ncnc2[nH]1)C(=O)O ZINC000587221542 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c(Cl)ncnc2[nH]1)C(=O)O ZINC000587221543 FB Annotated Anodyne Nc1ccnc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 ZINC000587222218 FB Annotated Anodyne Nc1ccnc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 ZINC000587222219 FB Annotated Anodyne Nc1ccnc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 ZINC000587222220 FB Annotated Anodyne Nc1ccnc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 ZINC000587222221 FB Annotated Anodyne N#Cc1cccc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c12 ZINC000587222759 FB Annotated Mild N#Cc1cccc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c12 ZINC000587222762 FB Annotated Mild N#Cc1cccc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c12 ZINC000587222764 FB Annotated Mild N#Cc1cccc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c12 ZINC000587222766 FB Annotated Mild Nc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1N ZINC000587222835 FB Annotated Anodyne Nc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1N ZINC000587222837 FB Annotated Anodyne Nc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1N ZINC000587222839 FB Annotated Anodyne Nc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1N ZINC000587222840 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccnc(O)c2[nH]1 ZINC000587223135 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccnc(O)c2[nH]1 ZINC000587223144 FB Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccnc(O)c2[nH]1 ZINC000587223145 FB Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccnc(O)c2[nH]1 ZINC000587223148 FB Annotated Anodyne COc1nccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587223981 FB Annotated Anodyne COc1nccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587223982 FB Annotated Anodyne COc1nccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587223983 FB Annotated Anodyne COc1nccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587223984 FB Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CNCCNCC(=O)O)[nH]c12 ZINC000587229100 FB Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CNCCNCC(=O)O)[nH]c2c1 ZINC000587229373 FB Annotated Anodyne N[C@]1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CCOC1 ZINC000587248303 FB Annotated Anodyne N[C@@]1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CCOC1 ZINC000587248304 FB Annotated Anodyne N[C@@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C1COC1 ZINC000587256793 FB Annotated Anodyne O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cnnc(O)c2[nH]1 ZINC000587271681 FB Annotated Bother N=c1[nH]cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc-2[nH]1 ZINC000587271815 FB Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(O)ncnc2[nH]1 ZINC000587272129 FB Annotated Bother Nc1ncnc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587273862 FB Annotated Bother CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408846 FB Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408849 FB Annotated Anodyne CCO[C@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408850 FB Annotated Anodyne CCO[C@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587408851 FB Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587422939 FB Annotated Reactive COc1cc2c3c(c1)O[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587422969 FB Annotated Reactive COc1cc2c3c(c1)O[C@]1(CN(C[C@H](N)C(=O)O)C=CC1=O)[C@@H](C2)C3=O ZINC000587434557 FB Annotated Mild COc1cc2c3c(c1)O[C@@]1(CN(C[C@H](N)C(=O)O)C=CC1=O)[C@@H](C2)C3=O ZINC000587434558 FB Annotated Mild COc1cc2c3c(c1)O[C@]1(C=CN(C[C@H](N)C(=O)O)CC1=O)[C@@H](C2)C3=O ZINC000587439475 FB Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=CN(C[C@H](N)C(=O)O)CC1=O)[C@@H](C2)C3=O ZINC000587439476 FB Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)(CN[C@H]1CCS(=O)(=O)C1)[C@@H](C2)C3=O ZINC000587449071 FB Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)(CN[C@@H]1CCS(=O)(=O)C1)[C@@H](C2)C3=O ZINC000587449075 FB Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)(CN[C@H]1CCS(=O)(=O)C1)[C@@H](C2)C3=O ZINC000587449077 FB Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)(CN[C@@H]1CCS(=O)(=O)C1)[C@@H](C2)C3=O ZINC000587449078 FB Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587451697 FB Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587451711 FB Annotated Anodyne CCO[C@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587451712 FB Annotated Anodyne CCO[C@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587451716 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)CC2=O ZINC000587475771 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587475772 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)CC2=O ZINC000587475773 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)CC2=O ZINC000587475774 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587475775 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587475776 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587475777 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587475778 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587475779 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)CC2=O ZINC000587475780 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587475781 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587475782 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)CC2=O ZINC000587476598 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)CC2=O ZINC000587476603 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2=O ZINC000587477167 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2=O ZINC000587477168 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587477169 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587477170 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587477171 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)CC2=O ZINC000587477172 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587477173 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587477174 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587477175 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587477176 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587477177 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587477178 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587477179 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)CC2=O ZINC000587477180 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587477181 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587477182 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587477183 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587477184 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)CC2=O ZINC000587477185 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2=O ZINC000587477186 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)([C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587478158 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)([C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587478164 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587480691 FB Annotated Mild CCCc1c(O)ccc2c1O[C@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587480698 FB Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C(=O)O[C@@H]1[C@@H](O)CO ZINC000587481202 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C(=O)O[C@@H]1[C@@H](O)CO ZINC000587481218 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)O[C@H]([C@@H](O)CO)[C@H]1O ZINC000587484943 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)O[C@H]([C@H](O)CO)[C@H]1O ZINC000587484951 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)O[C@H]([C@@H](O)CO)[C@H]1O ZINC000587484955 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)O[C@H]([C@@H](O)CO)[C@@H]1O ZINC000587484958 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)O[C@H]([C@H](O)CO)[C@@H]1O ZINC000587484962 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)O[C@H]([C@H](O)CO)[C@H]1O ZINC000587484965 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)O[C@H]([C@@H](O)CO)[C@@H]1O ZINC000587484968 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)O[C@H]([C@H](O)CO)[C@@H]1O ZINC000587484970 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)([C@@H](O)[C@H](O)[C@@H](O)C(=O)O)CC2=O ZINC000587485416 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)([C@@H](O)[C@H](O)[C@@H](O)C(=O)O)CC2=O ZINC000587485418 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587485505 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587485506 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)O[C@H]([C@@H](O)CO)C1=O ZINC000587486996 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)O[C@H]([C@@H](O)CO)C1=O ZINC000587487001 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O)CC2=O ZINC000587488390 FB Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O)CC2=O ZINC000587488394 FB Annotated Anodyne O=C1C[C@](C(=O)O)([C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529367 FB Annotated Anodyne O=C1C[C@@](C(=O)O)([C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529368 FB Annotated Anodyne O=C1C[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529734 FB Annotated Anodyne O=C1C[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529736 FB Annotated Anodyne O=C1C[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529737 FB Annotated Anodyne O=C1C[C@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529739 FB Annotated Anodyne O=C1C[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529740 FB Annotated Anodyne O=C1C[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529741 FB Annotated Anodyne O=C1C[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529742 FB Annotated Anodyne O=C1C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529743 FB Annotated Anodyne O=C1C[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529744 FB Annotated Anodyne O=C1C[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529745 FB Annotated Anodyne O=C1C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529746 FB Annotated Anodyne O=C1C[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529747 FB Annotated Anodyne O=C1C[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529748 FB Annotated Anodyne O=C1C[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529749 FB Annotated Anodyne O=C1C[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529750 FB Annotated Anodyne O=C1C[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529751 FB Annotated Anodyne O=C1C[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529752 FB Annotated Anodyne O=C1C[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529753 FB Annotated Anodyne O=C1C[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529754 FB Annotated Anodyne O=C1C[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587529755 FB Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O ZINC000587531347 FB Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O ZINC000587531348 FB Annotated Anodyne O=C1C[C@@](CO)([C@@H](O)[C@H](O)[C@@H](O)C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587531514 FB Annotated Anodyne O=C1C[C@](CO)([C@@H](O)[C@H](O)[C@@H](O)C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587531516 FB Annotated Anodyne O=C1C[C@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531984 FB Annotated Anodyne O=C1C[C@@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531987 FB Annotated Anodyne O=C1C[C@@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531989 FB Annotated Anodyne O=C1C[C@@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531990 FB Annotated Anodyne O=C1C[C@@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531991 FB Annotated Anodyne O=C1C[C@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531992 FB Annotated Anodyne O=C1C[C@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531993 FB Annotated Anodyne O=C1C[C@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531994 FB Annotated Anodyne O=C1C[C@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587531995 FB Annotated Anodyne O=C1C[C@@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587532194 FB Annotated Anodyne O=C1C[C@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587532195 FB Annotated Anodyne O=C1C[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587532196 FB Annotated Anodyne O=C[C@]1([C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532763 FB Annotated Mild O=C[C@@]1([C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532767 FB Annotated Mild O=C1C[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587534059 FB Annotated Anodyne O=C1C[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587534060 FB Annotated Anodyne O=C1C[C@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587534846 FB Annotated Anodyne O=C1C[C@@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587534847 FB Annotated Anodyne Cn1c(=O)c2cc(-c3ccc4c(O)nc(O)nc4n3)n(C)c2n(C)c1=O ZINC000587557561 FB Annotated Anodyne COC(=O)c1nnn(Cc2ccc3c(O)nc(O)nc3n2)c1C(=O)OC ZINC000587558237 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CO ZINC000587608840 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)CO ZINC000587608842 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)[C@H](O)CO ZINC000587608843 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587608844 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)[C@H](O)CO ZINC000587608845 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587608846 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CO ZINC000587608847 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587608848 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CO ZINC000587608849 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CO ZINC000587608850 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587608851 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)CO ZINC000587608852 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)[C@@H](O)CO ZINC000587609696 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)[C@@H](O)CO ZINC000587609697 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)[C@@H](O)CO ZINC000587609698 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)[C@@H](O)CO ZINC000587609699 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)CO ZINC000587616849 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)CO ZINC000587616850 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@@H](O)[C@H](O)CO ZINC000587616851 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587616852 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587616853 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)CO ZINC000587616854 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)CO ZINC000587616855 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)CO ZINC000587616856 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@@H](O)[C@H](O)CO ZINC000587616857 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)CO ZINC000587616858 FB Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587616859 FB Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587616860 FB Annotated Anodyne O=C(O)c1cccc2c(N3CCOCC3)c([C@@H](O)[C@H](O)[C@H](O)CO)[nH]c12 ZINC000587639291 FB Annotated Anodyne O=[N+]([O-])c1cccc2[nH]c([C@@H](O)[C@H](O)[C@H](O)CO)c(N3CCOCC3)c12 ZINC000587648493 FB Annotated Bother O=[N+]([O-])c1ccc2c(N3CCOCC3)c([C@@H](O)[C@H](O)[C@H](O)CO)[nH]c2c1 ZINC000587649069 FB Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](O)[C@@H](O)C(=O)NN ZINC000587870271 FB Annotated Reactive CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](O)[C@@H](O)C(=O)NN ZINC000587870272 FB Annotated Reactive CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](O)[C@H](O)C(=O)NN ZINC000587870273 FB Annotated Reactive CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](O)[C@H](O)C(=O)NN ZINC000587870274 FB Annotated Reactive C#CCn1nnc2cc3c(=O)n([C@H](C)Cn4ncnn4)cnc3cc2c1=O ZINC000059185042 FB Annotated Mild C#CCn1nnc2cc3c(=O)n([C@H](C)Cn4cnnn4)cnc3cc2c1=O ZINC000059185044 FB Annotated Mild O=c1c2cc3nnn(C4CC4)c(=O)c3cc2ncn1CCn1ncnn1 ZINC000059185046 FB Annotated Bother C[C@H](Cn1cnnn1)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000059185670 FB Annotated Bother C=CCn1nnc2cc3c(=O)n([C@H](C)Cn4ncnn4)nnc3cc2c1=O ZINC000059185955 FB Annotated Mild O=C(/C=C/c1cccc(O)c1O)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O ZINC000059585807 FB Annotated Clean in-vitro biogenic COc1ccc(CCc2cc(=O)c3c(o2)[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)cc1O ZINC000059587767 FB Annotated Anodyne in-vitro biogenic COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1Cc1ccc(Cl)cc1 ZINC000059722020 FB Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1Cc1ccc(C)s1 ZINC000059722022 FB Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1Cc1ccc(C)s1 ZINC000059722025 FB Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1Cc1cc(F)ccc1F ZINC000059722027 FB Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)O[C@@H]2C(=O)N3CC[C@H]4O[C@H](O)[C@@H]2[C@H]43)cc1 ZINC000006002044 FB Annotated Anodyne CO[C@H]1O[C@@H]2[C@H](O)CN3C(=O)[C@H](OS(=O)(=O)c4ccc(C)cc4)[C@H]1[C@H]23 ZINC000006002048 FB Annotated Mild CC(=O)O[C@@H]1CO[C@H](n2nc(N)nc2C)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000006010218 FB Annotated Anodyne CC(=O)O[C@@H]1[C@@H](n2nc(N)nc2C)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000006010220 FB Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1nc(N)nc1C ZINC000006010221 FB Annotated Anodyne C[C@]1(O)C[C@]2(O)CCC3=C(C(=O)c4cccc(O)c4C3=O)[C@]2(O)C(=O)[C@H]1O ZINC000006032151 FB Annotated Mild CS(=O)(=O)c1ccc(C(=O)O[C@@H]2C(=O)N3CC[C@H]4O[C@@H](O)[C@@H]2[C@H]43)cc1 ZINC000006485211 FB Annotated Anodyne CCOC(=O)CC[C@H](NC(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)OCC ZINC000061936453 FB Annotated Anodyne CCC/N=C1\N(C)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N12 ZINC000061942221 FB Annotated Mild CCC/N=C1\N(CC)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C(=O)OC)N12 ZINC000061942226 FB Annotated Mild CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(=O)NC(C)C)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947117 FB Annotated Anodyne CCNC(=O)N(C)C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000061947118 FB Annotated Anodyne CCNC(=O)N(CC)C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000061947132 FB Annotated Anodyne COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)c2ccccc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947137 FB Annotated Anodyne COC(=O)[C@]1(C)N[C@H](CN(C)C(=O)NC(C)C)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947173 FB Annotated Anodyne CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)COC ZINC000061947196 FB Annotated Anodyne CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)NC1CCNCC1 ZINC000061959252 FB Annotated Anodyne COC(=O)[C@H](CSSCCN(C)C)NC(=O)C1=NNC(=O)CC1 ZINC000618008307 FB Annotated Reactive CO[C@@H]1C[C@@H]2N[C@H](CN(C)CC(=O)NC3CC3)NC(=O)[C@H]2C[C@H]1OC ZINC000618013117 FB Annotated Anodyne CO[C@H]1C[C@H]2C(=O)N[C@@H](CN(C)CC(=O)NC3CC3)N[C@H]2C[C@H]1OC ZINC000618013119 FB Annotated Anodyne CO[C@@H]1C[C@@H]2N[C@H](CN(C)CC(=O)NC3CC3)NC(=O)[C@@H]2C[C@H]1OC ZINC000618013120 FB Annotated Anodyne CO[C@H]1C[C@@H]2C(=O)N[C@@H](CN(C)CC(=O)NC3CC3)N[C@H]2C[C@H]1OC ZINC000618013121 FB Annotated Anodyne Nc1nc(C(=O)N[C@@H]2C[C@H](Br)CNC2=O)ccc1[N+](=O)[O-] ZINC000618014067 FB Annotated Reactive Nc1nc(C(=O)N[C@H]2C[C@H](Br)CNC2=O)ccc1[N+](=O)[O-] ZINC000618014068 FB Annotated Reactive Nc1nc(C(=O)N[C@@H]2C[C@@H](Br)CNC2=O)ccc1[N+](=O)[O-] ZINC000618014069 FB Annotated Reactive Nc1nc(C(=O)N[C@H]2C[C@@H](Br)CNC2=O)ccc1[N+](=O)[O-] ZINC000618014070 FB Annotated Reactive C[C@H]([C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000618014491 FB Annotated Anodyne C[C@H]([C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000618014495 FB Annotated Anodyne C[C@H]([C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000618014496 FB Annotated Anodyne C[C@H]([C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000618014498 FB Annotated Anodyne C[C@@H]1NC(=O)[C@H](C#N)[C@H](C)[C@H]1CCC(=O)NC1CCN(CC(N)=O)CC1 ZINC000618014571 FB Annotated Mild C[C@@H]1NC(=O)[C@H](C#N)[C@@H](C)[C@H]1CCC(=O)NC1CCN(CC(N)=O)CC1 ZINC000618014577 FB Annotated Mild C[C@@H]1NC(=O)[C@H](C#N)[C@@H](C)[C@@H]1CCC(=O)NC1CCN(CC(N)=O)CC1 ZINC000618014578 FB Annotated Mild C[C@@H]1NC(=O)[C@H](C#N)[C@H](C)[C@@H]1CCC(=O)NC1CCN(CC(N)=O)CC1 ZINC000618014579 FB Annotated Mild CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](Cn1cnc(C#N)n1)N2CCC ZINC000618014642 FB Annotated Mild CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](Cn1cnc(C#N)n1)N2CCC ZINC000618014643 FB Annotated Mild CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](Cn1cnc(C#N)n1)N2CCC ZINC000618014644 FB Annotated Mild CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](Cn1cnc(C#N)n1)N2CCC ZINC000618014645 FB Annotated Mild O=C1N[C@H]2CCCN[C@@H]2C(=O)N1CCS(=O)(=O)NCc1ccccc1 ZINC000618015450 FB Annotated Anodyne O=C1N[C@@H]2CCCN[C@@H]2C(=O)N1CCS(=O)(=O)NCc1ccccc1 ZINC000618015452 FB Annotated Anodyne O=C1N[C@H]2CCCN[C@H]2C(=O)N1CCS(=O)(=O)NCc1ccccc1 ZINC000618015453 FB Annotated Anodyne O=C1N[C@@H]2CCCN[C@H]2C(=O)N1CCS(=O)(=O)NCc1ccccc1 ZINC000618015454 FB Annotated Anodyne COc1ccc([C@@H]2CS[C@@H]3N[C@@H](CS(N)(=O)=O)NC(=O)[C@H]32)cc1 ZINC000618015745 FB Annotated Anodyne COc1ccc([C@@H]2CS[C@@H]3N[C@@H](CS(N)(=O)=O)NC(=O)[C@@H]32)cc1 ZINC000618015747 FB Annotated Anodyne COc1ccc([C@@H]2CS[C@@H]3N[C@H](CS(N)(=O)=O)NC(=O)[C@@H]32)cc1 ZINC000618015748 FB Annotated Anodyne COc1ccc([C@@H]2CS[C@@H]3N[C@H](CS(N)(=O)=O)NC(=O)[C@H]32)cc1 ZINC000618015749 FB Annotated Anodyne CC(C)CCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1N1CCC(C(N)=O)CC1 ZINC000618016358 FB Annotated Anodyne CC(C)CCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@@H]1N1CCC(C(N)=O)CC1 ZINC000618016359 FB Annotated Anodyne CC(C)CCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@@H]1N1CCC(C(N)=O)CC1 ZINC000618016360 FB Annotated Anodyne CC(C)CCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1N1CCC(C(N)=O)CC1 ZINC000618016361 FB Annotated Anodyne CCOC(=O)C1CCN(C(=O)[C@@H]2SN[C@@H]3C(=O)N(C)C(=O)N[C@@H]32)CC1 ZINC000618016427 FB Annotated Anodyne CCOC(=O)C1CCN(C(=O)[C@@H]2SN[C@H]3C(=O)N(C)C(=O)N[C@H]32)CC1 ZINC000618016428 FB Annotated Anodyne CCOC(=O)C1CCN(C(=O)[C@@H]2SN[C@H]3C(=O)N(C)C(=O)N[C@@H]32)CC1 ZINC000618016429 FB Annotated Anodyne CCOC(=O)C1CCN(C(=O)[C@@H]2SN[C@@H]3C(=O)N(C)C(=O)N[C@H]32)CC1 ZINC000618016430 FB Annotated Anodyne O=[N+]([O-])c1ccc(C2=NO[C@]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)S2)cc1 ZINC000062178891 FB Annotated Bother Cc1c(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000062237810 FB Annotated Bother in-vitro Cc1c(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000062237813 FB Annotated Bother in-vitro Cc1c(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000062237816 FB Annotated Bother in-vitro Cc1c(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000062237821 FB Annotated Bother in-vitro Cc1c([N+](=O)[O-])cc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-] ZINC000062237848 FB Annotated Bother in-vitro Cc1c([N+](=O)[O-])cc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-] ZINC000062237852 FB Annotated Bother in-vitro Cc1c([N+](=O)[O-])cc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-] ZINC000062237855 FB Annotated Bother in-vitro Cc1c([N+](=O)[O-])cc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-] ZINC000062237858 FB Annotated Bother in-vitro CC[C@H]1O[C@@H](NC(=S)N/N=C/c2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064437120 FB Annotated Mild Cc1nc2c(c3c1C(=O)C(N1CCOCC1)=CC3=O)c(=O)n(C)c(=O)n2C ZINC000064446610 FB Annotated Mild CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064446877 FB Annotated Mild CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccc(OC)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064446879 FB Annotated Mild CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064447309 FB Annotated Mild CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccccc2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064447559 FB Annotated Mild Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)C(N1CCOCC1)=CC3=O ZINC000064453548 FB Annotated Mild COc1cc(O)c([C@@H](CO)[C@H](O)CO)c2oc(=O)c3c(c12)COC3=O ZINC000064633375 FB Annotated Anodyne in-vitro COc1cc(O)c([C@H](CO)[C@H](O)CO)c2oc(=O)c3c(c12)COC3=O ZINC000064633377 FB Annotated Anodyne in-vitro COc1cc(O)c([C@@H](CO)[C@@H](O)CO)c2oc(=O)c3c(c12)COC3=O ZINC000064633379 FB Annotated Anodyne in-vitro COc1cc(O)c([C@H](CO)[C@@H](O)CO)c2oc(=O)c3c(c12)COC3=O ZINC000064633380 FB Annotated Anodyne in-vitro CO[C@H]1[C@H](O)C[C@@H](O[C@H]2[C@H](OC)[C@H](O)O[C@@H](C)[C@H]2OC(C)=O)O[C@@H]1C ZINC000064633775 FB Annotated Anodyne in-vitro COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1Cc1cc(F)ccc1F ZINC000064732199 FB Annotated Anodyne NC1=C(N2CCOCC2)C(=O)NC2=N/C(=C\c3ccccc3O)C(=O)N21 ZINC000006513755 FB Annotated Anodyne Cc1ccc(N2C(=O)C(=O)N(NC3=c4ccccc4=NC3=O)C2=S)cc1 ZINC000006522534 FB Annotated Anodyne CO[C@@H]1O[C@@H]2[C@H](O)CN3C(=O)[C@H](OS(=O)(=O)c4ccc(C)cc4)[C@H]1[C@H]23 ZINC000006522644 FB Annotated Mild CCCCS(=O)(=O)N1CN(S(=O)(=O)CCCC)[C@H]2NC(=O)N[C@H]21 ZINC000006576652 FB Annotated Anodyne Cc1ccc(S(=O)(=O)n2nc(C(=O)N3CCOCC3)nc2N)cc1 ZINC000006732636 FB Annotated Anodyne CS(=O)(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCCOc2ccccc2)C1 ZINC000065398975 FB Annotated Anodyne Cc1cccnc1CCNC(=O)[C@@]12CNC[C@@H]1CN(S(C)(=O)=O)C2 ZINC000065404281 FB Annotated Anodyne N#CC1=C(N)N2CCNC2=C([N+](=O)[O-])[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000653689392 FB Annotated Reactive N#CC1=C(N)N2CCNC2=C([N+](=O)[O-])[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000653689393 FB Annotated Reactive OC[C@H]1O[C@@]2(CC(c3ccc4cc(O)ccc4c3)=NO2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000653698625 FB Annotated Anodyne OC[C@H]1O[C@@]2(CC(c3nc4ccccc4s3)=NO2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000653700271 FB Annotated Anodyne Oc1ccc2cc1-c1cc(ccc1O)C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C2 ZINC000653700781 FB Annotated Anodyne Oc1ccc2cc1-c1cc(ccc1O)C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C2 ZINC000653700782 FB Annotated Anodyne O=C(NC12CC3CC(CC(C3)C1)C2)ONC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000653725533 FB Annotated Mild O=C(Nc1cccc2ccccc12)ONC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000653727852 FB Annotated Mild CSc1ccc(NC(=O)ONC2=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000653729222 FB Annotated Mild N=c1ccn(CCC(=O)NN=C2C[C@H](C(=O)O)[C@H](C(=O)O)C2)c(O)n1 ZINC000653790480 FB Annotated Reactive O=C(CCn1ccc(O)nc1=O)NN=C1C[C@H](C(=O)O)[C@H](C(=O)O)C1 ZINC000653790529 FB Annotated Reactive O=C(CCn1ccc(O)nc1=O)NN=C1C[C@@H](C(=O)O)[C@H](C(=O)O)C1 ZINC000653790530 FB Annotated Reactive Cc1cn(CCC(=O)NN=C2C[C@H](C(=O)O)[C@H](C(=O)O)C2)c(=O)nc1O ZINC000653791859 FB Annotated Reactive Cc1cn(CCC(=O)NN=C2C[C@@H](C(=O)O)[C@H](C(=O)O)C2)c(=O)nc1O ZINC000653791861 FB Annotated Reactive N=c1ccn(CCC(=O)NN=C2C[C@@H](C(=O)O)[C@H](C(=O)O)C2)c(O)n1 ZINC000653794502 FB Annotated Reactive O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nnc3nncn3n2)CC1 ZINC000653827930 FB Annotated Bother O=C(C=C1CCC(C(F)(F)F)CC1)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000653859687 FB Annotated Anodyne O=C(C=C1CCC(C(F)(F)F)CC1)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000653859688 FB Annotated Anodyne COC(=O)[C@@H](NC(=O)CNc1nc(NC(C)=O)[nH]c2ncnc1-2)C(C)C ZINC000653878517 FB Annotated Anodyne COC(=O)CC[C@H](NC(=O)CNc1nc[nH]c2ncnc1-2)C(=O)OC ZINC000653905752 FB Annotated Anodyne CC(=O)N[C@@H](CS[C@@H]1[C@@H](C)C[C@H]2CC[C@H]3OC(=O)[C@H]1[C@@]23O)C(N)=O ZINC000653913882 FB Annotated Anodyne CC(=O)N[C@@H](CS[C@@H]1[C@@H](C)C[C@H]2CC[C@H]3OC(=O)[C@@H]1[C@@]23O)C(N)=O ZINC000653913883 FB Annotated Anodyne CC1(C)S[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)S1 ZINC000066074917 FB Annotated Anodyne CC1(C)S[C@@H](C(=O)O)[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)S1 ZINC000066074919 FB Annotated Anodyne CC1(C)S[C@H](C(=O)O)[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)S1 ZINC000066074920 FB Annotated Anodyne CC1(C)S[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C(=O)O)S1 ZINC000066074921 FB Annotated Anodyne CC(=O)N[C@H]1[C@H](SC(=S)N2CCCC2)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000066097641 FB Annotated Anodyne COc1ccc(-c2n[nH]nc2-c2nc(C(N)=O)nn2COCCO)cc1 ZINC000066251429 FB Annotated Anodyne Nc1ccn([C@@H]2O[C@H](CN3CCn4nccc4C3)[C@@H](O)C2(F)F)c(=O)n1 ZINC000068249609 FB Annotated Anodyne C[C@H]1[C@@H](C)[C@](C)(O)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(O)CO)[C@H]23 ZINC000070454097 FB Annotated Anodyne in-vitro biogenic C=C1C[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 ZINC000070454926 FB Annotated Mild in-vitro biogenic CC1(C)C[C@]2(O)CC[C@](C)(O1)[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2 ZINC000070455160 FB Annotated Anodyne in-vitro biogenic Cc1nccn1-c1cc(N2CCC(CNS(N)(=O)=O)CC2)ncn1 ZINC000071295674 FB Annotated Anodyne COC(=O)CNC(=O)[C@@H]1N(CCCCCO)C(=O)C2=C(C)[C@H]3C=C[C@]21O3 ZINC000071340802 FB Annotated Anodyne COC(=O)CNC(=O)[C@H]1N(CCCCCO)C(=O)C2=C(C)[C@H]3C=C[C@]21O3 ZINC000071340817 FB Annotated Anodyne O=S1(=O)C[C@@H](N2CCN(CCO)CC2)[C@@H](COCc2ccccc2)N1 ZINC000072104372 FB Annotated Anodyne O=S1(=O)C[C@@H](N2CCN(CCO)CC2)[C@H](COCc2ccccc2)N1 ZINC000072104373 FB Annotated Anodyne O=S1(=O)C[C@H](N2CCN(CCO)CC2)[C@@H](COCc2ccccc2)N1 ZINC000072104374 FB Annotated Anodyne O=S1(=O)C[C@H](N2CCN(CCO)CC2)[C@H](COCc2ccccc2)N1 ZINC000072104375 FB Annotated Anodyne NC(=O)c1c(CSCC(=O)Oc2ccccc2C(=O)O)no[n+]1[O-] ZINC000072118121 FB Annotated Anodyne O[C@@H](C1=N[C@@H]2C=CC=CC2=N1)[C@H](O)[C@H](O)[C@H](O)C1=N[C@@H]2C=CC=CC2=N1 ZINC000072121351 FB Annotated Anodyne O[C@@H]([C@H](O)C1=N[C@@H]2C=CC=CC2=N1)[C@H](O)[C@H](O)C1=N[C@@H]2C=CC=CC2=N1 ZINC000072121353 FB Annotated Anodyne C[C@H](Cn1cnnn1)n1nnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O ZINC000072127807 FB Annotated Anodyne C[C@H](Cn1cnnn1)n1nnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O ZINC000072127808 FB Annotated Anodyne C[C@H](Cn1ncnn1)n1nnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O ZINC000072127809 FB Annotated Anodyne C[C@H](Cn1ncnn1)n1nnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O ZINC000072127810 FB Annotated Anodyne C[C@H](Cn1cnnn1)n1nnc2cc3c(cc2c1=O)OCN(C1CC1)C3=O ZINC000072128529 FB Annotated Anodyne C[C@H](Cn1ncnn1)n1nnc2cc3c(cc2c1=O)OCN(C1CC1)C3=O ZINC000072128530 FB Annotated Anodyne CN1CCN(C2=S=Nn3c2nc2ccc(S(N)(=O)=O)cc23)CC1 ZINC000072168385 FB Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@H](O)C[C@H]2N1Cc1ccc(C)s1 ZINC000072187696 FB Annotated Anodyne Cc1nc(C(=O)NNC(=O)[C@@H](N)CC(N)=O)cc2c1[nH]c1ccccc12 ZINC000073141241 FB Annotated Reactive CCn1nnc2cc3c(=O)n([C@H](C)Cn4ncnn4)nnc3cc2c1=O ZINC000073158147 FB Annotated Bother CC(C)n1nnc2cc3c(=O)n([C@H](C)Cn4ncnn4)nnc3cc2c1=O ZINC000073158148 FB Annotated Bother C[C@H](Cn1ncnn1)n1cnc2cc3c(=O)n(CCF)nnc3cc2c1=O ZINC000073164826 FB Annotated Bother Cc1c(C(=O)C/C(=N/NC(=O)CC#N)C(N)=O)[n+](=O)c2ccccc2n1O ZINC000073242789 FB Annotated Reactive O=C(NCCC(F)([N+](=O)[O-])[N+](=O)[O-])NCCC(F)([N+](=O)[O-])[N+](=O)[O-] ZINC000073277784 FB Annotated Bother COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3[C@H](CN21)N3C ZINC000073400061 FB Annotated Mild CC1(C)O[C@H]2O[C@@H]([C@H](O)CON3C(=O)c4ccccc4C3=O)[C@H](O)[C@H]2O1 ZINC000007998530 FB Annotated Anodyne CCOC(=O)CCN1C(=O)[C@@H]2[C@@H](CC[C@@H]3C(=O)C[C@@H](O)[C@@H](O)[C@H]32)C1=O ZINC000007998732 FB Annotated Anodyne Cn1nccc1C(=O)N1CCN(C(=O)C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000077320505 FB Annotated Anodyne CCN1CCN(S(=O)(=O)N2CCCCCC2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000077540696 FB Annotated Anodyne C1CN(CN2c3nonc3N(CN3CCOCC3)c3nonc32)CCO1 ZINC000082053351 FB Annotated Anodyne CCc1nc(C(=O)N[C@@H](C)C(=O)OCCN(CCN)CCO)cs1 ZINC000082070519 FB Annotated Anodyne CCc1nc(C(=O)N[C@H](C)C(=O)OCCN(CCN)CCO)cs1 ZINC000082070520 FB Annotated Anodyne CCc1nc(C(=O)NCC(=O)OCCOCCN2CCNCC2)cs1 ZINC000082072162 FB Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)OCCN(CCN)CCO)cs1 ZINC000082073756 FB Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)CCN2 ZINC000082204645 FB Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)CCN2 ZINC000082204826 FB Annotated Anodyne COCCn1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205508 FB Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206755 FB Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206757 FB Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206761 FB Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206763 FB Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@@H](CC)N2 ZINC000082208247 FB Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@H](CC)N2 ZINC000082208249 FB Annotated Anodyne COCCn1c(=O)c(NC(=O)CN)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210349 FB Annotated Anodyne COCCn1c(=O)c(NC(=O)CN)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210352 FB Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CN)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210495 FB Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CN)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210497 FB Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@H](C)CN2 ZINC000082212447 FB Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@@H](C)CN2 ZINC000082212449 FB Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@H](C)CN2 ZINC000082212461 FB Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212463 FB Annotated Anodyne CCOC(=O)Cc1nc2nc(N(C[C@@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O ZINC000082231413 FB Annotated Anodyne CCOC(=O)Cc1nc2nc(N(C[C@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O ZINC000082231414 FB Annotated Anodyne O=C(O)CCOCC(CO)(COCCC(=O)O)COCCC(=O)O ZINC000083254065 FB Annotated Anodyne CC(C)C[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](N2CCC[C@H]2C(N)=O)C1 ZINC000084654467 FB Annotated Anodyne CC(C)C[C@H](N)C(=O)NCC(=O)N1CCC[C@H](N2CCC[C@H]2C(N)=O)C1 ZINC000084714771 FB Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1C/C=C/c1ccccc1 ZINC000008679960 FB Annotated Anodyne C[C@H](O)[C@H]1OC(=O)C=C2[C@]3(C)[C@@H]4[C@H](OC(=O)[C@@]4(C)[C@@H](O)[C@@H]4O[C@@H]43)[C@H]3O[C@]213 ZINC000085509006 FB Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1C(=O)[C@@]3(O)[C@@H]2O ZINC000085540920 FB Annotated Mild in-vitro biogenic C[C@H](O)[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@]215)[C@H]34 ZINC000085557028 FB Annotated Anodyne C[C@@H](O)[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 ZINC000085557033 FB Annotated Anodyne CC(C)Cc1ccc2ncc(OC(=O)[C@@H]3O[C@@](O)(CO)[C@H](O)[C@H]3O)[c-]2c1 ZINC000085569289 FB Annotated Anodyne in-vitro biogenic O=C(Oc1cnc2cccc[c-]12)[C@@H]1O[C@@](O)(C2(O)CCCC2)[C@H](O)[C@H]1O ZINC000085569292 FB Annotated Anodyne in-vitro biogenic O=C(Oc1cnc2cccc[c-]12)[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1OCCCO ZINC000085569295 FB Annotated Anodyne in-vitro biogenic C=CCc1ccc(O[C@H]2O[C@H]([C@@H](O)CCCO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000085592246 FB Annotated Mild in-vitro biogenic O=C(CCCCO)CCCC[C@@H](O)[C@@H]1CC[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N12 ZINC000085648145 FB Annotated Anodyne C=C1C[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 ZINC000085800094 FB Annotated Mild in-man C=C1C[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 ZINC000085800096 FB Annotated Mild in-man CC(=O)OC[C@H]1O[C@@H](O[C@@H](C#N)c2cccc(O)c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085860383 FB Annotated Mild in-man CC(=O)OC[C@@H]1O[C@@H](O[C@@H](C#N)c2cccc(O)c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085860387 FB Annotated Mild in-man CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@H](C)O)C(C)(C)O)[C@@H]12 ZINC000085977070 FB Annotated Anodyne CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)([C@@H](C)O)C(C)(C)O)[C@@H]12 ZINC000085977074 FB Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)C1=C(C2=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]1O ZINC000086039252 FB Annotated Mild CS(=O)(=O)CCN1C[C@H](C2CC2)[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC000091391473 FB Annotated Anodyne CN1CCN(Cc2nnc(C3CCN(C(CO)CO)CC3)n2C)CC1 ZINC000091440367 FB Annotated Anodyne CCCn1cc(S(=O)(=O)N[C@H]2CN(CC(N)=O)C[C@@H]2C2CC2)cn1 ZINC000092098295 FB Annotated Anodyne CO[C@H]1C[C@@H]([C@H]2O[C@@H]3[C@@H](C(=O)[C@H]2OC)[C@H](O)C[C@H](O)[C@H]3OC)CC[C@@H]1O ZINC000095099335 FB Annotated Anodyne in-vitro biogenic C=C[C@]12COC(=O)C[C@H]1[C@@H]1OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(=C)CO)[C@@H]2O ZINC000095486101 FB Annotated Mild in-vitro biogenic C=C[C@]12COC(=O)C(=C)[C@H]1[C@@H]1OC(=O)C[C@H]1[C@H](OC(=O)CCO)[C@@H]2O ZINC000095486102 FB Annotated Mild in-vitro biogenic C(=N\NC1=NCCCN1)\c1ccc2nc(/C=N\NC3=NCCCN3)cn2c1 ZINC000095544191 FB Annotated Mild C(=N\NC1=NCCCN1)\c1ccc2nc(/C=N/NC3=NCCCN3)cn2c1 ZINC000095544193 FB Annotated Mild CCN(C)[C@@H]1CN(Cc2cn(CCCC(=O)OC)nn2)S(=O)(=O)C1 ZINC000095571099 FB Annotated Anodyne CCN(C)[C@H]1CN(Cc2cn(CCCC(=O)OC)nn2)S(=O)(=O)C1 ZINC000095571100 FB Annotated Anodyne CS(=O)(=O)N1CCN(c2n[n+](=O)c3cc4c(cc3n2O)CCC4)CC1 ZINC000095580024 FB Annotated Anodyne CC(C)C[C@H](NC(=O)[C@]1(C(F)(F)F)CCCN1)C(=O)NCC(N)=O ZINC000095592128 FB Annotated Anodyne Cc1ccc(S(=O)(=O)NCCn2nnc(C(=O)O)c2C(=O)O)cc1 ZINC000095593073 FB Annotated Anodyne CC1=CC(=O)[C@]2(O)[C@@]3(O)C(=O)[C@@H]4[C@@]5(CO)[C@H]6C[C@]1([C@]3(C)[C@@H]5CC(=O)O6)[C@@]42C ZINC000095593940 FB Annotated Mild O=C(CN1C(=O)N/C(=C\c2ccccc2)C1=O)N1CCN(CCO)CC1 ZINC000095595219 FB Annotated Anodyne COc1ccc(/C=C2\NC(=O)N(C[C@H](O)CN3CCNCC3)C2=O)cc1 ZINC000095596472 FB Annotated Anodyne COc1ccc(/C=C2\NC(=O)N(C[C@@H](O)CN3CCNCC3)C2=O)cc1 ZINC000095596473 FB Annotated Anodyne COC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C ZINC000095597728 FB Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C ZINC000095597730 FB Annotated Anodyne O=S1(=O)C[C@@H](N2CCN(CCO)CC2)CN1Cc1ccc(F)cc1 ZINC000095600427 FB Annotated Anodyne O=S1(=O)C[C@H](N2CCN(CCO)CC2)CN1Cc1ccc(F)cc1 ZINC000095600428 FB Annotated Anodyne COC(=O)[C@@H](O)[C@@H](O[C@H](C#N)c1ccccc1)O[C@H](CO)C(=O)OC ZINC000095619368 FB Annotated Mild in-man COC(=O)[C@H](CO)O[C@H](O[C@H](C#N)c1ccccc1)[C@H](O)C(=O)OC ZINC000095619369 FB Annotated Mild in-man COC(=O)[C@H](CO)O[C@@H](O[C@H](C#N)c1ccccc1)[C@H](O)C(=O)OC ZINC000095619370 FB Annotated Mild in-man CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CN1CCOCC1)C2 ZINC000095664149 FB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCn2cc(CN(C)C)nn2)O[C@H]1CO ZINC000095665313 FB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCn2cc(CN(C)C)nn2)O[C@H]1CO ZINC000095665314 FB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCn2cc(CN(C)C)nn2)O[C@@H]1CO ZINC000095665315 FB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCn2cc(CN(C)C)nn2)O[C@H]1CO ZINC000095665317 FB Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCn2cc(CN(C)C)nn2)O[C@@H]1CO ZINC000095665319 FB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCn2cc(CN(C)C)nn2)O[C@@H]1CO ZINC000095665322 FB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCn2cc(CN(C)C)nn2)O[C@@H]1CO ZINC000095665324 FB Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095676004 FB Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095676005 FB Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095676006 FB Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095676007 FB Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095676008 FB Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095676009 FB Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095676010 FB Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095676011 FB Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095676237 FB Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095676238 FB Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095676239 FB Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095676240 FB Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095676241 FB Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095676242 FB Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CC(=O)N2CCN(C)CC2)O[C@H]1CO ZINC000095676243 FB Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO ZINC000095676244 FB Annotated Anodyne CCS(=O)(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccccn2)O[C@H]1CO ZINC000095677771 FB Annotated Anodyne CCS(=O)(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccccn2)O[C@@H]1CO ZINC000095677772 FB Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccccn1 ZINC000095678089 FB Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccccn1 ZINC000095678090 FB Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccccn1 ZINC000095678091 FB Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccccn1 ZINC000095678092 FB Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccccn1 ZINC000095678093 FB Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccccn1 ZINC000095678094 FB Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccccn1 ZINC000095678095 FB Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccccn1 ZINC000095678096 FB Annotated Anodyne CCS(=O)(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccccn2)O[C@@H]1CO ZINC000095794210 FB Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2S(C)(=O)=O ZINC000095794512 FB Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2S(C)(=O)=O ZINC000095794513 FB Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2S(C)(=O)=O ZINC000095794633 FB Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)CN1CCOCC1)C2 ZINC000095794683 FB Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CN1CCOCC1)C2 ZINC000095794684 FB Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1 ZINC000095885905 FB Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccn2)O1 ZINC000095885906 FB Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccn2)O1 ZINC000095885907 FB Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1 ZINC000095885908 FB Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccn2)O1 ZINC000095885909 FB Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1 ZINC000095885910 FB Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccn2)O1 ZINC000095885911 FB Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccn2)O1 ZINC000095885912 FB Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCCN1CCCCC1 ZINC000095887694 FB Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCCN1CCCCC1 ZINC000095887695 FB Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NCCN1CCCCC1 ZINC000095887696 FB Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCCN1CCCCC1 ZINC000095887697 FB Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCCN1CCCCC1 ZINC000095887698 FB Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCCN1CCCCC1 ZINC000095887699 FB Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCCN1CCCCC1 ZINC000095887700 FB Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCCN1CCCCC1 ZINC000095887701 FB Annotated Anodyne CC(=O)N1[C@H](CNC(=O)CN2CCOCC2)[C@H](c2ccccc2)[C@@H]1CO ZINC000095895022 FB Annotated Anodyne CC(=O)N1[C@H](CNC(=O)CN2CCOCC2)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095895023 FB Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)CN1CCOCC1 ZINC000095895815 FB Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)CN1CCOCC1 ZINC000095895816 FB Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)CN1CCOCC1 ZINC000095895817 FB Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CNC(=O)CN1CCOCC1 ZINC000095895818 FB Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)CN1CCOCC1 ZINC000095895819 FB Annotated Anodyne CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)CN1CCOCC1 ZINC000095895820 FB Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCC1 ZINC000095903743 FB Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCC1 ZINC000095903744 FB Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCC1 ZINC000095903745 FB Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCC1 ZINC000095903746 FB Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCC1 ZINC000095903747 FB Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCC1 ZINC000095903748 FB Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCC1 ZINC000095903749 FB Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCC1 ZINC000095903750 FB Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCC1 ZINC000095903761 FB Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCC1 ZINC000095903762 FB Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCC1 ZINC000095903763 FB Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCC1 ZINC000095903764 FB Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCC1 ZINC000095903765 FB Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCC1 ZINC000095903767 FB Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)NC1CCC1 ZINC000095903769 FB Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](CO)O1)NC1CCC1 ZINC000095903770 FB Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCn2cc(CN(C)C)nn2)O[C@H]1CO ZINC000095905074 FB Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccccn1 ZINC000095905856 FB Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccccn1 ZINC000095905857 FB Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccccn1 ZINC000095905858 FB Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccccn1 ZINC000095905859 FB Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccccn1 ZINC000095905860 FB Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccccn1 ZINC000095905861 FB Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO)c1ccccn1 ZINC000095905862 FB Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO)c1ccccn1 ZINC000095905863 FB Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@H](CC(=O)NCCN2CCCC2)O[C@@H]1CO ZINC000095907600 FB Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCN2CCCC2)O[C@H]1CO ZINC000095907601 FB Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCN2CCCC2)O[C@H]1CO ZINC000095907602 FB Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCN2CCCC2)O[C@@H]1CO ZINC000095907603 FB Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCN2CCCC2)O[C@H]1CO ZINC000095907604 FB Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCN2CCCC2)O[C@@H]1CO ZINC000095907605 FB Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@H](CC(=O)NCCN2CCCC2)O[C@H]1CO ZINC000095907606 FB Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCN2CCCC2)O[C@@H]1CO ZINC000095907607 FB Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095908222 FB Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095908223 FB Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095908224 FB Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095908225 FB Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095908226 FB Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095908227 FB Annotated Anodyne CC(C)NC(=O)N[C@H]1C=C[C@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095908228 FB Annotated Anodyne CC(C)NC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095908229 FB Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](O[C@@H](C#N)c2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095909269 FB Annotated Mild in-vitro 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]41)[C@H](O)[C@H]23 ZINC000095910051 FB Annotated Mild in-vitro biogenic C[C@@H]1C[C@@H](O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@H]23 ZINC000095910583 FB Annotated Anodyne in-vitro biogenic C[C@H]1C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000095911456 FB Annotated Anodyne in-vitro biogenic CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1[C@@H](O)[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@]31C ZINC000095913310 FB Annotated Mild in-vitro biogenic CC(=O)O[C@H]1[C@H](O[C@]2(C)CC=C(C(C)C)C[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000095913490 FB Annotated Anodyne in-vitro biogenic CC(=O)OC[C@H]1O[C@@H](O[C@]2(C)CC=C(C(C)C)C[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095913491 FB Annotated Anodyne in-vitro biogenic CC(C)[C@@H]1OC(=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 ZINC000095913813 FB Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1[C@H](O)[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000095914848 FB Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@@H](O)CCC(C)(C)[C@H]1C(=O)[C@@]3(O)[C@H]2O ZINC000095914891 FB Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1C(=O)[C@@]3(O)[C@H]2O ZINC000095918986 FB Annotated Mild in-vitro biogenic COC(=O)CCCn1cc(CN2C[C@H](N3CCCC3)CS2(=O)=O)nn1 ZINC000096020805 FB Annotated Anodyne COC(=O)CCCn1cc(CN2C[C@@H](N3CCCC3)CS2(=O)=O)nn1 ZINC000096020806 FB Annotated Anodyne COCCCn1cc(CN2C[C@@H](N3CCN(C)CC3)CS2(=O)=O)nn1 ZINC000096020936 FB Annotated Anodyne COCCCn1cc(CN2C[C@H](N3CCN(C)CC3)CS2(=O)=O)nn1 ZINC000096020937 FB Annotated Anodyne O=S1(=O)C[C@@H](N2CCN(CCO)CC2)CN1CCc1ccccc1 ZINC000096021084 FB Annotated Anodyne O=S1(=O)C[C@H](N2CCN(CCO)CC2)CN1CCc1ccccc1 ZINC000096021085 FB Annotated Anodyne CN(C)C(=O)CN1C[C@H]2CCN(C(=O)[C@@H]3CCCO3)CC[C@H]2S1(=O)=O ZINC000096062656 FB Annotated Anodyne CN(C)C(=O)CN1C[C@H]2CCN(C(=O)[C@H]3CCCO3)CC[C@H]2S1(=O)=O ZINC000096062657 FB Annotated Anodyne CC(C)CS(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCN(C)CC2)C1 ZINC000096083624 FB Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@H]23 ZINC000096085511 FB Annotated Mild in-vitro CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@@H]41)[C@H](O)[C@H]23 ZINC000096085512 FB Annotated Anodyne in-vitro Nc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)n1 ZINC000096168627 FB Annotated Mild NCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)nc1 ZINC000096168630 FB Annotated Mild N#Cc1cn(-c2c[nH]n(-c3cc(N4CCCOCC4)ncn3)c2=O)nn1 ZINC000096176111 FB Annotated Mild CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3cscn3)C[C@@H]2N1S(C)(=O)=O ZINC000096182863 FB Annotated Anodyne COCC(=O)NCc1cc(=O)n2c(n1)CN(C[C@@H]1CCOC1)CCC2 ZINC000096197632 FB Annotated Anodyne COCC(=O)NCc1cc(=O)n2c(n1)CN(C[C@H]1CCOC1)CCC2 ZINC000096197633 FB Annotated Anodyne CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ncccn2)c1=O ZINC000096284196 FB Annotated Mild C[C@H](N)C(=O)OC[C@@H]1S[C@H](CC=O)S[C@@H]1COC(=O)[C@H](C)N ZINC000096889920 FB Annotated Mild CCOC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1CCCC[C@@H]1C ZINC000096902632 FB Annotated Anodyne CCOC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@H]1CCCC[C@@H]1C ZINC000096902634 FB Annotated Anodyne CC(C)(C)c1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](F)[C@@H]2O)nn1 ZINC000096906516 FB Annotated Anodyne CCCCc1cn([C@]2(CO)O[C@@H](n3ccc(N)nc3=O)[C@@H](F)[C@@H]2O)nn1 ZINC000096906517 FB Annotated Anodyne O=C(c1cnc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)s1)C(F)(F)F ZINC000096908975 FB Annotated Anodyne O=C(c1ccsc1)c1cnc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)s1 ZINC000096908981 FB Annotated Anodyne CN(CCn1nnc2c(C(N)=O)ncn2c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000096910813 FB Annotated Bother Cc1ccc(N(C)CCn2nnc3c(C(N)=O)ncn3c2=O)cc1[N+](=O)[O-] ZINC000096910816 FB Annotated Bother CC(=O)O[C@@H]1C(=O)O[C@@]2(C)[C@H]3C[C@]4(C)[C@@H](CO[C@@H]5O[C@]12[C@H]4C5=O)C(=O)O3 ZINC000096921440 FB Annotated Anodyne N#Cc1c(N)nc2c(C#N)c(N3CCOCC3)nn2c1N1CCOCC1 ZINC000096928788 FB Annotated Mild COc1ccc(/C=N/NC(=O)c2cc(=O)[nH]c3[nH]c(=O)[nH]c(=O)c23)cc1 ZINC000098083972 FB Annotated Reactive O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12 ZINC000098083973 FB Annotated Reactive O=C(NNC(=S)Nc1ccccc1)c1cc(=O)[nH]c2[nH]c(=O)[nH]c(=O)c12 ZINC000098085760 FB Annotated Reactive