COC(=O)C1=NNC[C@]12CC(=O)N(c1ccc(Br)cc1)C2=O ZINC000001015218 FC Annotated Anodyne COC(=O)C1=NNC[C@@]12CC(=O)N(c1ccc(Br)cc1)C2=O ZINC000001015219 FC Annotated Anodyne CC1=C(C(=O)O[C@@H]2CCCN(C)C2)[C@@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 ZINC000001043997 FC Annotated Anodyne O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)NCc1ccccc1 ZINC000001350680 FC Annotated Anodyne O=C(CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NO ZINC000010450346 FC Annotated Mild CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2[S@H]1O ZINC000100036853 FC Annotated Anodyne in-vitro C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@@]3(O)[C@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000100067641 FC Annotated Mild CC(C)(Oc1ccc(C#N)cn1)C(=O)N[C@H]1[C@@H]2COC[C@@H]1C[C@H](C(N)=O)C2 ZINC000100075690 FC Annotated Mild CC(C)(Oc1ccc(C#N)cn1)C(=O)N[C@H]1[C@H]2COC[C@@H]1C[C@H](C(N)=O)C2 ZINC000100075692 FC Annotated Mild CC(C)(Oc1ccc(C#N)cn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1C[C@@H](C(N)=O)C2 ZINC000100075695 FC Annotated Mild CC(C)(Oc1ccc(C#N)cn1)C(=O)N[C@H]1[C@H]2COC[C@H]1C[C@H](C(N)=O)C2 ZINC000100075700 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H]4O[C@H]5O[C@@]2(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]52[C@H]3[C@@H](O)C[C@@H]14 ZINC000100076826 FC Annotated Mild in-vitro biogenic CCOC(=O)[C@@H](C(=O)O)N1C=CC(C(=O)N/N=C/c2ccccc2O)C=C1 ZINC000100086947 FC Annotated Reactive CCOC(=O)[C@H](C(=O)O)N1C=CC(C(=O)N/N=C/c2ccccc2O)C=C1 ZINC000100086952 FC Annotated Reactive CN(C)c1ccc(/C=N/NC(=O)C2C=CN(C(C(=O)O)C(=O)O)C=C2)cc1 ZINC000100086979 FC Annotated Reactive C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)N(C(=O)CC)[C@@H]21 ZINC000100099896 FC Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC)[C@@H](C(=O)N(C)C)[C@@H]1CO ZINC000100100065 FC Annotated Anodyne Cc1c(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000100120779 FC Annotated Anodyne Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000100120782 FC Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)[C@@H]2N1C(C)=O ZINC000100140760 FC Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC)[C@H]2N1C(C)=O ZINC000100140762 FC Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1C(=O)CC ZINC000100142245 FC Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1C(=O)CC ZINC000100142247 FC Annotated Anodyne C[C@]12C(=O)O[C@]3(CC[C@@H]1O)[C@@H]1CC[C@@H]4C[C@]1(C[C@]4(O)CO)[C@@H](C(=O)O)[C@H]23 ZINC000100191587 FC Annotated Anodyne in-vitro C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000100195981 FC Annotated Mild in-vitro O=C(O)C1=C/C(=C/C=N\[C@@H](Cc2ccc(O)cc2)C(=O)O)C[C@@H](C(=O)O)N1 ZINC000100204778 FC Annotated Mild in-vitro Cn1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2ccccc2)n1 ZINC000100297524 FC Annotated Anodyne Cn1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2ccccc2)n1 ZINC000100297530 FC Annotated Anodyne Cn1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2ccccc2)n1 ZINC000100297535 FC Annotated Anodyne Cn1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2ccccc2)n1 ZINC000100297542 FC Annotated Anodyne Cc1c(O)c2cc(O)c3c(=O)c4c(O)cccc4c(=O)c3c2c(=O)c1=O ZINC000100305302 FC Annotated Bother in-vitro O=C(O)C1=C/C(=C/C=N/[C@@H](Cc2ccc(O)cc2)C(=O)O)C[C@H](C(=O)O)N1 ZINC000100364294 FC Annotated Mild in-man endogenous O=C(O)C1=C/C(=C/C=N/[C@H](Cc2ccc(O)cc2)C(=O)O)C[C@H](C(=O)O)N1 ZINC000100364298 FC Annotated Mild in-man endogenous Cn1c(=O)c2c(ncn2CCCNC2=CC(C)(C)CC(=O)C2)n(C)c1=O ZINC000100479731 FC Annotated Anodyne COc1ccccc1OC1=CNN/C1=C1\C=CC(OCC(=O)NN)=CC1=O ZINC000100493509 FC Annotated Reactive O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NC[C@H]1COc2ccccc2O1 ZINC000100506336 FC Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NC[C@@H]1COc2ccccc2O1 ZINC000100506339 FC Annotated Anodyne O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC[C@H]1COc2ccccc2O1 ZINC000100506921 FC Annotated Anodyne O=C1C=C(O)/C(=C/NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)C=C1[N+](=O)[O-] ZINC000100566273 FC Annotated Mild O=C1C=C(O)/C(=C/NN2C(=O)[C@@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)C=C1[N+](=O)[O-] ZINC000100566275 FC Annotated Mild Nc1ccc2c(CNCCNCCO)nn3c4ccccc4c(=O)c1c23 ZINC000100720760 FC Annotated Bother NCCNCc1nn2c3cccc(O)c3c(=O)c3c(NCCN)ccc1c32 ZINC000100754801 FC Annotated Bother C=C[C@]1(C)C=C2[C@H](O)[C@]3(O)OC[C@@]4(CCCC(C)(C)[C@]34O)[C@@]2(O)[C@H](O)C1 ZINC000100771365 FC Annotated Mild C=C[C@]1(C)C=C2[C@@H](O)[C@]3(O)OC[C@@]4(CCCC(C)(C)[C@]34O)[C@@]2(O)[C@H](O)C1 ZINC000100771367 FC Annotated Mild C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100775017 FC Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H]4O[C@@H]4[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100775019 FC Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12OC(=O)[C@](C)([C@@H]1[C@H]3C(=O)O)[C@H]1O[C@@H]1[C@H]2O ZINC000100775021 FC Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12OC(=O)[C@@](C)([C@@H]1[C@H]3C(=O)O)[C@H]1O[C@@H]1[C@H]2O ZINC000100775024 FC Annotated Mild in-man endogenous O=C1C[C@H](C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(OS(=O)(=O)O)c21 ZINC000100775230 FC Annotated Clean in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100777094 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H](O)C[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100777097 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000100777100 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H](O)C[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000100777103 FC Annotated Mild in-man endogenous C[C@@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@@H]42)[C@@]13C ZINC000100777997 FC Annotated Anodyne in-man endogenous C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@@H]42)[C@@]13C ZINC000100778000 FC Annotated Anodyne in-man endogenous C[C@@H](CO)[C@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@@H]42)[C@@]13C ZINC000100778001 FC Annotated Anodyne in-man endogenous C[C@H](CO)[C@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@@H]42)[C@@]13C ZINC000100778004 FC Annotated Anodyne in-man endogenous C=C1C[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@@]12C[C@@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778325 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@@]12C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778326 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@@]12C[C@@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778327 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@@]12C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778329 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12C[C@@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778409 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778411 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12C[C@@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778412 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778413 FC Annotated Mild in-man endogenous C[C@H]1[C@H]2[C@H]3O[C@@]4(O)C[C@](C)([C@@H]5C[C@@H]([C@@H](C)CO)[C@@]4(C)[C@@]53O)[C@@]2(O)C[C@H]1O ZINC000100781248 FC Annotated Anodyne in-man endogenous C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)C[C@@H](O)[C@@H](C)[C@@H]42)[C@@]13C ZINC000100781249 FC Annotated Anodyne in-man endogenous C[C@H]1[C@H]2[C@H]3O[C@@]4(O)C[C@](C)([C@@H]5C[C@H]([C@@H](C)CO)[C@@]4(C)[C@@]53O)[C@@]2(O)C[C@H]1O ZINC000100781250 FC Annotated Anodyne in-man endogenous C[C@H]1[C@H]2[C@H]3O[C@@]4(O)C[C@](C)([C@@H]5C[C@H]([C@H](C)CO)[C@@]4(C)[C@@]53O)[C@@]2(O)C[C@H]1O ZINC000100781251 FC Annotated Anodyne in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781399 FC Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781400 FC Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100781401 FC Annotated Mild in-man endogenous C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100781404 FC Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@@]12C[C@H](O)C[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781451 FC Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781454 FC Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@@]12C[C@@H](O)C[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781457 FC Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100781459 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]12OC(=O)[C@@](C)([C@@H]1[C@H]3C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O ZINC000100783254 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)([C@@H]1[C@H]3C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O ZINC000100783256 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@](C)([C@@H](O)[C@H](O)[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000100783257 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H](O)[C@H](O)[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000100783258 FC Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12OC(=O)[C@@](C)(C[C@@H](O)[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100783818 FC Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)(C[C@@H](O)[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100783820 FC Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12OC(=O)[C@@](C)(C[C@H](O)[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100783821 FC Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)(C[C@H](O)[C@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000100783822 FC Annotated Mild in-man endogenous O=C(CC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1 ZINC000100799970 FC Annotated Bother C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1C(=O)NC(=O)NC1=O ZINC000100887069 FC Annotated Mild C[C@@H]1[C@@H](O)C[C@@]2(O)[C@@H]1[C@H]1O[C@@]3(O)C[C@@]2(C)[C@@H]2C[C@@H]([C@@H](C)CO)[C@@]3(C)[C@@]21O ZINC000100898296 FC Annotated Anodyne in-vitro C[C@@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@]2(C)[C@@]2(O)C[C@H](O)[C@H](C)[C@@H]42)[C@@]13C ZINC000100898297 FC Annotated Anodyne in-vitro C[C@@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@]2(C)[C@@]2(O)CC[C@](C)(O)[C@@H]42)[C@@]13C ZINC000100898299 FC Annotated Anodyne in-vitro C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@]2(C)[C@@]2(O)CC[C@](C)(O)[C@@H]42)[C@@]13C ZINC000100898301 FC Annotated Anodyne in-vitro C[C@@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@]2(C)[C@@]2(O)CC[C@](C)(O)[C@@H]42)[C@@]13C ZINC000100898304 FC Annotated Anodyne in-vitro C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@]2(C)[C@@]2(O)CC[C@](C)(O)[C@@H]42)[C@@]13C ZINC000100898306 FC Annotated Anodyne in-vitro CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5[C@H]6O)[C@@](O)(C[C@@H]32)[C@H]14 ZINC000100899154 FC Annotated Anodyne in-vitro O=C(O)CN/N=c1\n(Cc2ccccc2)c2ccccc2n1C(=O)C(=O)O ZINC000100900207 FC Annotated Anodyne CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1 ZINC000100947848 FC Annotated Reactive CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@@](C)([C@@]34CO4)[C@@]2(CO)CC1 ZINC000100947853 FC Annotated Reactive NC(=O)OCCC1=C(N2CC2)C(=O)C(Br)=C(N2CC2)C1=O ZINC000100970810 FC Annotated Mild CC(=O)NC[C@H]1CN(c2cc(F)c(N3C[C@H]4[C@H](N)[C@H]4C3)c(F)c2)C(=O)O1 ZINC000101020803 FC Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3C[C@H]4[C@H](O)[C@H]4C3)c(F)c2)C(=O)O1 ZINC000101023891 FC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)cc2)C(=O)O1 ZINC000101038609 FC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(C(=O)CO)C[C@@H]43)cc2)C(=O)O1 ZINC000101039603 FC Annotated Anodyne C/C1=C\[C@@]23O[C@@]2(C[C@H](C)[C@@H]3O)C(=O)[C@H](C)[C@H](O)[C@@H]2[C@H]([C@H](O)[C@@H]1O)C2(C)C ZINC000101040858 FC Annotated Anodyne C/C1=C\[C@@]23O[C@@]2(C[C@H](C)[C@@H]3O)C(=O)[C@H](C)[C@H](O)[C@H]2[C@H]([C@H](O)[C@@H]1O)C2(C)C ZINC000101040859 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CCC[C@@](C)(CO)[C@H]1[C@H](O)[C@]3(O)OC2 ZINC000101125209 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CCC[C@@]4(C)CO[C@H]1O[C@@]3(O)[C@@H](O)[C@H]42 ZINC000101130800 FC Annotated Mild CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@](O)([C@@H](O)C(=O)[C@]12O)[C@@](O)(C=O)C3 ZINC000101162230 FC Annotated Mild C=C[C@]1(C)C=C2C(=O)[C@]3(O)OC[C@@]4(CCCC(C)(C)[C@@]43O)[C@@]2(O)[C@H](O)C1 ZINC000101179685 FC Annotated Mild OCC(CO)OCN1CNc2c1nc1nc(-c3ccccc3)cn1c2O ZINC000101269786 FC Annotated Anodyne COCCOCCOc1ccc(CC2C(=O)NC(=S)NC2=O)cc1 ZINC000101282144 FC Annotated Anodyne CN1C(=O)C(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N(C)C1=O ZINC000101297169 FC Annotated Mild COC(=O)N/N=C/c1ccc2c(c1)[n+]([O-])c1cc(C#N)c(N)cc1[n+]2[O-] ZINC000101319421 FC Annotated Reactive CC1=C[C@H]2O[C@H]3[C@H](OC(=O)CCl)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1 ZINC000101328279 FC Annotated Reactive CC1=C[C@H]2O[C@H]3[C@H](OC(=O)CCl)[C@@H](O)[C@@](C)([C@@]34CO4)[C@@]2(CO)CC1 ZINC000101328282 FC Annotated Reactive CO[C@H]1[C@@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C(N4)C(=O)c3[nH]cc4c3C1=[N+]2CC4 ZINC000101329984 FC Annotated Mild O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1C(=O)C=C4S[C@@H](C[C@@]43[C@H]1O)N2 ZINC000101329988 FC Annotated Mild CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(COC(=O)CCl)CC1 ZINC000101331914 FC Annotated Reactive CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@](C)([C@@]34CO4)[C@@]2(COC(=O)CCl)CC1 ZINC000101331915 FC Annotated Reactive C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000101335831 FC Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000101335838 FC Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](NCCO)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000101385364 FC Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@H](NCCO)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000101385366 FC Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)NC2CCCCC2)[C@@H]3C1=O ZINC000101411775 FC Annotated Anodyne CCOC(=O)N1CCC(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)CC1 ZINC000101412395 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@]3(O)OC2 ZINC000101433257 FC Annotated Mild CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@@H]2O)OC1=O ZINC000101450654 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@H]4[C@@H](O)C[C@@H]1[C@H]2O[C@H]1O[C@@]3(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]142 ZINC000101452268 FC Annotated Mild C=C1C(=O)[C@@]23[C@H]4CC[C@@H]1[C@H]2O[C@@H]1O[C@@]3(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@@H](O)[C@]412 ZINC000101453789 FC Annotated Mild C=C1C(=O)[C@@]23[C@H]4CC[C@@H]1[C@H]2O[C@H]1O[C@@]3(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@@H](O)[C@@]142 ZINC000101453793 FC Annotated Mild COC1=CC(=O)c2c(c(CO[P@](N)(=O)N3CCOCC3)cn2C)C1=O ZINC000101473827 FC Annotated Mild CC1=C(N2C[C@H]2C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1[C@@H]3N1C ZINC000101473831 FC Annotated Mild CC1=C(N2C[C@@H]2C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1[C@@H]3N1C ZINC000101473833 FC Annotated Mild CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)N1CCOCC1)C2 ZINC000101505654 FC Annotated Anodyne CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)N1CCOCC1 ZINC000101505707 FC Annotated Anodyne C[C@@H]1CC(=O)C2=C([C@H]1O)[C@@H]1O[C@H]1[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O ZINC000101509147 FC Annotated Mild C[C@@H]1CC(=O)C2=C([C@H]1O)[C@H]1O[C@@H]1[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O ZINC000101509149 FC Annotated Mild CC(=O)O[C@H]1[C@@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@@H]4O[C@]41C)O[C@@H]23 ZINC000101537068 FC Annotated Anodyne C/C=C/C=C/C(O)=C1\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@H]1OC(=O)C[C@]12CO ZINC000101562534 FC Annotated Mild [O-][n+]1cc(NCCCN2CCOCC2)[n+]([O-])c2cc3c(cc21)OCCC3 ZINC000101636544 FC Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1[C@@](C)(CO)CC[C@@H]2O ZINC000101702685 FC Annotated Mild C=C1C(=O)[C@]23C[C@H]1[C@@H](O)C=C2[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000101716658 FC Annotated Mild O=c1c2ncn(C[C@]3(CO)C[C@@H]3CO)c2nc2[nH]c(-c3ccco3)cn12 ZINC000101822645 FC Annotated Anodyne O=c1c2ncn(C[C@@]3(CO)C[C@@H]3CO)c2nc2[nH]c(-c3ccco3)cn12 ZINC000101822650 FC Annotated Anodyne O=c1c2ncn(C[C@]3(CO)C[C@H]3CO)c2nc2[nH]c(-c3ccco3)cn12 ZINC000101822654 FC Annotated Anodyne O=c1c2ncn(C[C@@]3(CO)C[C@H]3CO)c2nc2[nH]c(-c3ccco3)cn12 ZINC000101822661 FC Annotated Anodyne O=c1c2ncn([C@H]3CO[C@@H](CO)O3)c2nc2[nH]c(-c3ccsc3)cn12 ZINC000101886409 FC Annotated Anodyne O=c1c2ncn([C@H]3CO[C@@H](CO)O3)c2nc2[nH]c(-c3cccs3)cn12 ZINC000101887583 FC Annotated Anodyne O=c1c2ncn([C@H]3CO[C@@H](CO)O3)c2nc2[nH]c(-c3ccccc3)cn12 ZINC000101916410 FC Annotated Anodyne C=C1C(=O)[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=CC(=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000101923004 FC Annotated Mild CC(C)C[C@H](CO)NC(=O)[C@H]1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 ZINC000101931395 FC Annotated Anodyne C[C@H]1Cc2cc3c(cc2C1)[n+]([O-])c(NCCCN1CCOCC1)n[n+]3[O-] ZINC000101966146 FC Annotated Anodyne C[C@@H]1Cc2cc3c(cc2C1)[n+]([O-])c(NCCCN1CCOCC1)n[n+]3[O-] ZINC000101966149 FC Annotated Anodyne [O-][n+]1nc(NCCCN2CCOCC2)[n+]([O-])c2cc3c(cc21)CCCC3 ZINC000101968128 FC Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2 ZINC000101974165 FC Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000101981191 FC Annotated Mild C=C1[C@@H]2C[C@@H](O)[C@H]3[C@@]45CO[C@@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5O)[C@]3(C2)[C@@H]1O ZINC000101982753 FC Annotated Mild C=C1[C@@H]2CC(=O)[C@H]3[C@]45C=CC[C@@](C)(CO)[C@H]4[C@H](O)[C@](O)(OC5)[C@]3(C2)[C@@H]1O ZINC000101989737 FC Annotated Mild COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41CO ZINC000101998582 FC Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41CO ZINC000101998588 FC Annotated Anodyne COC(C)(C)[C@@H]1C=C2C(=O)[C@H]3O[C@H]3[C@H]3C=C[C@@H]([C@H]2C(=O)/C1=C/CO)[C@H]3O ZINC000102128578 FC Annotated Mild COC(C)(C)[C@@H]1C=C2C(=O)[C@H]3O[C@H]3[C@H]3C=C[C@@H]([C@@H]2C(=O)/C1=C/CO)[C@H]3O ZINC000102128584 FC Annotated Mild COC(C)(C)[C@@H]1C=C2C(=O)[C@H]3O[C@H]3[C@H]3C=C[C@H]([C@H]2C(=O)/C1=C/CO)[C@H]3O ZINC000102128588 FC Annotated Mild COC(C)(C)[C@@H]1C=C2C(=O)[C@H]3O[C@H]3[C@H]3C=C[C@H]([C@@H]2C(=O)/C1=C/CO)[C@H]3O ZINC000102128592 FC Annotated Mild C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@]3(O)OC2=O ZINC000102160608 FC Annotated Mild CCCCCCCCC[C@H]1O[C@@H]1/C=C/C(=O)[C@]1(O)C(=O)N[C@@H](CO)[C@@H]1O ZINC000102192808 FC Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@@](C2)([C@H]1O)[C@@]1(O)OC[C@]32CCC[C@@](C)(CO)[C@H]2[C@@H]1O ZINC000102234142 FC Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@@](C2)([C@@H]1O)[C@@]1(O)OC[C@]32CCC[C@@](C)(CO)[C@H]2[C@@H]1O ZINC000102234144 FC Annotated Mild O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1CCN1CCOCC1 ZINC000102240846 FC Annotated Anodyne CCCCNC1=CC(=O)c2c(c(C)nc3c2c(=O)n(C)c(=O)n3C)C1=O ZINC000102249850 FC Annotated Mild OC[C@@H](O)[C@@H](O)[C@H](O)C(/C=N\Nc1ccccc1)=N/Nc1ccccc1 ZINC000102311706 FC Annotated Mild O=C(O)/C=C(/C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@@H]1[C@@H]5[C@H]4C[C@H]32 ZINC000102326881 FC Annotated Anodyne O=C(O)/C=C(/C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@@H]1[C@H]5[C@H]4C[C@H]32 ZINC000102326887 FC Annotated Anodyne O=C1C2=CC[C@@H]3C(=O)N(c4ccc(F)cc4F)C(=O)[C@H]3[C@H]2[C@H](O)[C@H]2O[C@H]12 ZINC000102420495 FC Annotated Mild CCN1C(=O)[C@H]2CC[C@H]3/C(=N\OCC(C)C)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102598199 FC Annotated Mild O=C(O)[C@@H]1[C@@H]2C[C@H]([C@@H](Br)[C@H]2N2C(=O)CCC2=O)[C@@H]1C(=O)O ZINC000102643275 FC Annotated Reactive C#CCCCO/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 ZINC000102759560 FC Annotated Mild C#CCCCO/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 ZINC000102832015 FC Annotated Mild CCN1C(=O)[C@H]2CC[C@@H]3/C(=N\OCC(C)C)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102836100 FC Annotated Mild COc1ccc2c(c1)[n+]([O-])c(/C=N/NC(=O)c1ccncc1)c(C)[n+]2[O-] ZINC000102845251 FC Annotated Reactive CCCCN1C(=O)CS/C1=N/Nc1nc2c([nH]1)c(=O)n(C)c(=O)n2C ZINC000102915227 FC Annotated Mild O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2C[C@H]1[C@H](N1C(=O)CCC1=O)[C@@H]2Br ZINC000102917497 FC Annotated Reactive O=C(O)[C@H]1[C@@H]2C[C@@H]([C@H]1C(=O)O)[C@@H](Br)[C@H]2N1C(=O)CCC1=O ZINC000102917500 FC Annotated Reactive CC1=NNC(=O)[C@@H]1[C@@H]1CC(c2c[nH]c3ccccc23)=NN(C(N)=O)C1=O ZINC000102934965 FC Annotated Anodyne CC1=NNC(=O)[C@H]1[C@@H]1CC(c2c[nH]c3ccccc23)=NN(C(N)=O)C1=O ZINC000102934966 FC Annotated Anodyne CC1=NNC(=O)[C@@H]1[C@H]1CC(c2c[nH]c3ccccc23)=NN(C(N)=O)C1=O ZINC000102934968 FC Annotated Anodyne CC1=NNC(=O)[C@H]1[C@H]1CC(c2c[nH]c3ccccc23)=NN(C(N)=O)C1=O ZINC000102934969 FC Annotated Anodyne O=C1C(Cl)=C(NCCN2CCOCC2)C(=O)c2c(O)ccc(O)c21 ZINC000102943090 FC Annotated Mild COC(=O)C1=C(C)N[C@@]2(O)C=CC(=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@]132 ZINC000102943810 FC Annotated Mild COC(=O)C1=C(C)N[C@@]2(O)C=CC(=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@]132 ZINC000102943814 FC Annotated Mild C/C1=C\[C@@]23O[C@@]2(C[C@H](C)[C@@H]3O)C(=O)[C@H](C)[C@H](O)[C@@H]2[C@@H]([C@H](O)[C@@H]1O)C2(C)C ZINC000102945582 FC Annotated Anodyne C/C1=C\[C@@]23O[C@@]2(C[C@H](C)[C@@H]3O)C(=O)[C@H](C)[C@H](O)[C@H]2[C@@H]([C@H](O)[C@@H]1O)C2(C)C ZINC000102945586 FC Annotated Anodyne COC(=O)[C@H]1C=NN[C@@H]1C(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000102947063 FC Annotated Anodyne CCOC(=O)[C@H](CO)NC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O ZINC000102947954 FC Annotated Mild COc1ccccc1/C=c1\[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)[nH]c1=O ZINC000102957971 FC Annotated Anodyne CCOC1(OCC)N=C(N)[C@]2(C#N)[C@]3(C(=O)N(C(C)C)N=C3C)[C@@]12C#N ZINC000102959491 FC Annotated Anodyne C=C1C(=O)[C@]23[C@@H](CC[C@H]1[C@H]2O)[C@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000102960028 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@H]1[C@H]2O)[C@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000102960031 FC Annotated Mild C=C1C(=O)[C@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000102960034 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000102960037 FC Annotated Mild CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc(F)cc2)[nH]c1=O ZINC000102971585 FC Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2F)[nH]c1=O ZINC000102973213 FC Annotated Anodyne COc1cccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1 ZINC000102976135 FC Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2O)[nH]c1=O ZINC000102976563 FC Annotated Anodyne COc1cccc([C@@H]2N[C@@](C)(C(=O)O)[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]32)c1O ZINC000103004789 FC Annotated Clean COc1cccc([C@H]2N[C@@](C)(C(=O)O)[C@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O ZINC000103004792 FC Annotated Clean COC(=O)[C@]12C3C4(C#N)[C@H]1C1[C@H]4[C@]3(C(=O)OC)C12C(=O)N(C(C)C)C(C)C ZINC000103010398 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H](O)[C@H]1CC[C@@H]2[C@]12CO[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@@H]2O ZINC000103017268 FC Annotated Mild COCCNC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)C[C@@H]3O ZINC000103025654 FC Annotated Mild C[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)C=C(NCCCN)C3=O ZINC000103028326 FC Annotated Mild C=C1C(=O)[C@]23[C@H](O)[C@@H]1CC[C@@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000103109089 FC Annotated Mild C=C1C(=O)[C@]23[C@H](O)[C@@H]1CC[C@@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@H]1C(C)(C)CC[C@@H]2O ZINC000103109094 FC Annotated Mild O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@@]1(O)C[C@@]34C[C@H](N2)SC4=CC1=O ZINC000103128633 FC Annotated Mild O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C(=O)N(O)C(=O)c2ccccc21 ZINC000103138296 FC Annotated Clean O=C(NCCc1ccc(O)c(O)c1)[C@H]1C(=O)N(O)C(=O)c2ccccc21 ZINC000103138298 FC Annotated Clean C[C@@H]1[C@@H]2C[C@H](O)[C@@H]3[C@@]([C@@H]2O)([C@@H]1O)[C@@]1(O)OC[C@]32CCCC(C)(C)[C@H]2[C@@H]1O ZINC000103138885 FC Annotated Anodyne C[C@@H]1[C@@H]2CC[C@@H]3[C@@]([C@@H]2O)([C@@H]1O)[C@@]1(O)OC(=O)[C@]32CCCC(C)(C)[C@H]2[C@@H]1O ZINC000103138888 FC Annotated Anodyne C=C1[C@@H]2CC=C3[C@@]45CO[C@@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000103138890 FC Annotated Mild COc1ccc2c(c1)[n+]([O-])c(C#N)c(NC(=O)c1ccc([N+](=O)[O-])o1)[n+]2[O-] ZINC000103147736 FC Annotated Mild CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)C[C@H]3C[C@H]3C2=O)c([N+](=O)[O-])c1 ZINC000103153751 FC Annotated Bother CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)C[C@H]3C[C@H]3C2=O)c([N+](=O)[O-])c1 ZINC000103153753 FC Annotated Bother O=c1cc(-c2nnc(S)n2-c2ccc(F)cc2)c2c(=O)[nH]c(=O)[nH]c2[nH]1 ZINC000103154160 FC Annotated Anodyne O=c1cc(-c2nnc(S)n2-c2ccccc2)c2c(=O)[nH]c(=O)[nH]c2[nH]1 ZINC000103166286 FC Annotated Anodyne COc1cccc2c1C(=O)C(NCCOC(=O)CNC(C)=O)=C(C)C2=O ZINC000103172786 FC Annotated Mild N=C1C2=C3CCCN3[C@](O)(N3CCOCC3)[C@@H]2NC(=O)N1c1ccccc1 ZINC000103174993 FC Annotated Anodyne CCN1C(=O)/C2=C3\CO[C@@](OC)([C@@H](O)CCCCC[C@]21[C@@H](C)O)[C@H]3O ZINC000103177928 FC Annotated Anodyne CCN1C(=O)/C2=C3\CO[C@@](OC)([C@@H](O)CCCCC[C@]21[C@H](C)O)[C@H]3O ZINC000103177929 FC Annotated Anodyne CO[C@]12OC/C(=C3\C(=O)N(C)CC[C@]3(C)C(=O)CCCC[C@@H]1O)[C@@H]2O ZINC000103177932 FC Annotated Anodyne CC(C)C[C@@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N(C)C)n1 ZINC000103179231 FC Annotated Anodyne CC(C)C[C@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N(C)C)n1 ZINC000103179234 FC Annotated Anodyne Cc1ccc(-[n+]2noc(O)c2CN2CCN(CCOCCO)CC2)cc1 ZINC000103194418 FC Annotated Anodyne O=C1NC(c2ccccc2)=N[C@@H]2C1=C1CCCN1[C@]2(O)N1CCOCC1 ZINC000103200874 FC Annotated Anodyne O=C1NC(c2ccccc2)=N[C@H]2C1=C1CCCN1[C@]2(O)N1CCOCC1 ZINC000103200876 FC Annotated Anodyne CN1C(=O)C(C2=NN[C@H](c3coc4ccccc4c3=O)C2)C(=O)N(C)C1=O ZINC000103202597 FC Annotated Anodyne CN1C(=O)C(C2=NN[C@@H](c3coc4ccccc4c3=O)C2)C(=O)N(C)C1=O ZINC000103202599 FC Annotated Anodyne N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@@H]1NC(=O)c1ccccc1 ZINC000103209257 FC Annotated Reactive N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@H]1NC(=O)c1ccccc1 ZINC000103209259 FC Annotated Reactive Cc1nn(Cc2n[nH]c(=O)n2Cc2ccccc2)c(=O)n1Cc1ccco1 ZINC000103217379 FC Annotated Anodyne CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)N1CCOCC1 ZINC000103228763 FC Annotated Anodyne Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccccc3O)c2C)c(N)n1 ZINC000103231829 FC Annotated Reactive Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(O)cc3)c2C)c(N)n1 ZINC000103231835 FC Annotated Reactive Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccccn3)c2C)c(N)n1 ZINC000103231842 FC Annotated Reactive C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1C(=O)NC(=O)NC1=O ZINC000103235914 FC Annotated Mild C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000103238307 FC Annotated Reactive C/C(=N\NS(=O)(=O)c1ccccc1)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000103238332 FC Annotated Mild CN1C(=O)C(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)N(C)C1=O ZINC000103238348 FC Annotated Bother COCCOCCOCCOC(=O)CN1C(=O)[C@@]2(C)C=C(C)[C@H]1OO2 ZINC000103254279 FC Annotated Reactive COCCOCCOCCOC(=O)CN1C(=O)[C@@]2(C)C=C[C@@]1(C)OO2 ZINC000103254290 FC Annotated Reactive COCCOCCOCCOC(=O)CN1C(=O)[C@@]2(C)C=C(C)[C@@]1(C)OO2 ZINC000103254293 FC Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc(OC[C@@H]3CNC(=O)O3)c(F)c2)C(=O)O1 ZINC000103254685 FC Annotated Anodyne CCOC(=O)c1nnn(-c2ccccc2[N+](=O)[O-])c1[C@H](O)[C@@H](O)[C@H](C)O ZINC000103256608 FC Annotated Bother CCOC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1[C@H](O)[C@@H](O)[C@H](C)O ZINC000103256615 FC Annotated Bother N#Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000103262834 FC Annotated Mild O=C(CC1=N[C@@H]2CCCC[C@@H]2NC1=O)NN1C(=O)c2ccccc2C1=O ZINC000103272616 FC Annotated Anodyne O=C(CC1=N[C@H]2CCCC[C@@H]2NC1=O)NN1C(=O)c2ccccc2C1=O ZINC000103272619 FC Annotated Anodyne O=C(CC1=N[C@@H]2CCCC[C@H]2NC1=O)NN1C(=O)c2ccccc2C1=O ZINC000103272622 FC Annotated Anodyne O=C(CC1=N[C@H]2CCCC[C@H]2NC1=O)NN1C(=O)c2ccccc2C1=O ZINC000103272625 FC Annotated Anodyne CC1=CC2=NC(=O)/C(=C\NNC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)N2C=C1 ZINC000103278683 FC Annotated Reactive CCOP(=O)(CCCn1cc(Cn2ncc(=O)[nH]c2=O)nn1)OCC ZINC000103281611 FC Annotated Anodyne O=c1[nH]c(CSc2nc3c(Cl)cnn3c(=O)[nH]2)c(Cl)c(=O)[nH]1 ZINC000103288850 FC Annotated Anodyne Cc1ccc2cc3c(/N=C/OC[C@@H](O)[C@@H](O)[C@H](O)C=O)n[nH]c3nc2c1 ZINC000103289371 FC Annotated Mild COc1ccc2cc3c(/N=C/OC[C@@H](O)[C@H](O)[C@@H](O)C=O)n[nH]c3nc2c1 ZINC000103289374 FC Annotated Mild CCc1c(OC)cc2c(c1O)C(=O)C=C(OC)[C@@]2(O)C[C@@H](O)C(=O)OC ZINC000103290885 FC Annotated Mild CCc1c(OC)cc2c(c1O)C(=O)C[C@]1(OC)OC(=O)[C@H](O)C[C@@]21O ZINC000103292296 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12C=CC(=O)C(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000103292722 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)C=CC2=O ZINC000103292732 FC Annotated Mild CCN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@]21O ZINC000103301509 FC Annotated Anodyne CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(-c5ccc(N)cc5)n4[C@@H]3C[C@]21O ZINC000103301523 FC Annotated Anodyne CCS(=O)(=O)N1CC(CC#N)(N2C[C@H](c3ncnc4c3CC=N4)C=N2)C1 ZINC000103530581 FC Annotated Mild CCS(=O)(=O)N1CC(CC#N)(N2C[C@@H](c3ncnc4c3CC=N4)C=N2)C1 ZINC000103530590 FC Annotated Mild CC(C)C(=O)N[C@H]1c2[nH]c(CCc3ccccc3)c[n+]2[C@H](CO)[C@@H](O)[C@@H]1O ZINC000103543715 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]52[C@H]3[C@@H](O)C[C@@H]14 ZINC000103561704 FC Annotated Mild in-vitro biogenic CC1(C)[C@H]2O[C@H]2[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000103567656 FC Annotated Anodyne in-vitro biogenic O=C(O)C[C@H]1c2c(cc(O)c(O)c2O)C(=O)c2c(O)c(O)c(O)c(O)c21 ZINC000103567825 FC Annotated Clean in-vitro biogenic C[C@@H]1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@H](O)[C@]52[C@H]3CC[C@@H]14 ZINC000103572034 FC Annotated Anodyne in-vitro biogenic C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](O)[C@]1(O)C[C@H](O)C(C)=C([C@@H](O)[C@@H]2O)C1(C)C ZINC000103581652 FC Annotated Mild in-vitro biogenic COC1(OC)C(Br)=CC(O)(C(N)=O)C=C1Br ZINC000103626149 FC Annotated Anodyne COc1ccc(OC2=CNN/C2=C2\C=CC(OCC(=O)NN)=CC2=O)cc1 ZINC000103657535 FC Annotated Reactive COc1ccc(C2=CNN/C2=C2\C=CC(OCC(=O)NN)=CC2=O)cc1 ZINC000103657574 FC Annotated Reactive COc1ccccc1C1=CNN/C1=C1\C=CC(OCC(=O)NN)=CC1=O ZINC000103658477 FC Annotated Reactive COc1cccc(OC2=CNN/C2=C2\C=CC(OCC(=O)NN)=CC2=O)c1 ZINC000103658572 FC Annotated Reactive Cc1nc2nc[nH]n2c(=O)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000103683731 FC Annotated Bother COc1ccc(C2=C(C)NN/C2=C2\C=CC(OCC(=O)NN)=CC2=O)cc1 ZINC000103756060 FC Annotated Reactive C[C@H]1CC(=O)C2=C(C1)[C@@H](O)[C@@H](O)[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O ZINC000103886581 FC Annotated Anodyne CC1=C(C(=O)C/C(=N/NC(=O)CC#N)C(N)=O)[N+](=O)c2ccccc2[N+]1=O ZINC000103942166 FC Annotated Reactive O=C(NC[C@H]1CCCO1)c1nc2n(Cc3ccc(F)cc3)[nH]nc-2c(=O)n1 ZINC000103946045 FC Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1nc2n(Cc3ccc(F)cc3)[nH]nc-2c(=O)n1 ZINC000103946050 FC Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000103961837 FC Annotated Anodyne CCCc1c(C(=O)NN/C(C)=C2\C=CC=CC2=O)nnn1-c1nonc1N ZINC000104004905 FC Annotated Reactive O=C1C=CC([N+](=O)[O-])=C/C1=C\NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 ZINC000104034647 FC Annotated Mild COC1=CC=C/C(=C\NNC(=O)NN/C=C2\C=CC=C(OC)C2=O)C1=O ZINC000104034683 FC Annotated Reactive COc1cccc([C@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1O ZINC000104058440 FC Annotated Clean CCC/N=C1/N(CC)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N12 ZINC000104188755 FC Annotated Mild O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 ZINC000104200928 FC Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 ZINC000104200934 FC Annotated Anodyne COCCCNC(=O)c1nc2n(Cc3cc(C)ccc3C)[nH]nc-2c(=O)n1 ZINC000104210983 FC Annotated Anodyne COCCNC(=O)c1nc2n(Cc3cc(C)ccc3C)[nH]nc-2c(=O)n1 ZINC000104210990 FC Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@](C)([C@@H]1[C@@H]3C(=O)O)[C@H]1O[C@@H]1[C@H]2O ZINC000104355559 FC Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]1[C@@H]3C(=O)O)[C@H]1O[C@@H]1[C@H]2O ZINC000104355566 FC Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@]12OC(=O)[C@@](C)([C@H]4O[C@@H]4[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104355571 FC Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@]12OC(=O)[C@](C)([C@H]4O[C@@H]4[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104355579 FC Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]12OC(=O)[C@@](C)([C@H](O)C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104361111 FC Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]12OC(=O)[C@@](C)([C@@H](O)C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104361123 FC Annotated Mild in-man C[C@@H](CO)[C@@H]1C[C@H]2[C@@]3(O)[C@H]4O[C@](O)(C[C@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@H]42)[C@@]13C ZINC000104364596 FC Annotated Anodyne in-man C[C@H](CO)[C@@H]1C[C@H]2[C@@]3(O)[C@H]4O[C@](O)(C[C@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@H]42)[C@@]13C ZINC000104364600 FC Annotated Anodyne in-man C[C@@H](CO)[C@H]1C[C@H]2[C@@]3(O)[C@H]4O[C@](O)(C[C@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@H]42)[C@@]13C ZINC000104364603 FC Annotated Anodyne in-man C[C@H](CO)[C@H]1C[C@H]2[C@@]3(O)[C@H]4O[C@](O)(C[C@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@H]42)[C@@]13C ZINC000104364606 FC Annotated Anodyne in-man C=C1C[C@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000104365732 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104365741 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000104365964 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104365975 FC Annotated Mild in-man C[C@H]1[C@H]2[C@H]3O[C@@]4(O)C[C@@](C)([C@@H]5C[C@@H]([C@@H](C)CO)[C@]4(C)[C@@]53O)[C@]2(O)C[C@H]1O ZINC000104371281 FC Annotated Anodyne in-man C[C@@H](CO)[C@@H]1C[C@H]2[C@]3(C)C[C@]4(O)O[C@H]([C@@H]5[C@@H](C)[C@H](O)C[C@]53O)[C@@]2(O)[C@@]14C ZINC000104371286 FC Annotated Anodyne in-man C[C@@H]1[C@@H](O)C[C@]2(O)[C@@H]1[C@H]1O[C@@]3(O)C[C@@]2(C)[C@@H]2C[C@@H]([C@@H](C)CO)[C@]3(C)[C@@]21O ZINC000104371289 FC Annotated Anodyne in-man C[C@@H](CO)[C@@H]1C[C@H]2[C@]3(C)C[C@]4(O)O[C@H]([C@@H]5[C@@H](C)[C@@H](O)C[C@]53O)[C@@]2(O)[C@@]14C ZINC000104371294 FC Annotated Anodyne in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104371504 FC Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104371509 FC Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)C[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104371572 FC Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12C[C@H](O)C[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000104371580 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@](C)([C@@H]1[C@@H]3C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O ZINC000104378506 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]12OC(=O)[C@@](C)([C@@H](O)[C@@H](O)[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104378512 FC Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12OC(=O)[C@@](C)(C[C@H](O)[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104381117 FC Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12OC(=O)[C@@](C)(C[C@@H](O)[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000104381123 FC Annotated Mild in-man O=C1C=CC(=C2NN=C(SCC(=O)NNC(=O)c3ccncc3)O2)C=C1 ZINC000104391550 FC Annotated Reactive CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)NC2CCCCC2)[C@@H]3C1=O ZINC000104437025 FC Annotated Anodyne CC(=O)OCC1=C2/C(=C/[C@@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@@H]2O)OC1=O ZINC000105381535 FC Annotated Anodyne COC(=O)[C@@]12C3C4(C#N)[C@@H]1C1[C@H]4[C@]3(C(=O)OC)C12C(=O)N(C(C)C)C(C)C ZINC000105495763 FC Annotated Mild COC(=O)[C@]12C3C4(C#N)[C@@H]1C1[C@H]4[C@]3(C(=O)OC)C12C(=O)N(C(C)C)C(C)C ZINC000105495767 FC Annotated Mild CO[C@@]1(C)/C=N\CC(C)(C)NC(=O)[C@@](C)(OC)/C=N\CC(C)(C)NC1=O ZINC000105507423 FC Annotated Anodyne CO[C@@]1(C)/C=N\CC(C)(C)NC(=O)[C@@](C)(OC)/C=N/CC(C)(C)NC1=O ZINC000105507425 FC Annotated Anodyne C[C@H](N)C(=O)N[C@@H]1[C@@H]2C[C@H](O)CC(O)=C2C(=O)O[C@]1(C)C(Cl)Cl ZINC000105556897 FC Annotated Reactive CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@](O)(CO)[C@](O)(C1)[C@@H](O)C(=O)[C@]32O ZINC000105567283 FC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)NC2CCCCC2)[C@H]3C1=O ZINC000105612299 FC Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)NC2CCCCC2)[C@H]3C1=O ZINC000105612303 FC Annotated Anodyne CCCS(=O)(=O)N1CC(=O)N(Cc2ccccc2OC)C[C@@H](O)C1 ZINC000105846451 FC Annotated Anodyne CCCS(=O)(=O)N1CC(=O)N(Cc2ccccc2OC)C[C@H](O)C1 ZINC000105846456 FC Annotated Anodyne CCCS(=O)(=O)N1CC(=O)N(CCCc2ccccc2)C[C@@H](O)C1 ZINC000105848755 FC Annotated Anodyne CCCS(=O)(=O)N1CC(=O)N(CCCc2ccccc2)C[C@H](O)C1 ZINC000105848758 FC Annotated Anodyne C=c1[nH]n(-c2nnc(C)c(=O)[nH]2)c(=O)/c1=C\c1ccc(N(CC)CC)cc1 ZINC000109764175 FC Annotated Clean OC[C@@H](O)[C@@H](O)[C@H](O)C(/C=N/Nc1ccccc1)=N/Nc1ccccc1 ZINC000111516434 FC Annotated Mild Cc1n[nH]c(N)c1-c1nc2c(S(=O)(=O)NCCO)c(F)ccc2s1 ZINC000114397896 FC Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCCO)cc2s1 ZINC000114398106 FC Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2cc(F)c(S(=O)(=O)NCCO)cc2s1 ZINC000114398173 FC Annotated Anodyne CC(C)(C)c1ccccc1N1CCN(C(=O)C(=O)[C@@H]2NC(=O)NC2=O)CC1 ZINC000114543944 FC Annotated Anodyne CC(C)(C)c1ccccc1N1CCN(C(=O)C(=O)[C@H]2NC(=O)NC2=O)CC1 ZINC000114543946 FC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C(C)=O)c(S(C)(=O)=O)c2)C(=O)O1 ZINC000011524869 FC Annotated Anodyne CC(=O)NC[C@@H]1CN(c2ccc(C(C)=O)c(S(C)(=O)=O)c2)C(=O)O1 ZINC000011524870 FC Annotated Anodyne O=C1c2cc(O)cc(O)c2C(=O)c2c1cc(O)c([C@H](CCO)C(=O)O)c2O ZINC000011686598 FC Annotated Clean Cc1cc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)nn1C ZINC000011766803 FC Annotated Anodyne Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)nn1C ZINC000011766805 FC Annotated Anodyne Cn1ccnc1CN1CCN(c2nc3nonc3nc2N2CCCC2)CC1 ZINC000011819060 FC Annotated Anodyne O=C(NCCN1CCCC1)[C@@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000011839508 FC Annotated Anodyne O=C(NCCN1CCCC1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1 ZINC000011839510 FC Annotated Anodyne CC(C)CCN1CCNC(=O)[C@@H]1CC(=O)NCCCN1CCOCC1 ZINC000011843611 FC Annotated Anodyne CC(C)CCN1CCNC(=O)[C@H]1CC(=O)NCCCN1CCOCC1 ZINC000011843612 FC Annotated Anodyne c1cnc(N2CCN(c3nc4nonc4nc3N3CCCC3)CC2)cn1 ZINC000011878857 FC Annotated Anodyne Cc1cc(C)nc(CCNC(=O)Cn2nnnc2CN2CCCCCC2)n1 ZINC000011879726 FC Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)NCCc2cnn(C)c2)CC1 ZINC000011997975 FC Annotated Anodyne CC1(C)[C@H](O)C[C@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000115018196 FC Annotated Anodyne CC1(C)[C@H](O)C[C@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@]3(C[C@@H](O)[C@@]21O)C[C@]4(C)O ZINC000115018199 FC Annotated Anodyne C[C@@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 ZINC000115341183 FC Annotated Anodyne COCCNc1nc(-c2ccc(NCCO)nc2)cc2ncn(C)c(=O)c12 ZINC000115622362 FC Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC(O)C3)c2c1=O ZINC000115626063 FC Annotated Anodyne COC(=O)CNC(=O)c1ncc(-c2cccc(-c3nn[nH]n3)c2)cc1O ZINC000117534903 FC Annotated Anodyne OCCn1cc(-c2cnc3nnn(Cc4ccn5nccc5c4)c3n2)cn1 ZINC000118228050 FC Annotated Anodyne C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cnc(N)nc4)nc3c21 ZINC000118519996 FC Annotated Anodyne COC(=O)[C@@H](CCSC)NC(=O)c1cn(CCN2CCCCC2)nn1 ZINC000012022417 FC Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1cn(CCN2CCCCC2)nn1 ZINC000012022421 FC Annotated Anodyne CC1CCN(Cc2nnnn2CC(=O)N2CCCC[C@@H]2CCO)CC1 ZINC000012073990 FC Annotated Anodyne CC1CCN(Cc2nnnn2CC(=O)N2CCCC[C@H]2CCO)CC1 ZINC000012073992 FC Annotated Anodyne COC(=O)[C@@H](CCSC)NC(=O)COc1ccc(N2CCCC2)nn1 ZINC000012165843 FC Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)COc1ccc(N2CCCC2)nn1 ZINC000012165849 FC Annotated Anodyne O=C(NCc1cn2c(n1)SCC2)c1cn(CCN2CCCCC2)nn1 ZINC000012307114 FC Annotated Anodyne Cc1c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000012372090 FC Annotated Anodyne Cc1cccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(C)C)CC2)n1 ZINC000012438339 FC Annotated Anodyne Cc1cccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(C)C)CC2)n1 ZINC000012438341 FC Annotated Anodyne COC(=O)[C@]1(CCSC)N[C@@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000012495907 FC Annotated Anodyne CCN1CC[C@@]2(CCN(c3nc4nonc4nc3N3CCOCC3)C2)C1 ZINC000012570259 FC Annotated Anodyne CCN1CC[C@]2(CCN(c3nc4nonc4nc3N3CCOCC3)C2)C1 ZINC000012570262 FC Annotated Anodyne CN(CCc1cnn(C)c1)C(=O)Cn1nnnc1CN1CCCCCC1 ZINC000012597137 FC Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N(C)[C@@H]2CCOC2)CC1 ZINC000012704525 FC Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N(C)[C@H]2CCOC2)CC1 ZINC000012704530 FC Annotated Anodyne COC(=O)c1ccc(CNC(=O)Cn2nnnc2CN(C)C(C)C)cc1 ZINC000012725745 FC Annotated Anodyne CN(C[C@@H]1COCCO1)c1nc2nonc2nc1N1CCSCC1 ZINC000012762121 FC Annotated Anodyne CN(C[C@H]1COCCO1)c1nc2nonc2nc1N1CCSCC1 ZINC000012762125 FC Annotated Anodyne O=C(CCCn1cnc([N+](=O)[O-])n1)NCCCn1ccnc1[N+](=O)[O-] ZINC000012971198 FC Annotated Bother COC1=c2ccoc2=C(OC)C(=O)/C1=C1/C=C(c2ccc(OC)cc2)NN1 ZINC000013111084 FC Annotated Mild COC1=C/C(=C/Nn2cnnc2-n2nc(C)cc2C)C=C([N+](=O)[O-])C1=O ZINC000013118809 FC Annotated Mild NS(=O)(=O)c1ccc(NN/C=C2\C=CC(=O)C=C2O)c([N+](=O)[O-])c1 ZINC000013119040 FC Annotated Mild COC1=C/C(=C/NNC(=O)C(=O)NC[C@@H]2CCCO2)C=C(Cl)C1=O ZINC000013119206 FC Annotated Reactive COC1=C/C(=C/NNC(=O)C(=O)NC[C@H]2CCCO2)C=C(Cl)C1=O ZINC000013119207 FC Annotated Reactive O=C1C=C/C(=C/NNc2nc(N3CCCC3)nc(N3CCCC3)n2)C=C1O ZINC000013119224 FC Annotated Mild COc1ccccc1/C=C\C(=O)NCC(=O)NN/C=C1\C=CC(=O)C=C1O ZINC000013119296 FC Annotated Reactive COC1=CC=C/C(=C\NNC(=O)CNC(=O)COc2cccc(C)c2)C1=O ZINC000013119299 FC Annotated Reactive COc1ccc(/C=C\C(=O)NCC(=O)NN/C=C2\C=CC(=O)C=C2O)cc1 ZINC000013119303 FC Annotated Reactive Cc1cccc(OCC(=O)NCC(=O)NN/C=C2\C=CC(=O)C=C2O)c1 ZINC000013119304 FC Annotated Reactive O=C1C=CC(=c2[nH]c3n(/c2=N\c2ccc4c(c2)OCCO4)C=CNC=3)C=C1 ZINC000013119838 FC Annotated Mild O=C(Cn1nnc(-c2ccccc2)n1)NN/C=C1\C=CC=C([N+](=O)[O-])C1=O ZINC000013120060 FC Annotated Reactive O=C(COc1ccccc1[N+](=O)[O-])NN/C=C1/C=CC(=O)C([N+](=O)[O-])=C1 ZINC000013120069 FC Annotated Reactive COC1=CC=C/C(=C\NNC(=O)CNC(=O)COc2ccccc2)C1=O ZINC000013121991 FC Annotated Reactive NS(=O)(=O)c1ccc(NN/C=C2\C=CC(=O)C(O)=C2O)c([N+](=O)[O-])c1 ZINC000013122311 FC Annotated Mild COC1=C/C(=C(\C)NNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)C=CC1=O ZINC000013122407 FC Annotated Reactive N#Cc1c(N)nc2c(c1N)=C(N)SC1=NC(=O)C[C@H](c3ccccc3)C=21 ZINC000013122796 FC Annotated Mild N#Cc1c(N)nc2c(c1N)=C(N)SC1=NC(=O)C[C@@H](c3ccccc3)C=21 ZINC000013122797 FC Annotated Mild COC1=CC=C/C(=C\NNC(=O)CNC(=O)CCc2ccccc2)C1=O ZINC000013123064 FC Annotated Reactive COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@@H]2COc3ccccc3O2)C1=O ZINC000013123323 FC Annotated Reactive COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@H]2COc3ccccc3O2)C1=O ZINC000013123324 FC Annotated Reactive O=C(Cn1nnc(-c2ccccc2)n1)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O ZINC000013124316 FC Annotated Reactive COC1=CC=C/C(=C\NNC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)C1=O ZINC000013125014 FC Annotated Reactive COC1=CC=C/C(=C\NNC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)C1=O ZINC000013125015 FC Annotated Reactive COC1=CC=C/C(=C\NNC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)C1=O ZINC000013125016 FC Annotated Reactive O=C1C=C(O)/C(=C/NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)C=C1[N+](=O)[O-] ZINC000013125052 FC Annotated Mild COC1=C/C(=C/NNC(=O)Cn2cnc3ccccc3c2=O)C=CC1=O ZINC000013125334 FC Annotated Reactive O=C(Cn1nc2ccccc2n1)NN/C=C1\C=C(Cl)C=C([N+](=O)[O-])C1=O ZINC000013125974 FC Annotated Reactive COCc1cc(C)nc(OCC(=O)NNC=C2C=CC(=O)C=C2)c1C#N ZINC000013126149 FC Annotated Reactive CC1(CC(=O)NN/C=C2\C=C(Br)C(O)=CC2=O)OCCO1 ZINC000013130526 FC Annotated Reactive CN(C)c1nc(NN/C=C2\C=Nc3ccccc32)nc(N2CCOCC2)n1 ZINC000013132539 FC Annotated Anodyne COc1cccc([C@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O ZINC000013133102 FC Annotated Clean C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccncc1 ZINC000013143060 FC Annotated Reactive O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 ZINC000013147464 FC Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NC[C@@H]1COc2ccccc2O1 ZINC000013147465 FC Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)NC2CCCCC2)[C@@H]3C1=O ZINC000013147529 FC Annotated Anodyne COC1=CC(=O)[C@]2(CC[C@@]34C(OC)=C(OC)C(=O)C[C@@]23CCN4C)[C@@H]1O ZINC000013308008 FC Annotated Mild CC1=CC(=O)O[C@@H]1[C@@]1(C)C[C@@H]2OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]23[C@@H]14 ZINC000013309347 FC Annotated Anodyne C=C1C[C@H](OC(=O)[C@@](C)(O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000013326238 FC Annotated Mild COC(=O)[C@H]1C[C@@H](O)[C@H](O)[C@@H](n2cc(CC#N)c3c(OC)cccc32)O1 ZINC000013369271 FC Annotated Mild N=C(NCCCCNC(=O)C(=O)c1cn(O)c2ccccc12)/C(N)=N\O ZINC000013377174 FC Annotated Mild CS[C@]1(CO)C(=O)N2c3c(O)cccc3C[C@@]2(SC)C(=O)N1C ZINC000013377824 FC Annotated Anodyne O=C1C[C@@H](C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(OS(=O)(=O)O)c21 ZINC000013379156 FC Annotated Clean in-man endogenous COc1cc2oc(C)cc(=O)c2c(O)c1CS(=O)(=O)CCNC(C)=O ZINC000013385308 FC Annotated Anodyne in-vitro biogenic C[C@@](O)(C[C@@H]1C=C(CO)C(=O)O1)[C@@H]1COc2ccc3ccc(=O)oc3c2O1 ZINC000013399289 FC Annotated Anodyne C[C@](O)(C[C@@H]1C=C(CO)C(=O)O1)[C@@H]1COc2ccc3ccc(=O)oc3c2O1 ZINC000013399293 FC Annotated Anodyne C[C@@](O)(C[C@H]1C=C(CO)C(=O)O1)[C@@H]1COc2ccc3ccc(=O)oc3c2O1 ZINC000013399297 FC Annotated Anodyne C[C@](O)(C[C@H]1C=C(CO)C(=O)O1)[C@@H]1COc2ccc3ccc(=O)oc3c2O1 ZINC000013399301 FC Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@](O)([C@H](C)O)[C@@H]1C[C@H]23 ZINC000013406517 FC Annotated Anodyne CC(C)C/C=C/C=C/C(=O)NC1=C[C@@](O)(CCC(N)=O)[C@H](O)CC1=O ZINC000013431910 FC Annotated Mild in-vitro C#C[C@H](CC(=O)O)NC(=O)CNC(=O)CCCc1ccc2c(n1)NCCC2 ZINC000013436040 FC Annotated Mild O=C(O)CCNC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O ZINC000013436070 FC Annotated Anodyne CC(=O)O[C@@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O ZINC000013440460 FC Annotated Bother CC(=O)O[C@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O ZINC000013440462 FC Annotated Bother COC(=O)N[C@@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O ZINC000013440479 FC Annotated Bother COC(=O)N[C@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O ZINC000013440481 FC Annotated Bother C=CCOc1ccc(C(=O)N[C@H](CO)C(=O)NO)cc1OC(F)(F)F ZINC000013474949 FC Annotated Mild CC(C)C[C@@H](N)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 ZINC000013478085 FC Annotated Anodyne CC(C)C[C@H](N)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 ZINC000013478087 FC Annotated Anodyne CC[C@@H](C)[C@@H](N)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 ZINC000013478120 FC Annotated Anodyne CC[C@@H](C)[C@H](N)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 ZINC000013478122 FC Annotated Anodyne CC[C@@H](C)[C@H](N)c1cn([C@@H](CCCCN)C(=O)N2CCNCC2)nn1 ZINC000013478128 FC Annotated Anodyne CC[C@H](C)[C@H](N)c1cn([C@@H](CCCCN)C(=O)N2CCNCC2)nn1 ZINC000013478130 FC Annotated Anodyne CC(C)C[C@H](N)c1cn([C@@H](CCCCN)C(=O)N2CCNCC2)nn1 ZINC000013478145 FC Annotated Anodyne C#CCO[C@@H]1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO ZINC000013479026 FC Annotated Mild COC(=O)[C@@](C)(O)[C@H]1C[C@@H]2C(C)=CC(=O)[C@H](OC(C)=O)[C@@]2(C)CC1=O ZINC000013485348 FC Annotated Mild Nc1nc(C(F)(F)F)ncc1CO[P@](=O)(O)OP(=O)(O)O ZINC000013517846 FC Annotated Anodyne in-vivo CC1(C)S[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)O)N[C@@H]1C(=O)O ZINC000013520633 FC Annotated Anodyne in-man CC(C)(C)C(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS ZINC000013522155 FC Annotated Mild in-vivo CC[C@@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)OCC(=O)O ZINC000013528060 FC Annotated Anodyne O=C(O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4cnnc4)cc3n2n1 ZINC000013532580 FC Annotated Anodyne NCCCN(CCCN)Cc1ccc(CN(CCCN)CCCN)cc1 ZINC000013553206 FC Annotated Anodyne O=C(O)Cc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1 ZINC000013553639 FC Annotated Bother CN(C)CCc1c(C(N)=O)[nH]c2ccc(CCN3C(=O)CNC3=O)cc12 ZINC000013557163 FC Annotated Anodyne CNC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C ZINC000013557165 FC Annotated Anodyne C[C@@H]1CN1C1=CC(=O)c2c(cc(C(=O)NCCN3CCOCC3)n2C)C1=O ZINC000013557502 FC Annotated Mild C[C@H]1CN1C1=CC(=O)c2c(cc(C(=O)NCCN3CCOCC3)n2C)C1=O ZINC000013557504 FC Annotated Mild COC(=O)[C@@H]1CSCc2c(O)cc(O)c(C)c2C(=O)OCCC(=O)N1 ZINC000013559779 FC Annotated Anodyne COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCC(=O)N1 ZINC000013559797 FC Annotated Anodyne CC(C)(CO)CNC(=O)c1cccc(-n2nc3nc(N)nc(O)c3n2)c1 ZINC000013559926 FC Annotated Anodyne N=C(N)c1ccc(N2CCC3(CCN(C(=O)CC(=O)O)CC3)C2=O)cc1 ZINC000013560375 FC Annotated Anodyne N=C(N)c1ccc(N2CC3(CCN(C(=O)CC(=O)O)CC3)CC2=O)cc1 ZINC000013560390 FC Annotated Anodyne COC1=CC(=CNNC(=O)[C@@H]2COc3ccccc3O2)C=C(OC)C1=O ZINC000013564499 FC Annotated Reactive COC1=CC(=CNNC(=O)[C@H]2COc3ccccc3O2)C=C(OC)C1=O ZINC000013564501 FC Annotated Reactive C[C@@H](O)[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)OCCCS ZINC000013586950 FC Annotated Mild C[C@H](O)[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)OCCCS ZINC000013586951 FC Annotated Mild C[C@@H](O)[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)OCCCS ZINC000013586952 FC Annotated Mild C[C@H](O)[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)OCCCS ZINC000013586953 FC Annotated Mild CCS(=O)(=O)/N=C/NCc1cccc(-c2csc(N=C(N)N)n2)n1 ZINC000013600831 FC Annotated Mild CCn1c2cc(N3CCN(C)CC3)c(F)cc2n2c(=O)n(O)c(=O)cc12 ZINC000013650478 FC Annotated Anodyne CN1CCN(c2cc3c(cc2F)n2c(=O)n(O)c(=O)cc2n3C2CC2)CC1 ZINC000013650480 FC Annotated Anodyne Nn1c(=O)cc2n(C3CC3)c3cc(N4CCNCC4)c(F)cc3n2c1=O ZINC000013650482 FC Annotated Anodyne CNn1c(=O)cc2n(C3CC3)c3cc(N4CCNCC4)c(F)cc3n2c1=O ZINC000013650483 FC Annotated Anodyne CCOC(=O)/C=C(\C)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000013652256 FC Annotated Anodyne Cn1c(=O)c2c(O)c(/C=N/Cc3ccccc3)c(=O)n(C)c2n(C)c1=O ZINC000013657961 FC Annotated Mild COc1cc(CCCN2C(=O)C(=O)NC[C@@H]2[C@@H](C)O)cc(OC)c1OC ZINC000013662217 FC Annotated Anodyne COc1cc(CCCN2C(=O)C(=O)NC[C@@H]2[C@H](C)O)cc(OC)c1OC ZINC000013662219 FC Annotated Anodyne CN(C)Cc1cc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)ccc1O ZINC000013727947 FC Annotated Clean N=C(N)c1ccc(C(=O)NCC(=O)c2ccc(OCC(=O)O)cc2)nc1 ZINC000013730652 FC Annotated Anodyne CC(C)(C)C1CS(=O)(=O)C(C2=CC(=[N+]=[N-])C=CC2=O)S(=O)(=O)C1 ZINC000013733466 FC Annotated Mild CCOC(=O)CCCn1c(=O)c2c(nc(Br)n2C)n(C)c1=O ZINC000013745129 FC Annotated Anodyne CCOC(=O)c1ccc(Cn2c(=O)c3c(nc(S)n3C)n(C)c2=O)cc1 ZINC000013745167 FC Annotated Anodyne C#C[C@H](CC(=O)O)NC(=O)CN1CCc2ccc(N3CCNCC3)cc2C1 ZINC000013760123 FC Annotated Mild CN1C(=O)c2cc(NC(=O)[C@@](C)(O)C(F)(F)F)ccc2S1(=O)=O ZINC000013760252 FC Annotated Anodyne CN1C(=O)c2cc(NC(=O)[C@](C)(O)C(F)(F)F)ccc2S1(=O)=O ZINC000013760253 FC Annotated Anodyne C#C[C@H](CC(=O)O)NC(=O)CCNC(=O)c1cc2cc(C(=N)N)ccc2o1 ZINC000013776170 FC Annotated Mild C#C[C@@H](CC(=O)O)NC(=O)CCNC(=O)c1cc2cc(C(=N)N)ccc2o1 ZINC000013776172 FC Annotated Mild O=C(C1=Cc2cccc(OC[C@@H]3CNCCO3)c2OC1)N1CCOCC1 ZINC000013779600 FC Annotated Anodyne O=C(C1=Cc2cccc(OC[C@H]3CNCCO3)c2OC1)N1CCOCC1 ZINC000013779601 FC Annotated Anodyne COc1ccc(CN2C(=O)c3cccn3[C@]3(CC(=O)NC3=O)C2=O)cc1 ZINC000013781458 FC Annotated Anodyne O=C1C[C@]2(C(=O)N1)C(=O)N(Cc1ccc(F)cc1F)C(=O)c1cccn12 ZINC000013781470 FC Annotated Anodyne Cn1c(=O)cnn(CCCCNCc2cccc(-n3cccn3)n2)c1=O ZINC000013782312 FC Annotated Anodyne C[S@](=O)CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1 ZINC000013822182 FC Annotated Anodyne N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCC(O)CC2)o1 ZINC000013825572 FC Annotated Reactive N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCC[C@@H](O)C2)o1 ZINC000013825574 FC Annotated Reactive N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCC[C@H](O)C2)o1 ZINC000013825576 FC Annotated Reactive N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCOCC2)o1 ZINC000013825582 FC Annotated Reactive CC(C)[C@@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000013827679 FC Annotated Anodyne CCOC(=O)C1=CN(C(=O)OC(C)(C)C)[C@@H](CN2C(=O)COCC2=O)C1 ZINC000013828884 FC Annotated Anodyne CCOC(=O)C1=CN(C(=O)OC(C)(C)C)[C@H](CN2C(=O)COCC2=O)C1 ZINC000013828886 FC Annotated Anodyne O=C(NCCNCCO)[C@@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 ZINC000013829226 FC Annotated Anodyne O=C(NCCNCCO)[C@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 ZINC000013829228 FC Annotated Anodyne O=P(O)(O)C[C@@H]1CC[C@@H](CP(=O)(O)O)[C@H](CP(=O)(O)O)C1 ZINC000013833368 FC Annotated Anodyne O=P(O)(O)Cc1ccc(CP(=O)(O)O)c(CP(=O)(O)O)c1 ZINC000013833371 FC Annotated Anodyne O=C(NN1CCN(CCO)CC1)[C@H]1Cc2c(sc3ccccc23)CN1 ZINC000013833822 FC Annotated Anodyne COc1cc2nc(C[C@@H](N)C(=O)O)c(CP(=O)(O)O)nc2cc1OC ZINC000013861297 FC Annotated Anodyne C[C@H]1COc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)nc3n21 ZINC000013889170 FC Annotated Anodyne C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2CN[C@@H](CC(N)=O)C(=O)O)[C@H]2C(=C)CC[C@@H]12 ZINC000013906701 FC Annotated Mild CO[C@@H](CCNC(=O)N(CCCl)N=O)n1c(=O)[nH]cc(F)c1=O ZINC000013908674 FC Annotated Reactive C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)CCO)CC(=O)O1 ZINC000013918882 FC Annotated Anodyne CC1=CC(=O)[C@@H]2O[C@@]3(CC[C@]4(O3)C(=O)c3c(O)cccc3C(=O)[C@@]24O)[C@H]1O ZINC000136034009 FC Annotated Mild CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1[C@@H]1O[C@@]14C1=C(CC[C@]34C)C(=O)OC1)C2=O ZINC000136830624 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[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 ZINC000136872266 FC Annotated Anodyne Nc1nc(=O)n([C@@H]2CCCS2)cc1C#CCNS(=O)(=O)C1CC1 ZINC000137062530 FC Annotated Anodyne Nc1nc(=O)n([C@H]2CCCS2)cc1C#CCNS(=O)(=O)C1CC1 ZINC000137062568 FC Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(-c3ccc4c(c3)OCO4)c(=O)c12 ZINC000137078130 FC Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c12 ZINC000137078186 FC Annotated Anodyne COc1ccccc1Cn1c(=O)c2c(=O)c3[nH]cc[nH]c3c(=O)c2c1=O ZINC000137078281 FC Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3cc(F)cc(F)c3)c(=O)c12 ZINC000137078942 FC Annotated Anodyne COc1ccc([C@@H]2C3(C=CC(=O)C=C3)C[C@]3(O)N(C)C(N)=N[C@]23O)cc1 ZINC000137309248 FC Annotated Mild COc1ccc([C@@H]2C3(C=CC(=O)C=C3)C[C@@]3(O)N(C)C(N)=N[C@]23O)cc1 ZINC000137309304 FC Annotated Mild C=C(C)[C@@H]1C[C@]2(O)O[C@@]3(C=C2CO)[C@H]1C=C1C(=O)O[C@@H]2C[C@@](C)(O)[C@H]3[C@H]12 ZINC000137646105 FC Annotated Mild C[C@@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 ZINC000137984390 FC Annotated Anodyne C=C1OC(=O)[C@@]2([C@H](/C=C/[C@H](C)C[C@H](C)[C@@H](C)O)C=C[C@@H](O)[C@@H]2O)[C@H]1O ZINC000138402746 FC Annotated Mild CC(=O)O[C@H]1C[C@@](C)(O)[C@]23O[C@H]2[C@@H](Cl)[C@@](C)(O)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000138617195 FC Annotated Reactive COc1ccc2c(c1O)[C@@]13CCN[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](OC)[C@@H](O)C3 ZINC000138683622 FC Annotated Anodyne CC[C@H]1N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@@H]3OC[C@H]2[C@H]1[C@H]3O ZINC000138700340 FC Annotated Anodyne C/C=C1\C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@@](C)(O)[C@@H](C)[C@@H]1O)[C@H]23 ZINC000138962544 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](O)[C@H]1C[C@@]1(O)OC[C@]4(CCC[C@](C)(C=O)[C@H]4C[C@H]2O)[C@H]13 ZINC000139339208 FC Annotated Mild CO[C@@H]([C@@H](COC(C)=O)OC)[C@H](OC)[C@@H](COC(C)=O)OC(C)=O ZINC000139348588 FC Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)[C@@H](O)[C@@](C)(O)[C@@H]1C=C[C@@](C)(OO)[C@H]21 ZINC000139424468 FC Annotated Reactive CC1=CC(=O)[C@@]2(O)[C@](O)(CC[C@H]3C(=O)c4c(O)cccc4C(=O)[C@]32O)C1 ZINC000139459015 FC Annotated Mild COC(=O)NCc1ccc(O[C@@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 ZINC000014443995 FC Annotated Anodyne in-man endogenous COC(=O)NCc1ccc(O[C@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 ZINC000014443997 FC Annotated Anodyne in-man endogenous COC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 ZINC000014443999 FC Annotated Anodyne in-man endogenous COC(=O)NCc1ccc(O[C@H]2O[C@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 ZINC000014444001 FC Annotated Anodyne in-man endogenous CCOC(=S)NCc1ccc(O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC000014444121 FC Annotated Anodyne in-man metabolite CCOC(=S)NCc1ccc(O[C@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC000014444123 FC Annotated Anodyne in-man metabolite COc1c(O)cc2c(c1OC)C(=O)O[C@]21[C@H](O)[C@@H](O)C=C2CCN(C)[C@H]21 ZINC000140012526 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000140065027 FC Annotated Mild COc1ccc2c(c1O)[C@]1(O)/C(=C/O[C@H]3C=C(O)C(=O)O3)C(=O)O[C@@H]1C2 ZINC000140075222 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](O)[C@H](O)[C@@H]1[C@H]2O)[C@]1(CO)CCCC(C)(C)[C@H]1C[C@H]3O ZINC000140984634 FC Annotated Mild OCCCc1c[n+](Cc2cccc(C[n+]3c[nH]c(CCCO)c3)n2)c[nH]1 ZINC000141132580 FC Annotated Anodyne C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@@H](C)O1 ZINC000141588634 FC Annotated Anodyne C/C=C1/C[C@@H](CO)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000141588944 FC Annotated Anodyne C/C=C1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000141702425 FC Annotated Anodyne C/C=C/C(=O)OCC1=C[C@H](O)[C@H]2O[C@@](C)(OC)[C@@](C)(OC)O[C@@H]2C1=O ZINC000142393216 FC Annotated Mild C/C=C/C(=O)OCC1=C[C@@H](O)[C@H]2O[C@@](C)(OC)[C@@](C)(OC)O[C@@H]2C1=O ZINC000142393415 FC Annotated Mild COC(=O)[C@]1(O)[C@@H](O)[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000142444279 FC Annotated Anodyne COc1ccccc1/C=c1/[nH]c(=O)/c(=C\c2nc[nH]c2C(C)(C)C)[nH]c1=O ZINC000142901625 FC Annotated Anodyne CN(Cc1cccc(-c2cnc(N3CCO[C@@H](CO)C3)nc2)c1)C(=O)CN ZINC000143001401 FC Annotated Anodyne CN(Cc1cccc(-c2cnc(N3CCO[C@H](CO)C3)nc2)c1)C(=O)CN ZINC000143001626 FC Annotated Anodyne CC1=C2[C@H](O)[C@]3(O)[C@@H](O)C[C@@H]4C(C)(C)C=CC(=O)[C@@]4(C)[C@@H]3C[C@H]2OC1=O ZINC000143243478 FC Annotated Mild Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1cn2ccccc2n1 ZINC000144075723 FC Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc2ccccn2n1 ZINC000144101405 FC Annotated Anodyne OCCn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1 ZINC000144179945 FC Annotated Anodyne C=C1C[C@H](OC(=O)[C@@](C)(O)CO)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000144382232 FC Annotated Mild CC(=O)O[C@@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)C(C)C ZINC000014516823 FC Annotated Bother C[C@@]1(COC(=O)c2cc(Br)c[nH]2)NC=N[C@H](C(=O)O)[C@@H]1O ZINC000014586817 FC Annotated Anodyne CN1C(=O)N[C@H](CCCNC(=O)c2cc(Br)cn2C)C1=O ZINC000014594148 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)[C@@H](O)C[C@@H](O)[C@@]2(C)[C@@H]13 ZINC000014611993 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[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 ZINC000014612019 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[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 ZINC000014612020 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[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 ZINC000014612021 FC Annotated Anodyne C[C@@H]1O[C@@H](Oc2ccc(C/N=C(/S)OC#N)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014613534 FC Annotated Mild in-man endogenous C[C@H]1O[C@@H](Oc2ccc(C/N=C(/S)OC#N)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014613535 FC Annotated Mild in-man endogenous C[C@@H]1O[C@H](Oc2ccc(C/N=C(/S)OC#N)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014613536 FC Annotated Mild in-man endogenous C[C@H]1O[C@H](Oc2ccc(C/N=C(/S)OC#N)cc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014613537 FC Annotated Mild in-man endogenous O=C1[C@@H]2O[C@@H]2C2(Oc3cccc4cccc(c34)O2)[C@]23O[C@]12[C@H](O)C=CC3=O ZINC000014636327 FC Annotated Mild O=C1C=CC(=O)[C@]23O[C@]12C(=O)[C@@H]1O[C@@H]1C31Oc2cccc3cccc(c23)O1 ZINC000014636332 FC Annotated Mild O=C1[C@@H]2O[C@@H]2C2(Oc3cccc4cccc(c34)O2)[C@]23O[C@]12[C@H](O)CCC3=O ZINC000014636358 FC Annotated Anodyne COC(=O)[C@@H](O)CS[C@@H]1CC(=O)O[C@@H](C)CCCCC[C@@H](O)C1=O ZINC000014636814 FC Annotated Anodyne COC(=O)[C@H](O)CS[C@@H]1CC(=O)O[C@@H](C)CCCCC[C@@H](O)C1=O ZINC000014636816 FC Annotated Anodyne COC(=O)[C@@H](O)CS[C@H]1CC(=O)O[C@@H](C)CCCCC[C@@H](O)C1=O ZINC000014636818 FC Annotated Anodyne COC(=O)[C@H](O)CS[C@H]1CC(=O)O[C@@H](C)CCCCC[C@@H](O)C1=O ZINC000014636820 FC Annotated Anodyne COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H](C(O)(CO)CO)O2 ZINC000014682413 FC Annotated Bother CC(C)=CC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](C)(O)[C@H](C)O)[C@H]12 ZINC000014685619 FC Annotated Bother Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H](C(O)(CO)CO)O3 ZINC000014689092 FC Annotated Bother in-man endogenous Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H](C(O)(CO)CO)O3 ZINC000014689094 FC Annotated Bother in-man endogenous C[C@]1(O)CC(=O)[C@@]2(O)C3=C(CC[C@@]2(O)C1)C(=O)c1c(O)cccc1C3=O ZINC000014689406 FC Annotated Mild COc1ccc([C@@H]2C3(C=CC(=O)C=C3)C[C@@]3(O)N(C)C(N)=N[C@@]23O)cc1 ZINC000014713595 FC Annotated Mild COc1ccc([C@H]2C3(C=CC(=O)C=C3)C[C@@]3(O)N(C)C(N)=N[C@@]23O)cc1 ZINC000014713597 FC Annotated Mild COc1ccc([C@@H]2C3(C=CC(=O)C=C3)C[C@]3(O)N(C)C(N)=N[C@@]23O)cc1 ZINC000014713599 FC Annotated Mild Cc1c(O)c(=O)c2c(cc(O)c3c(=O)c4c(O)cccc4c(=O)c32)c1=O ZINC000014814490 FC Annotated Bother in-vitro C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@](C)(CO)[C@H]1CO)COC3=O ZINC000014817374 FC Annotated Mild O=C1c2cc(O)cc(O)c2C(=O)c2c1cc(O)c([C@H](CO)CCO)c2O ZINC000014828630 FC Annotated Clean in-vitro CC[C@@]1(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@H](C(C)C)[C@@H]1O)[C@H]23 ZINC000014858454 FC Annotated Anodyne Cn1c(=O)n(CC[C@]2(O)C(=O)Nc3ccccc32)c(=O)c2ccccc21 ZINC000014884788 FC Annotated Anodyne CNS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3ccc4[nH]ncc4c32)cc1 ZINC000014945779 FC Annotated Anodyne NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)NCC(=O)O)cc12 ZINC000014960736 FC Annotated Mild CN(CC(=O)O)S(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1 ZINC000014960747 FC Annotated Mild CCCN1C(=O)N(C)[C@@](C(=O)OC)(C2=CC(=O)c3[nH]ccc3C2=O)C1=O ZINC000014977579 FC Annotated Mild CCCN1C(=O)N(C)[C@](C(=O)OC)(C2=CC(=O)c3[nH]ccc3C2=O)C1=O ZINC000014977581 FC Annotated Mild CN1CCOC[C@@H]1c1nc(C(=O)NCCc2ccccc2)c(O)c(=O)n1C ZINC000014979350 FC Annotated Anodyne CN1CCOC[C@H]1c1nc(C(=O)NCCc2ccccc2)c(O)c(=O)n1C ZINC000014979353 FC Annotated Anodyne O=C(O)/C=C(/C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@H]1[C@@H]5[C@H]4C[C@H]32 ZINC000145207281 FC Annotated Anodyne CC1=C(/C=C/[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O ZINC000145873202 FC Annotated Mild C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@H]1C(C)(C)CC[C@H]2O ZINC000145875770 FC Annotated Mild C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@@]3(O)[C@@H](O)[C@H]1C(C)(C)CC[C@@H]2O ZINC000145875946 FC Annotated Mild COC(=O)[C@@H]1C[C@@]23[C@@H](O)C[C@]14Nc1ccccc1[C@@]41CCN(C[C@@H]4O[C@@H]42)[C@@H]31 ZINC000146422077 FC Annotated Anodyne CC(C)C(=O)O[C@H]1[C@@H](F)[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)CCl ZINC000147023588 FC Annotated Anodyne CC(C)C(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O ZINC000147023781 FC Annotated Anodyne COCCn1cc(-c2c(C#N)nc3c(N4CCOCC4)nccn23)cn1 ZINC000147676287 FC Annotated Anodyne COCCN1CCN(c2ncnc(C)c2C#Cc2ccc(N)nc2)CC1 ZINC000148853782 FC Annotated Mild CCc1ncnc(N2CCN(C[C@@H](C)O)CC2)c1C#Cc1ccc(N)nc1 ZINC000148894714 FC Annotated Mild CCc1ncnc(N2CCN(C[C@H](C)O)CC2)c1C#Cc1ccc(N)nc1 ZINC000148894934 FC Annotated Mild CCc1ncnc(N2CCN(C3COC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000148900217 FC Annotated Mild CCc1ncnc(N2CCS(=O)(=O)CC2)c1C#Cc1ccc(N)nc1 ZINC000149267403 FC Annotated Mild CCc1ncnc(N2CCN(C(=O)NC)CC2)c1C#Cc1ccc(N)nc1 ZINC000149325834 FC Annotated Mild Cn1c([C@@H]2COC[C@@H]2O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O ZINC000149507868 FC Annotated Anodyne Cn1c([C@H]2COC[C@@H]2O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O ZINC000149508068 FC Annotated Anodyne Cn1c([C@@H]2COC[C@H]2O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O ZINC000149508276 FC Annotated Anodyne Cn1c([C@H]2COC[C@H]2O)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O ZINC000149508483 FC Annotated Anodyne OCCn1cc(-c2cnc3nnn(Cc4n[nH]c5ncccc45)c3n2)cn1 ZINC000149784923 FC Annotated Anodyne COc1cc2nc(C[C@H](N)C(=O)O)c(CP(=O)(O)O)nc2cc1OC ZINC000001533941 FC Annotated Anodyne NCCNc1ccc2c3c(nn2CCNCCO)-c2cnccc2C(=O)c13 ZINC000001538985 FC Annotated Clean O=C1c2ccccc2C(=O)c2c(NCCCO)nnc(NCCCO)c21 ZINC000001544917 FC Annotated Clean COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@@H]3OC(N)=O)C1=O ZINC000001578026 FC Annotated Mild CC1=C(N2CC2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CC[C@@H]3OC(N)=O ZINC000001578027 FC Annotated Mild COC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@](C)(O)[C@]12CCOC2=O ZINC000001620909 FC Annotated Anodyne CNS(=O)(=O)NN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000001626213 FC Annotated Anodyne C[C@H](OCc1ccccc1)C(=O)N1CCS(=O)(=O)N2CCC[C@@H]2C1=O ZINC000001629630 FC Annotated Anodyne C[C@H](OCc1ccccc1)C(=O)N1CCS(=O)(=O)N2CCC[C@H]2C1=O ZINC000001629634 FC Annotated Anodyne CC(=O)OCCOCNC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000001629705 FC Annotated Mild CO[C@H]1N([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br ZINC000001630680 FC Annotated Anodyne Nc1ccn(C[C@@H](CO)C[C@H](c2ccccc2)P(=O)(O)O)c(=O)n1 ZINC000001633690 FC Annotated Anodyne Nc1ccn(C[C@@H](CO)C[C@@H](c2ccccc2)P(=O)(O)O)c(=O)n1 ZINC000001633691 FC Annotated Anodyne Nc1ccn(C[C@H](CO)C[C@H](c2ccccc2)P(=O)(O)O)c(=O)n1 ZINC000001633692 FC Annotated Anodyne Nc1ccn(C[C@H](CO)C[C@@H](c2ccccc2)P(=O)(O)O)c(=O)n1 ZINC000001633693 FC Annotated Anodyne O=C1C=C(N2CCN(c3ncccn3)CC2)C(=O)c2c(O)ccc(O)c21 ZINC000001637343 FC Annotated Mild CCc1c(C)c(C#N)c(=S)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1C ZINC000001642588 FC Annotated Mild O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H]1Cc2ccccc2OC1=O ZINC000001642783 FC Annotated Anodyne CC(=O)OC[C@H]1OC(c2nnc(C)o2)=C[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000001646075 FC Annotated Anodyne COc1ccc(/C=C2\N=C3NC(=O)C(N4CCCCC4)=C(N)N3C2=O)cc1 ZINC000001649829 FC Annotated Anodyne CC1(C)OC[C@@H]2O[C@]3([C@@H]4OC(C)(C)O[C@H]4CO)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000001654949 FC Annotated Anodyne COC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)c1nnc2ccc(Cl)nn12 ZINC000001656613 FC Annotated Anodyne CCc1n[nH]c(=O)n1/N=C/c1ccc(/C=N/n2c(CC)n[nH]c2=O)cc1 ZINC000001656660 FC Annotated Mild Nn1c(S)nnc1COc1cccc(OCc2nnc(S)n2N)c1 ZINC000001660952 FC Annotated Anodyne NC(=O)CNC(=O)c1ccccc1SC(=O)NCC[n+]1ccccc1 ZINC000001661911 FC Annotated Anodyne C/C=C1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000001699714 FC Annotated Anodyne C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2[C@@H](O)CN3CC[C@@H](OC1=O)[C@@H]23 ZINC000001714844 FC Annotated Anodyne CCOC(=O)Cc1nc2sc(S(N)(=O)=O)nn2c1Br ZINC000001860399 FC Annotated Anodyne Cc1cc2ncc3c(=O)n(NS(=O)(=O)c4ccc(N)cc4)ccc3n2n1 ZINC000001860504 FC Annotated Anodyne OCCn1c(O)nc(=S)c2cc3c(=S)nc(O)n(CCO)c3nc21 ZINC000001862167 FC Annotated Bother Cn1c(=O)c2c(n(C)c1=O)n1c(SCc3ccccc3)nnc1n2C ZINC000001866627 FC Annotated Anodyne O=C(O)Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(P(=O)(O)O)cn12 ZINC000001909478 FC Annotated Anodyne CN(C)Cc1c(-c2nnc(-c3ccncc3)[nH]2)nnn1-c1nonc1N ZINC000001911765 FC Annotated Anodyne O=C(O)CN1C(=O)C(=O)N(CCc2ccc(Br)cc2)C1=O ZINC000001915473 FC Annotated Anodyne OCCN1CCN(c2nc3nonc3nc2NCc2ccccc2)CC1 ZINC000015068228 FC Annotated Anodyne CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(C3CC3)C2)CC1 ZINC000015075428 FC Annotated Anodyne CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(C3CC3)C2)CC1 ZINC000015075430 FC Annotated Anodyne C/C=C(\CO)C(=O)OCC1=CCN2CC[C@@H](OC(=O)/C=C(\C)CO)[C@H]12 ZINC000015147553 FC Annotated Anodyne O=C1c2cc3c(c(O)c2C(=O)c2c(O)ccc(O)c21)[C@]1(O)CCO[C@@H]1O3 ZINC000015147603 FC Annotated Clean C=C(C)[C@@H]1CC(=O)C[C@H]2O[C@](C)(CC2=O)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@@H](O)C1 ZINC000015165449 FC Annotated Mild C=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC[C@@]4(CCCC(C)(C)[C@]34O)[C@@]2(O)[C@H](O)C1 ZINC000015167038 FC Annotated Mild C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@]12CO[C@@]3(O)[C@@H](O)[C@H]1C(C)(C)CC[C@H]2O ZINC000015196280 FC Annotated Mild C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@]12CO[C@@]3(O)[C@@H](O)[C@H]1C(C)(C)CC[C@@H]2O ZINC000015196282 FC Annotated Mild O=C(CN1CCCC1=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)NC1=O ZINC000015203129 FC Annotated Anodyne O=C(CN1CCCC1=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)NC1=O ZINC000015203132 FC Annotated Anodyne CC(=O)OCC1=CC(=O)[C@]2([C@H](/C=C(C)/C=C/C=O)OC(C)=O)O[C@@H]2C1=O ZINC000015216429 FC Annotated Reactive CO[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@@](SC)([C@@H](C)O)NC1=O ZINC000015257998 FC Annotated Anodyne in-vitro CC1(C)[C@H](O)C[C@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000015263618 FC Annotated Anodyne CC1(C)[C@H](O)C[C@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@]4(C)O ZINC000015263620 FC Annotated Anodyne O=C(NCCCCCNc1n[n+]([O-])c2ccccc2[n+]1[O-])C(F)(F)F ZINC000150613266 FC Annotated Anodyne N[C@@H](C(=O)N[C@H](C=O)[C@H]1CC[C@@H](Cl)C(C(=O)O)=N1)c1ccccc1 ZINC000015529317 FC Annotated Reactive N[C@@H](C(=O)N[C@H](C=O)[C@H]1CC[C@H](Cl)C(C(=O)O)=N1)c1ccccc1 ZINC000015529318 FC Annotated Reactive OC[C@H]1N[C@H]([C@H](O)CCCC[C@H]2CCC[C@@]3(CCCO3)O2)[C@@H](O)[C@@H]1O ZINC000015768564 FC Annotated Anodyne CN1CCN(C(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)CC1 ZINC000015786737 FC Annotated Anodyne COC1=CC=C/C(=C\NNC(=O)CNC(=O)/C=C\c2ccccc2)C1=O ZINC000015837014 FC Annotated Reactive O=C(CNC(=O)c1ccco1)NN/C=C1\C=C(Br)C=CC1=O ZINC000015880031 FC Annotated Reactive CCCc1c(C(=O)NNC(C)=C2C=CC(=O)C=C2)nnn1-c1nonc1N ZINC000015885027 FC Annotated Reactive Cn1c(=O)c2c(O)c(/C=N/c3ccc(F)cc3)c(=O)n(C)c2n(C)c1=O ZINC000015952280 FC Annotated Mild COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@@]23C[C@@H](CO)N=C3N1 ZINC000015952324 FC Annotated Anodyne COC1=C/C(=C/NNC(=O)C(=O)NCc2ccco2)C=C(Cl)C1=O ZINC000015952530 FC Annotated Reactive CCOC1=CC=C/C(=C\NNC(=S)NCCN2CCOCC2)C1=O ZINC000015953114 FC Annotated Mild COCc1cc(C)nc(OCC(=O)NN/C=C2\C=CC=CC2=O)c1C#N ZINC000015953271 FC Annotated Reactive COC1=C/C(=C/NNC(=O)CC(=O)NCCc2ccccc2)C=CC1=O ZINC000015961639 FC Annotated Reactive COCc1cc(C)nc(OCC(=O)NN/C=C2\C=CC(=O)C=C2O)c1C#N ZINC000015962058 FC Annotated Reactive O=C(CNC(=O)c1cccc(F)c1)NN/C=C1/C=CC(=O)C([N+](=O)[O-])=C1 ZINC000015973797 FC Annotated Reactive O=C(CNC(=O)c1ccc(F)cc1)NN/C=C1/C=CC(=O)C([N+](=O)[O-])=C1 ZINC000015973811 FC Annotated Reactive CCOC1=C/C(=C/NNC(=O)C(=O)NC2CC2)C=C(Br)C1=O ZINC000015973854 FC Annotated Reactive O=C1C=C/C(=C\NNC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)C(O)=C1 ZINC000015974024 FC Annotated Reactive O=C1C=C/C(=C\NNC(=O)CNC(=O)[C@H]2COc3ccccc3O2)C(O)=C1 ZINC000015974025 FC Annotated Reactive CCN(CC)Cc1c(C(=O)N/N=C\c2ccco2)nnn1-c1nonc1N ZINC000015985649 FC Annotated Reactive CC1(C)S[C@H]([C@@H](C=O)NC(=O)[C@H](N)c2ccccc2)N[C@H]1C(=O)O ZINC000016051985 FC Annotated Mild CC1(C)S[C@H]([C@@H](C=O)NC(=O)COc2ccccc2)N[C@H]1C(=O)O ZINC000016051987 FC Annotated Mild Cc1ncc(COP(=O)(O)O)c(CNCCCCNC(=N)N)c1O ZINC000016052261 FC Annotated Anodyne C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H](O)CN3CC[C@@H](OC1=O)[C@@H]23 ZINC000016927194 FC Annotated Anodyne C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H](O)CN3CC[C@@H](OC1=O)[C@@H]23 ZINC000016927198 FC Annotated Anodyne C/C=C1\C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@](C)(O)[C@H](C)[C@@H]1O)[C@H]23 ZINC000016930731 FC Annotated Anodyne C/C=C1\C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@](C)(O)[C@H](C)[C@H]1O)[C@H]23 ZINC000016930736 FC Annotated Anodyne COc1cc2c(C)c(CC(=O)N3CCN(C)CC3)c(=O)oc2c(C=O)c1O ZINC000165117988 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12[C@@H](O)CC[C@@](C)(CO[C@@H]1O)[C@H]2C[C@H]3O ZINC000165975090 FC Annotated Mild CCNC[C@@H](Nc1ncnc2c1=CCCC=2C(N)=O)c1cccc(F)c1 ZINC000166935195 FC Annotated Anodyne COc1cc(O)c(C=O)c2oc(=O)c(CC(=O)NCCN(C)C)c(C)c12 ZINC000167036644 FC Annotated Anodyne CN(C[C@@H](Nc1ncnc2c1=CCCC=2C(N)=O)c1ccccc1)C1CC1 ZINC000167070715 FC Annotated Anodyne COc1cc2c(C)c(CC(=O)NCCN(C)C)c(=O)oc2c(C=O)c1O ZINC000167946719 FC Annotated Anodyne CC(=O)[C@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@@]41Br)C21OCCO1 ZINC000169293788 FC Annotated Anodyne CC(=O)[C@@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@@]41Br)C21OCCO1 ZINC000169293789 FC Annotated Anodyne CC(=O)[C@]12[C@@H]3[C@H]4[C@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@@]41Br)C21OCCO1 ZINC000169293790 FC Annotated Anodyne CC(=O)[C@@]12[C@@H]3[C@H]4[C@H]1[C@@H]1[C@H]([C@@H]3C3(OCCO3)[C@@]41Br)C21OCCO1 ZINC000169293791 FC Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000169296939 FC Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000169296940 FC Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169297336 FC Annotated Anodyne COC(=O)[C@]1(CCSC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169297337 FC Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O[C@@H](C)CCC)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1O[C@]1(C)[C@H]2O ZINC000169300265 FC Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O[C@H](C)CCC)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1O[C@]1(C)[C@H]2O ZINC000169300266 FC Annotated Mild CC(=O)O[C@H]1[C@@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@@H]4O[C@@]41C)O[C@H]23 ZINC000169301743 FC Annotated Anodyne CC(=O)O[C@H]1[C@@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@H]4O[C@]14C)O[C@H]23 ZINC000169301745 FC Annotated Anodyne N=C1C2=C3CCCN3[C@@](O)(N3CCOCC3)[C@@H]2NC(=O)N1c1ccccc1 ZINC000169302228 FC Annotated Anodyne O=C1NC(c2ccccc2)=N[C@@H]2C1=C1CCCN1[C@@]2(O)N1CCOCC1 ZINC000169305116 FC Annotated Anodyne O=C1NC(c2ccccc2)=N[C@H]2C1=C1CCCN1[C@@]2(O)N1CCOCC1 ZINC000169305117 FC Annotated Anodyne N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@@H]1NC(=O)c1ccccc1 ZINC000169305889 FC Annotated Reactive COC(=O)Cc1c2c3c(cc(O)c(O)c3oc1=O)C(=O)O[C@@H]2C(=O)OC ZINC000169308865 FC Annotated Clean C=C1[C@@H]2[C@@H](O)C[C@H]3[C@]4(C)CCC[C@](C)(CO)[C@H]4C[C@@H](O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000169313022 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@@H](O)[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O ZINC000169313023 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CC[C@@H](O)[C@](C)(CO)[C@H]1C[C@H]3O ZINC000169313024 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(CO)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000169313031 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC(=O)[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](O)[C@](C)(CO)[C@H]1C[C@H]3O ZINC000169313034 FC Annotated Mild C[C@@H]1COCCN1S(=O)(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000169315740 FC Annotated Anodyne C[C@H]1COCCN1S(=O)(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000169315741 FC Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc(N(C)C(=O)C(=O)OCC)c1=O ZINC000169316487 FC Annotated Anodyne CN(CCOS(C)(=O)=O)[P@@]1(=O)OCC[C@@H](OO)N1CCCl ZINC000169319560 FC Annotated Reactive CN(CCOS(C)(=O)=O)[P@]1(=O)OCC[C@@H](OO)N1CCCl ZINC000169319562 FC Annotated Reactive CS(=O)(=O)OCCN1[C@@H](OO)CCO[P@@]1(=O)NCCCl ZINC000169319575 FC Annotated Reactive CS(=O)(=O)OCCN1[C@H](OO)CCO[P@@]1(=O)NCCCl ZINC000169319579 FC Annotated Reactive O=S(=O)(N/N=C/c1cc(N2CCOCC2)cc[n+]1[O-])c1ccccc1 ZINC000169319645 FC Annotated Mild O=C(O)C(=O)Nc1cc(C[S@@](=O)O)cc(NC(=O)C(=O)O)c1Cl ZINC000169319926 FC Annotated Anodyne CNC(=O)c1cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O ZINC000169320162 FC Annotated Reactive CC(C)C[C@@H](CN1CC(=O)N[C@H](CC(C)C)C1)NC(=O)[C@@H]1CC(=O)CN1 ZINC000169320792 FC Annotated Anodyne COC1CCN(S(=O)(=O)c2cc(C)c(S(N)(=O)=O)c(C)c2)CC1 ZINC000169322160 FC Annotated Anodyne CCN(C(=O)N1C[C@H](N)[C@H](C(=O)O)[C@@H]1CNC(=O)C(F)(F)F)C(C)C ZINC000169322286 FC Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@H](CN(C)C)[C@H]2[C@H](O)[C@]2(C)C(=O)C[C@H](N(C)C)[C@@H]12 ZINC000169322682 FC Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@H](CN(C)C)[C@H]2[C@H](O)[C@]2(C)C(=O)C[C@@H](N(C)C)[C@@H]12 ZINC000169322684 FC Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@H](CN(C)C)[C@H]2[C@H](O)[C@]2(C)C(=O)C[C@H](N(C)C)[C@@H]12 ZINC000169322686 FC Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@H](CN(C)C)[C@H]2[C@H](O)[C@]2(C)C(=O)C[C@@H](N(C)C)[C@@H]12 ZINC000169322688 FC Annotated Anodyne C[C@@H]1C(=O)c2cc(N)c(N3CCN(C)CC3)cc2N(C2CC2)S1(=O)=O ZINC000169323859 FC Annotated Anodyne C[C@H]1C(=O)c2cc(N)c(N3CCN(C)CC3)cc2N(C2CC2)S1(=O)=O ZINC000169323860 FC Annotated Anodyne COC(=O)c1ncn([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1CC#N ZINC000169324363 FC Annotated Mild COC(=O)c1c(CC#N)ncn1[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000169324365 FC Annotated Mild C=C(CO)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000169326097 FC Annotated Mild CO[C@@]12C[C@@H]3[C@H]([C@@H]1NC(=O)N2)N(C)C(=O)c1ccc(Br)n13 ZINC000169326242 FC Annotated Anodyne CN1CCN(c2cc3c(cc2N)C(=O)CS(=O)(=O)N3C2CC2)CC1 ZINC000169327260 FC Annotated Anodyne N#C/N=C(\NCCCNc1nc(N)n[nH]1)NCCSc1ccccc1 ZINC000169327584 FC Annotated Mild CC(=O)O[C@H]1[C@@H]2Oc3nc(=N)ccn3[C@@H]2O[C@@H]1COC(=O)C(C)(C)C ZINC000169328571 FC Annotated Anodyne C[C@]1(C(=O)O)N=C2c3ncn(Cc4ccccc4)c3N=CN2[C@](C)(O)[C@@H]1O ZINC000169332718 FC Annotated Anodyne CNC(=O)c1cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O ZINC000169336162 FC Annotated Reactive CC(=O)Nc1cc(N)cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169336172 FC Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(OCC(=O)O)c2)C(=O)OC1=O ZINC000169336538 FC Annotated Reactive CC(=O)NCc1cccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169336560 FC Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(OCC(=O)O)cc2)C(=O)OC1=O ZINC000169336613 FC Annotated Reactive Cc1cc(C)n2nc(C(=O)NS(=O)(=O)c3ccccc3CC#N)nc2n1 ZINC000169342509 FC Annotated Mild CC(C)c1oc(=O)cc2c1[C@@H](O)[C@@H]1OC(=O)[C@@]3(C)[C@@H]1[C@@]2(C)[C@@H]1O[C@@H]1[C@@H]3O ZINC000169344169 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[C@H](O)[C@@H]1OC(=O)[C@@]3(C)[C@@H]1[C@@]2(C)[C@@H]1O[C@@H]1[C@@H]3O ZINC000169344170 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)[C@@H]1[C@@]2(C)[C@@H]1O[C@@H]1[C@@H]3O ZINC000169344172 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[C@H](O)[C@H]1OC(=O)[C@@]3(C)[C@@H]1[C@@]2(C)[C@@H]1O[C@@H]1[C@@H]3O ZINC000169344173 FC Annotated Anodyne CCOC(=O)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34 ZINC000169344453 FC Annotated Anodyne CCOC(=O)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34 ZINC000169344455 FC Annotated Anodyne COc1ccccc1/C=c1/[nH]c(=O)/c(=C\c2ccccc2OC)n(C)c1=O ZINC000169348737 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CCC2=O ZINC000169350104 FC Annotated Mild COc1cnc2c(C(=O)NCCO)cn(Cc3ncnc(OC)c3C)c2c1 ZINC000169353752 FC Annotated Anodyne O=C(C[C@H]1C/C=C/CCCC(=O)OC[C@H]2CCCN2C1=O)NCCO ZINC000169354854 FC Annotated Anodyne COC(C)(C)[C@@H]1C=C2C(=O)[C@H]3O[C@H]3[C@@H]3C=C[C@H]([C@@H]2C(=O)/C1=C/CO)[C@H]3O ZINC000169356175 FC Annotated Mild COC(C)(C)[C@@H]1C=C2C(=O)[C@H]3O[C@H]3[C@@H]3C=C[C@@H]([C@@H]2C(=O)/C1=C/CO)[C@H]3O ZINC000169356177 FC Annotated Mild C#CCN[C@@H]1[C@@H](O)[C@@]2(C)[C@@]3(CO3)[C@H]1O[C@@H]1C=C(C)CC[C@@]12COC(C)=O ZINC000169360557 FC Annotated Mild C#CCN[C@@H]1[C@@H](O)[C@]2(C)[C@@]3(COC(C)=O)CCC(C)=C[C@@H]3O[C@@H]1[C@]21CO1 ZINC000169360558 FC Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@H](NCCO)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000169360572 FC Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](NCCO)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000169360573 FC Annotated Anodyne CN1C(=O)[C@@H]2[C@@H](N=C(N3CC[C@@H](N)C3)N2Cc2ccccc2)N(C)C1=O ZINC000169362278 FC Annotated Anodyne CN1C(=O)[C@H]2[C@@H](N=C(N3CC[C@@H](N)C3)N2Cc2ccccc2)N(C)C1=O ZINC000169362279 FC Annotated Anodyne CN1C(=O)[C@@H]2[C@H](N=C(N3CC[C@@H](N)C3)N2Cc2ccccc2)N(C)C1=O ZINC000169362280 FC Annotated Anodyne CN1C(=O)[C@H]2[C@H](N=C(N3CC[C@@H](N)C3)N2Cc2ccccc2)N(C)C1=O ZINC000169362281 FC Annotated Anodyne CCOP(=O)(C[C@@H]1C[C@@H](N2C=N[C@@H]3C(N)=NC=N[C@@H]32)ON1C)OCC ZINC000169362886 FC Annotated Anodyne CCOP(=O)(C[C@H]1C[C@@H](N2C=N[C@@H]3C(N)=NC=N[C@@H]32)ON1C)OCC ZINC000169362887 FC Annotated Anodyne CCOP(=O)(C[C@@H]1C[C@H](N2C=N[C@@H]3C(N)=NC=N[C@@H]32)ON1C)OCC ZINC000169362889 FC Annotated Anodyne CCOP(=O)(C[C@H]1C[C@H](N2C=N[C@@H]3C(N)=NC=N[C@@H]32)ON1C)OCC ZINC000169362891 FC Annotated Anodyne O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(CN3CCNCC3)[C@@H]2F)C1=O ZINC000169362961 FC Annotated Mild C[C@@H]1CC(=O)[C@]2(O)[C@@](O)(CC[C@@]34O[C@@]32C(=O)c2cccc(O)c2[C@@H]4O)C1 ZINC000169363699 FC Annotated Anodyne C[C@H]1CC(=O)[C@]2(O)[C@@](O)(CC[C@@]34O[C@@]32C(=O)c2cccc(O)c2[C@@H]4O)C1 ZINC000169363700 FC Annotated Anodyne C[C@@H]1CC(=O)[C@@]2(O)[C@@](O)(CC[C@@]34O[C@@]32C(=O)c2cccc(O)c2[C@@H]4O)C1 ZINC000169363701 FC Annotated Anodyne C[C@H]1CC(=O)[C@@]2(O)[C@@](O)(CC[C@@]34O[C@@]32C(=O)c2cccc(O)c2[C@@H]4O)C1 ZINC000169363702 FC Annotated Anodyne COCC1=C2/C(=C/[C@@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@@H]2OC(C)=O)OC1=O ZINC000169363732 FC Annotated Anodyne C/C=C/C(=O)OCC1=C[C@@H](O)[C@@H]2O[C@@](C)(OC)[C@@](C)(OC)O[C@@H]2C1=O ZINC000169363780 FC Annotated Mild C/C=C/C(=O)OCC1=C[C@H](O)[C@@H]2O[C@@](C)(OC)[C@@](C)(OC)O[C@@H]2C1=O ZINC000169363781 FC Annotated Mild C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCO)CC(=O)O1 ZINC000169371587 FC Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)CCO)CC(=O)O1 ZINC000169371588 FC Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCN)CC(=O)O1 ZINC000169371611 FC Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)CCN)CC(=O)O1 ZINC000169371612 FC Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000169373008 FC Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000169373009 FC Annotated Anodyne CC1(C)[C@@H](O)C[C@@H]2[C@@]1(O)[C@@H](O)C[C@]13C[C@@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@H]3O ZINC000169373119 FC Annotated Anodyne CC1(C)[C@H](O)C[C@@H]2[C@@]1(O)[C@@H](O)C[C@]13C[C@@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@H]3O ZINC000169373120 FC Annotated Anodyne CC1(C)[C@@H](O)C[C@H]2[C@@]1(O)[C@@H](O)C[C@]13C[C@@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@H]3O ZINC000169373121 FC Annotated Anodyne CC1(C)[C@H](O)C[C@H]2[C@@]1(O)[C@@H](O)C[C@]13C[C@@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@H]3O ZINC000169373122 FC Annotated Anodyne C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](OC1=O)[C@@H](O)[C@@H]23 ZINC000169402351 FC Annotated Anodyne CC[C@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000169555907 FC Annotated Anodyne C=C[C@]1(C)C=C2[C@@H](O)[C@@]3(O)OC[C@@]4(CCCC(C)(C)[C@@]43O)[C@@]2(O)[C@H](O)C1 ZINC000169642852 FC Annotated Mild CC1=CC(=O)[C@]2(O)OC3=C4[C@]5(CO)[C@@H](CC(=O)O[C@@H]5C[C@H]1[C@@]42C)[C@@H](C)C3=O ZINC000169642856 FC Annotated Mild C=C(C=O)[C@@H]1C[C@@H]2O[C@H](O)[C@@]34[C@@H](O)CCC(C)(C)[C@H]3C(=O)[C@@H](O)[C@@H](C1)[C@@H]24 ZINC000169652528 FC Annotated Reactive C=C1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@]2(O)[C@@H](O)C(C)(C)[C@@H](O)C[C@H]12)C[C@@]3(C)O ZINC000169655489 FC Annotated Mild C=C1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]1/C=C/[C@@]1(O)C(=O)OC[C@@H]1O ZINC000169660300 FC Annotated Mild C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2=O ZINC000169668951 FC Annotated Mild N#C[C@@H]1C(=N)OC2=C(C(=O)CCC2)[C@]12C(=O)N(CC(N)=O)c1ccccc12 ZINC000169688766 FC Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)CCC2)[C@]12C(=O)N(CC(N)=O)c1ccccc12 ZINC000169688767 FC Annotated Mild CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)NC2CCCCC2)[C@H]3C1=O ZINC000169689937 FC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2CCCCC2)[C@H]3C1=O ZINC000169689938 FC Annotated Anodyne COC(=O)[C@@H]1C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(O)c1 ZINC000169690052 FC Annotated Anodyne COC(=O)[C@H]1C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(O)c1 ZINC000169690053 FC Annotated Anodyne COC(=O)[C@@H]1C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(O)c1 ZINC000169690054 FC Annotated Anodyne COC(=O)[C@H]1C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(O)c1 ZINC000169690055 FC Annotated Anodyne O=C1C=C(O)/C(=C/NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)C=C1[N+](=O)[O-] ZINC000169691948 FC Annotated Mild O=C1NC(=O)[C@@H]2C1=[N+](Cc1ccccc1)N[C-]2c1ccc([N+](=O)[O-])cc1 ZINC000169692276 FC Annotated Bother O=C1NC(=O)[C@H]2C1=[N+](Cc1ccccc1)N[C-]2c1ccc([N+](=O)[O-])cc1 ZINC000169692277 FC Annotated Bother Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(C)(=O)=O)c1 ZINC000169697491 FC Annotated Mild COc1cc(-c2cc(C(=O)N3CCC(O)CC3)c3c(N)ncnn23)ccn1 ZINC000169704060 FC Annotated Anodyne N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCC[C@@H](O)C2)o1 ZINC000169714630 FC Annotated Mild N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCC[C@H](O)C2)o1 ZINC000169714631 FC Annotated Mild N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCOCC2)o1 ZINC000169714634 FC Annotated Mild CN1CCN(Cc2ccc(CNCCN3CCN=C3C(C#N)C#N)o2)CC1 ZINC000169714637 FC Annotated Mild N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCC(O)CC2)o1 ZINC000169714638 FC Annotated Mild O=c1n(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c2n1CCC2 ZINC000169714875 FC Annotated Bother C=c1[nH]n(C(=O)c2ccccc2O)c(=O)/c1=C/c1ccc(O)c(OC)c1 ZINC000169715644 FC Annotated Anodyne C=c1[nH]n(C(=O)c2ccccc2O)c(=O)/c1=C/c1ccc(OC)c(OC)c1 ZINC000169715657 FC Annotated Anodyne O=c1n(CN2CCN(c3cccc4[nH]cnc34)CC2)c(O)c2n1CCC2 ZINC000169717629 FC Annotated Anodyne CN[C@@H]1C(=O)O[C@@](CCc2ccccc2)(C(=O)NC[C@@H]2CCCO2)C1=O ZINC000169718178 FC Annotated Anodyne CN[C@H]1C(=O)O[C@@](CCc2ccccc2)(C(=O)NC[C@@H]2CCCO2)C1=O ZINC000169718179 FC Annotated Anodyne CN[C@@H]1C(=O)O[C@](CCc2ccccc2)(C(=O)NC[C@@H]2CCCO2)C1=O ZINC000169718180 FC Annotated Anodyne CN[C@H]1C(=O)O[C@](CCc2ccccc2)(C(=O)NC[C@@H]2CCCO2)C1=O ZINC000169718181 FC Annotated Anodyne O=c1n(CCCN2CCN(CCO)CC2)c(O)c2n1Cc1ccccc1C2 ZINC000169718926 FC Annotated Anodyne C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2c(OC)cccc12 ZINC000169719833 FC Annotated Anodyne O=C1C2=N[C@@H]3C[C@]45C(=C[C@@H](O)[C@H]([C@@H]4O)[N+]4=C(c6c(c[nH]c61)CC4)[C@@H]25)S3 ZINC000169723185 FC Annotated Anodyne O=C1C2=N[C@@H]3C[C@]45C(=C[C@@H](O)[C@@H]([C@@H]4O)[N+]4=C(c6c(c[nH]c61)CC4)[C@@H]25)S3 ZINC000169723186 FC Annotated Anodyne O=C1C2=N[C@@H]3C[C@]45C(=C[C@@H](O)[C@H]([C@@H]4O)[N+]4=C(c6c(c[nH]c61)CC4)[C@H]25)S3 ZINC000169723187 FC Annotated Anodyne O=C1C2=N[C@@H]3C[C@]45C(=C[C@@H](O)[C@@H]([C@@H]4O)[N+]4=C(c6c(c[nH]c61)CC4)[C@H]25)S3 ZINC000169723188 FC Annotated Anodyne COCOn1c(=O)/c(=C/c2ccc(F)cc2)[nH]/c(=C/c2ccccc2)c1=O ZINC000169727838 FC Annotated Anodyne O=S(=O)(Nc1cccc(B(O)O)c1)c1ccc(-c2ccon2)s1 ZINC000169879901 FC Annotated Reactive COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]12 ZINC000017104442 FC Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@H]1[C@H]1[C@H]2[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017104444 FC Annotated Anodyne CO[C@@H]1N([C@@H]2C[C@@H](F)[C@@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Br ZINC000017215585 FC Annotated Anodyne CO[C@@H]1N([C@H]2C[C@@H](F)[C@@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Br ZINC000017215591 FC Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCn1cnc([N+](=O)[O-])n1 ZINC000017215831 FC Annotated Bother CCOC(=O)C[C@@H](NC(=O)c1nc[nH]c1/N=N/N(C)C)C(=O)OCC ZINC000017217871 FC Annotated Clean CCOC(=O)C[C@H](NC(=O)c1nc[nH]c1/N=N/N(C)C)C(=O)OCC ZINC000017217876 FC Annotated Clean CO[C@@]1(C)/C=N/CC(C)(C)NC(=O)[C@@](C)(OC)/C=N/CC(C)(C)NC1=O ZINC000017218292 FC Annotated Anodyne CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1C ZINC000017252324 FC Annotated Mild CC(=O)OC[C@H]1OC(c2nnc(C)o2)=C[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017259377 FC Annotated Anodyne CCOC(=O)/C=C(/C(=O)OCC)n1cnc2c(O)nc(NC(C)=O)nc21 ZINC000017261279 FC Annotated Anodyne CC1(C)O[C@@H]2O[C@H]3[C@H](O[C@H](c4ccccc4)O[C@@H]3CNCCO)[C@@H]2O1 ZINC000017289807 FC Annotated Anodyne CC1(C)O[C@H]2[C@H]3O[C@H](c4ccccc4)O[C@H](CNCCO)[C@H]3O[C@@H]2O1 ZINC000017289810 FC Annotated Anodyne CC1(C)O[C@@H]2O[C@@H]3[C@H](O[C@H](c4ccccc4)O[C@@H]3CNCCO)[C@@H]2O1 ZINC000017289813 FC Annotated Anodyne CC1(C)O[C@H]2[C@H]3O[C@H](c4ccccc4)O[C@H](CNCCO)[C@@H]3O[C@@H]2O1 ZINC000017289815 FC Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(C(=O)OCC)(C(=O)OCC)[C@@H]1[C@@H](C)CC ZINC000017354515 FC Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(C(=O)OCC)(C(=O)OCC)[C@H]1[C@@H](C)CC ZINC000017354516 FC Annotated Anodyne C[C@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2[C@@H](C)O1 ZINC000018040325 FC Annotated Bother Cc1c(N2C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000018085375 FC Annotated Anodyne O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NC[C@@H]1COc2ccccc2O1 ZINC000018088396 FC Annotated Anodyne CN(C)c1cnn(CC(=O)N2CCC[C@@H](OCc3ccccn3)C2)c(=O)c1 ZINC000019145410 FC Annotated Anodyne CN(C)c1cnn(CC(=O)N2CCC[C@H](OCc3ccccn3)C2)c(=O)c1 ZINC000019145413 FC Annotated Anodyne COc1cc(OC)nc(C2CCN(C(=O)CN3CCOC3=O)CC2)n1 ZINC000019220624 FC Annotated Anodyne CC(C)OC(=O)CC12CN3CN(C1)CC(CC(=O)OC(C)C)(C3)C2=O ZINC000019327848 FC Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1C1N2CC3(C(C)C)CN1CC(C(C)C)(C2)C3=O ZINC000019329875 FC Annotated Anodyne O=C1CN(C(=O)C2CCC3(CC2)CNC(=O)c2ccccc2O3)CCN1 ZINC000019374732 FC Annotated Anodyne CN(Cc1nc(Cc2ccccc2F)no1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000019606755 FC Annotated Anodyne CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CN3CCOC3=O)CC2)[C@H]1O ZINC000019635238 FC Annotated Anodyne Cc1noc(C)c1NC(=O)Cn1ncc(N2CCCN(C)CC2)cc1=O ZINC000019741076 FC Annotated Anodyne CCN1CCN(C2(C(=O)NCCC(=O)OC)Cc3ccccc3C2)CC1 ZINC000019745940 FC Annotated Anodyne OCCN1CCN(c2nc3nonc3nc2NCc2cccs2)CC1 ZINC000019789026 FC Annotated Anodyne CN(C)c1cnn(CC(=O)NCc2nc(-c3ccccc3)no2)c(=O)c1 ZINC000019789974 FC Annotated Anodyne Cn1ncc(NC(=O)Cn2nnc(C3(c4ccccc4)CCOCC3)n2)n1 ZINC000019794697 FC Annotated Anodyne O=c1ccc(=O)n(Cc2nc([C@]3(c4ccc(F)cc4)CCOC3)no2)[nH]1 ZINC000019794936 FC Annotated Anodyne O=c1ccc(=O)n(Cc2nc([C@@]3(c4ccc(F)cc4)CCOC3)no2)[nH]1 ZINC000019794937 FC Annotated Anodyne CC(C)Cn1c(CN(C)CCN2CCOCC2)cnc1S(C)(=O)=O ZINC000019838637 FC Annotated Anodyne O=C(CCCn1nnnc1CN1CCOCC1)N1CCc2ccccc2C1 ZINC000019840688 FC Annotated Anodyne CCOC(=O)CN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 ZINC000019841662 FC Annotated Anodyne COC(=O)c1cc(NC(=O)c2c(OC)cccc2OC)c(B(O)O)s1 ZINC000195170796 FC Annotated Reactive CC(=O)[C@@]12[C@H]3[C@@H]4[C@H]1[C@H]1[C@H]([C@@H]3[C@]4(Br)C13OCCO3)C21OCCO1 ZINC000195234439 FC Annotated Anodyne CC(=O)[C@]12[C@H]3[C@@H]4[C@H]1[C@H]1[C@H]([C@@H]3[C@]4(Br)C13OCCO3)C21OCCO1 ZINC000195234541 FC Annotated Anodyne CC(=O)[C@]12[C@@H]3[C@H]4[C@H]([C@H]5[C@H]1[C@H]3[C@@]5(Br)C41OCCO1)C21OCCO1 ZINC000195234555 FC Annotated Anodyne CC(=O)[C@@]12[C@@H]3[C@H]4[C@H]([C@H]5[C@H]1[C@H]3[C@@]5(Br)C41OCCO1)C21OCCO1 ZINC000195234566 FC Annotated Anodyne CC(C)CS(=O)(=O)N1N=Cc2sc(Br)cc2B1O ZINC000195302883 FC Annotated Anodyne C=CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]2C1=O)[C@H]1[C@H]2C(=O)N(CC=C)C(=O)[C@@H]2[C@H]31 ZINC000195396593 FC Annotated Mild C=CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@H]1[C@H]2C(=O)N(CC=C)C(=O)[C@@H]2[C@H]31 ZINC000195396601 FC Annotated Mild C=CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(CC=C)C(=O)[C@@H]3[C@H]12 ZINC000195396608 FC Annotated Mild COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@@H]1[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]12 ZINC000195398693 FC Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 ZINC000195428818 FC Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)NC[C@@H]1COc2ccccc2O1 ZINC000195428826 FC Annotated Anodyne CC(=O)O[C@H]1[C@@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@@H]4O[C@@]41C)O[C@@H]23 ZINC000195437599 FC Annotated Anodyne CC(=O)O[C@H]1[C@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@@H]4O[C@@]41C)O[C@@H]23 ZINC000195437604 FC Annotated Anodyne CC(=O)O[C@H]1[C@@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@H]4O[C@]14C)O[C@@H]23 ZINC000195437610 FC Annotated Anodyne CC(=O)O[C@H]1[C@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@H]4O[C@]14C)O[C@@H]23 ZINC000195437615 FC Annotated Anodyne C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OC[C@@H]2[C@@H](O)CN3CC[C@@H](OC1=O)[C@@H]23 ZINC000195459747 FC Annotated Anodyne COC(=O)C1=C(C)N[C@]2(O)C=CC(=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@]132 ZINC000195476526 FC Annotated Mild COC(=O)C1=C(C)N[C@]2(O)C=CC(=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@]132 ZINC000195476529 FC Annotated Mild CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@@]1(C#N)[C@]21C(=O)N(C(C)C)N=C1C ZINC000195499842 FC Annotated Mild CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@@]3(C(=O)N(C(C)C)N=C3C)[C@]12C#N ZINC000195499845 FC Annotated Mild CN1C(=O)[C@]2(c3ccccc31)[C@@H]1C[C@@H]3[C@@H](CO1)[C@@H]1[C@@H]2[C@@]3(CO)CN1C#N ZINC000195502607 FC Annotated Anodyne CN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C[C@@H]3[C@@H](CO1)[C@@H]1[C@@H]2[C@@]3(CO)CN1C#N ZINC000195502610 FC Annotated Anodyne CN1C(=O)[C@]2(c3ccccc31)[C@H]1C[C@@H]3[C@@H](CO1)[C@@H]1[C@@H]2[C@@]3(CO)CN1C#N ZINC000195502612 FC Annotated Anodyne CN1C(=O)[C@@]2(c3ccccc31)[C@H]1C[C@@H]3[C@@H](CO1)[C@@H]1[C@@H]2[C@@]3(CO)CN1C#N ZINC000195502615 FC Annotated Anodyne C/C=C1\C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@](C)(O)[C@@H](C)[C@@H]1O)[C@H]23 ZINC000195514979 FC Annotated Anodyne C/C=C1\C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@](C)(O)[C@@H](C)[C@H]1O)[C@H]23 ZINC000195514981 FC Annotated Anodyne COC(=O)[C@@]12C3C4(C#N)[C@H]1C1[C@H]4[C@]3(C(=O)OC)C12C(=O)N(C(C)C)C(C)C ZINC000195524803 FC Annotated Mild C[C@@H](O)CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)O ZINC000196467872 FC Annotated Anodyne Nc1ncnc2c1cc(Cl)n2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O ZINC000196697283 FC Annotated Anodyne in-vitro COc1cc([C@H]2CS[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O2)cc(OC)c1O ZINC000197974564 FC Annotated Anodyne C[C@@H]1C[C@H](O)CC(C)(C)[C@H]1CC[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000198009214 FC Annotated Anodyne CON1C(=O)[C@@]2(C[C@@H]3N=C(C(C)=O)[C@H]4[C@@H]3CO[C@@H]2[C@@H]4O)c2ccccc21 ZINC000198837786 FC Annotated Anodyne CC(C)CC(=O)c1c(O)cc(O)c2c1O[C@]1(C2)OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000199139852 FC Annotated Anodyne O=S1(=O)C[C@@H](N2CC=CC2)CN1Cc1cn(Cc2ccccc2)nn1 ZINC000199211804 FC Annotated Anodyne O=S1(=O)C[C@H](N2CC=CC2)CN1Cc1cn(Cc2ccccc2)nn1 ZINC000199211823 FC Annotated Anodyne COC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000199225752 FC Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(OC)c2)[C@@H](CO)O1 ZINC000199225806 FC Annotated Anodyne COC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2OC)[C@@H](CO)O1 ZINC000199226447 FC Annotated Anodyne CC(C)NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1ccco1 ZINC000199236442 FC Annotated Anodyne CC(C)NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1ccco1 ZINC000199236458 FC Annotated Anodyne COCc1cc(N2CCNC[C@@H]2C)ccc1N1CCS(=O)(=O)CC1 ZINC000199269206 FC Annotated Anodyne COCc1cc(N2CCNC[C@H]2C)ccc1N1CCS(=O)(=O)CC1 ZINC000199270083 FC Annotated Anodyne C[C@H]1Cn2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2C(=O)N1 ZINC000199355031 FC Annotated Anodyne C[C@@H]1Cn2cnc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2C(=O)N1 ZINC000199355055 FC Annotated Anodyne CN(CCO)C(=O)c1nc[nH]c1C(=O)N1CCN(c2ccccc2)CC1 ZINC000199355179 FC Annotated Anodyne CCC(=O)[C@]12O[C@H]1[C@H]1OC[C@@H]2[C@@H](N)C[C@@]12C(=O)N(OC)c1ccccc12 ZINC000199518879 FC Annotated Anodyne Cc1cc(=O)c2c(O)c3c(cc2o1)C(=O)C(=O)C(CN(C)CC(=O)O)=C3O ZINC000199661457 FC Annotated Mild CC1=C(C(=O)O)N[C@H]([C@H](NC(=O)Cc2cccs2)C(=O)O)SC1 ZINC000002043394 FC Annotated Anodyne in-vivo Cc1ncc(COP(=O)(O)O)c(CN[C@H](C)P(=O)(O)O)c1O ZINC000002047750 FC Annotated Anodyne in-vivo Cc1ncc(COP(=O)(O)O)c(CN[C@@H](C)P(=O)(O)O)c1O ZINC000002047885 FC Annotated Anodyne in-vitro COc1cc([C@@H]2C(C#N)=C(N)Oc3c2nc(O)[nH]c3=O)cc(OC)c1OC ZINC000002461774 FC Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)Oc3c2nc(O)[nH]c3=O)cc(OC)c1OC ZINC000002461775 FC Annotated Reactive Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(C)c1ccc(Br)cc1 ZINC000002464890 FC Annotated Anodyne O=C(COC(=O)CN1C(=O)CCC1=O)Nc1nnc(-c2ccccc2)s1 ZINC000002490318 FC Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cnccn2)C1 ZINC000002493265 FC Annotated Anodyne CSCCc1nc2nc(N(C[C@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O ZINC000002499699 FC Annotated Anodyne CSCCc1nc2nc(N(C[C@@H](C)O)C[C@@H](C)O)ccc2[nH]c1=O ZINC000002499701 FC Annotated Anodyne CSCCc1nc2nc(N(C[C@H](C)O)C[C@H](C)O)ccc2[nH]c1=O ZINC000002499702 FC Annotated Anodyne O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCCCCC1 ZINC000002499906 FC Annotated Anodyne CN1CCN(C(=O)CCCc2nnc3n(C)c(=O)c4sccc4n23)CC1 ZINC000020131811 FC Annotated Anodyne CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2CCOCC2)C1=O ZINC000020136501 FC Annotated Anodyne CC[C@H]1Oc2ccc(C)cc2N(CC(=O)NCCN2CCOCC2)C1=O ZINC000020136505 FC Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150433 FC Annotated Anodyne COC(=O)[C@@]1(CCSC)N[C@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150435 FC Annotated Anodyne O[C@@H](CN1CCN(c2cccnc2)CC1)Cn1nnnc1-c1ccccc1 ZINC000020177655 FC Annotated Anodyne O[C@H](CN1CCN(c2cccnc2)CC1)Cn1nnnc1-c1ccccc1 ZINC000020177657 FC Annotated Anodyne Cc1cc(C)c2c(=O)n(CC(=O)NCCCN3CCOCC3)sc2n1 ZINC000020355518 FC Annotated Anodyne CCOC(=O)N1CCN(c2c(NCCN3CCCC3)c(=O)c2=O)CC1 ZINC000020379178 FC Annotated Anodyne CC(=O)c1nnn(-c2ccc(F)cc2)c1N[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000020444135 FC Annotated Anodyne CC(=O)c1nnn(-c2ccc(F)cc2)c1N[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000020444140 FC Annotated Anodyne CC(=O)c1nnn(-c2ccc(F)cc2)c1N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000020444144 FC Annotated Anodyne CC(=O)c1nnn(-c2ccc(F)cc2)c1N[C@H]1CS(=O)(=O)C[C@H]1O ZINC000020444148 FC Annotated Anodyne CC1=C(C(=O)O[C@@H]2CCCN(C)C2)[C@]2(O)C(=O)c3ccccc3[C@]2(O)N1 ZINC000020458833 FC Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(C2CCCCC2)CC1 ZINC000020489249 FC Annotated Anodyne COC(=O)[C@]12CCCN1[C@H]1C(=O)N(Cc3ccc(C(N)=O)cc3)C[C@@H]1C2 ZINC000200549121 FC Annotated Anodyne COC(=O)[C@@]1(O)C[C@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O1)[C@H]2O ZINC000200663222 FC Annotated Anodyne COC(=O)[C@@]1(O)C[C@H]2O[C@H](COC(=O)/C=C\c3ccccc3)[C@@H](O1)[C@H]2O ZINC000200663255 FC Annotated Anodyne CCO[C@H]1C=C[C@H](O)[C@@H](OC(C)=O)[C@@]1(O)COC(=O)c1ccccc1 ZINC000200705471 FC Annotated Anodyne O=C1N=c2ccc(S(=O)(=O)O)cc2=C1NNc1nc2ccccc2s1 ZINC000200773877 FC Annotated Anodyne CC(C)NC(=O)c1ccc2c(c1)=C(NNc1ccccc1C(=O)O)C(=O)N=2 ZINC000200775611 FC Annotated Anodyne O=C1N=c2ccc(S(=O)(=O)O)cc2=C1NNc1ccccc1Cl ZINC000200776726 FC Annotated Anodyne O=C1C[C@@H]2OCC=C3CN4C(=O)C[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@]46O ZINC000200867352 FC Annotated Anodyne CC1(C)OB(c2ccnc(N3CCN(S(C)(=O)=O)CC3)c2)OC1(C)C ZINC000201547151 FC Annotated Mild COC(=O)[C@H]1C[C@@]2(N3CCCC3)c3ccccc3N[C@H]2N1S(C)(=O)=O ZINC000203463752 FC Annotated Anodyne COC(=O)[C@]1(CNS(=O)(=O)C2CC2)CC(=O)N(C)[C@@H]1c1ccccc1 ZINC000203470084 FC Annotated Anodyne C[N+]1=C(N)NC2=C3CCCC[C@@H]3n3c(=O)n(-c4ccccc4)c(=O)n3[C@@H]2C1 ZINC000203471378 FC Annotated Anodyne C[N+]1=C(N)NC2=C3CCCC[C@H]3n3c(=O)n(-c4ccccc4)c(=O)n3[C@@H]2C1 ZINC000203471383 FC Annotated Anodyne C[N+]1=C(N)NC2=C3CCCC[C@@H]3n3c(=O)n(-c4ccccc4)c(=O)n3[C@H]2C1 ZINC000203471389 FC Annotated Anodyne C[N+]1=C(N)NC2=C3CCCC[C@H]3n3c(=O)n(-c4ccccc4)c(=O)n3[C@H]2C1 ZINC000203471394 FC Annotated Anodyne C[N+]1=C(N)N[C@@]2(C=C3CCCC[C@@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)C1 ZINC000203471400 FC Annotated Anodyne C[N+]1=C(N)N[C@@]2(C=C3CCCC[C@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)C1 ZINC000203471406 FC Annotated Anodyne COc1ccc(C(=O)[C@]2(C(=O)NCCO)CC(c3ccccn3)=NO2)cc1 ZINC000203474130 FC Annotated Anodyne COc1ccc(C(=O)[C@@]2(C(=O)NCCO)CC(c3ccccn3)=NO2)cc1 ZINC000203474136 FC Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCCC3)ccc21 ZINC000203474699 FC Annotated Anodyne O=C(NCc1ccco1)[C@@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000020510950 FC Annotated Anodyne O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)N2CCOCC2)C1 ZINC000020510952 FC Annotated Anodyne COCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C2CCCCC2)C1 ZINC000020511505 FC Annotated Anodyne NC(=O)C1CCN(C(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1 ZINC000020512328 FC Annotated Anodyne CCN(CC)CCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2 ZINC000020531764 FC Annotated Anodyne Cn1ncc(NC(=O)Cn2ncc(N3CCc4ccccc4C3)cc2=O)n1 ZINC000020536756 FC Annotated Anodyne CN(C)c1cnn(CC(=O)NCCCn2ncc3ccccc32)c(=O)c1 ZINC000020536811 FC Annotated Anodyne CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)CCN3CCCO3)C2)CC1 ZINC000020598236 FC Annotated Anodyne CCOC(=O)N1CCN([C@H]2CCCN(C(=O)CCN3CCCO3)C2)CC1 ZINC000020598237 FC Annotated Anodyne C[C@@H](Cc1cnccn1)NC(=O)Cn1ncc(N2CCCCC2)cc1=O ZINC000020601842 FC Annotated Anodyne C[C@H](Cc1cnccn1)NC(=O)Cn1ncc(N2CCCCC2)cc1=O ZINC000020601843 FC Annotated Anodyne O=C(Cn1ncc(N2CCCCC2)cc1=O)Nc1nnc2ccccn12 ZINC000020778150 FC Annotated Anodyne CCc1nc(NC(=O)N2CCCN(C(=O)[C@@H]3CCCO3)CC2)nn1C ZINC000020820983 FC Annotated Anodyne CCc1nc(NC(=O)N2CCCN(C(=O)[C@H]3CCCO3)CC2)nn1C ZINC000020820986 FC Annotated Anodyne Cc1cc(C)cc(CN2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2=O)c1 ZINC000020859654 FC Annotated Anodyne Cc1cc(C)cc(CN2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2=O)c1 ZINC000020859659 FC Annotated Anodyne COCCCn1c(CN2CCN3CCC[C@@H]3C2)cnc1S(C)(=O)=O ZINC000020910805 FC Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(C#N)cc21 ZINC000205480860 FC Annotated Mild C[N+]1=C(N)NC[C@H]1c1c(C(=O)O)[nH]c2cc(O)c(Br)cc12 ZINC000205713412 FC Annotated Anodyne CN1C(N)=[N+](C)[C@@H](c2c(C(=O)O)[nH]c3ccc(Br)cc23)[C@H]1O ZINC000205713581 FC Annotated Anodyne CN1CC[C@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)C1 ZINC000205787796 FC Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)C1 ZINC000205787814 FC Annotated Mild COC(=O)/C(C)=C1\C(=O)O[C@@]2(C)[C@H]3C[C@H]3[C@](C)(CO)[C@H]2[C@H]1OC(C)=O ZINC000205835793 FC Annotated Anodyne CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206063975 FC Annotated Anodyne CCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(Br)c3=O)[C@@H]21 ZINC000206064288 FC Annotated Anodyne CC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206065205 FC Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)c1ccccn1 ZINC000206065560 FC Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(Br)c3=O)[C@@H]2N1C ZINC000206065585 FC Annotated Anodyne COC(=O)c1nc(N)nc2c1-c1cc(Br)[nH]c1C(=O)NC2 ZINC000206073962 FC Annotated Anodyne CC1(C)OB(c2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)OC1(C)C ZINC000206170171 FC Annotated Mild CC1(C)OB(c2cnccc2N2CCN(S(C)(=O)=O)CC2)OC1(C)C ZINC000206170212 FC Annotated Mild CC1(C)OB(c2cccnc2N2CCN(S(C)(=O)=O)CC2)OC1(C)C ZINC000206170253 FC Annotated Mild CC1(C)OB(c2cccc(N3CCN(S(C)(=O)=O)CC3)n2)OC1(C)C ZINC000206170294 FC Annotated Mild CC1(C)OB(c2cc(N3CCN(S(C)(=O)=O)CC3)ccn2)OC1(C)C ZINC000206170337 FC Annotated Mild CC1(C)OB(c2ccc(N3CCN(S(C)(=O)=O)CC3)cn2)OC1(C)C ZINC000206170378 FC Annotated Mild CN1CCN(S(=O)(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CC1 ZINC000206172963 FC Annotated Mild Cc1ccc2c(c1)[C@@H]1CC(=O)N(CCN3CCOCC3)C(=O)C1=C(N)O2 ZINC000206391264 FC Annotated Anodyne Cc1ccc2c(c1)[C@H]1CC(=O)N(CCN3CCOCC3)C(=O)C1=C(N)O2 ZINC000206391295 FC Annotated Anodyne C[C@@H](O)[C@H](/C=C/[C@@H]1O[C@@H]2C=CC(=O)O[C@@H]2[C@@H]1O)OC(=O)c1ccccc1 ZINC000206803131 FC Annotated Anodyne C[C@@H](OC(=O)c1ccccc1)[C@@H](O)/C=C/[C@@H]1O[C@@H]2C=CC(=O)O[C@@H]2[C@@H]1O ZINC000206803304 FC Annotated Anodyne Nc1ncc(-c2ccc3ccccc3n2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 ZINC000207492710 FC Annotated Anodyne Nc1ncc(-c2nc3cccnc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 ZINC000207524650 FC Annotated Anodyne O=C1C2=N[C@@H]3C[C@]45C(=CC(=O)[C@H]([C@@H]4O)N4CCc6c[nH]c1c6C4=C25)S3 ZINC000208849729 FC Annotated Mild C[C@H]1NC(=O)NC(=O)[C@H]1CCC(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000208962930 FC Annotated Anodyne C[C@@H]1NC(=O)NC(=O)[C@H]1CCC(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000208962968 FC Annotated Anodyne C[C@H]1NC(=O)NC(=O)[C@@H]1CCC(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000208963004 FC Annotated Anodyne C[C@@H]1NC(=O)NC(=O)[C@@H]1CCC(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000208963035 FC Annotated Anodyne CCOC(=O)Cn1c(=O)c(-c2noc(C)n2)nn(-c2ccc(C)cc2)c1=O ZINC000021365116 FC Annotated Anodyne C[N+]1=CNC[C@@]1(C)C[C@@H](NC(=O)c1cc(Br)c[nH]1)C(=O)O ZINC000210484464 FC Annotated Anodyne CC(=O)O[C@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12 ZINC000210567399 FC Annotated Bother COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@@](C)(O)[C@@H](OC(C)=O)C3 ZINC000210736578 FC Annotated Mild CCN1CCN(CCCNC(=O)CCc2c(C)nn3cnnc3c2C)CC1 ZINC000021540656 FC Annotated Anodyne CCN1CCN(CCNC(=O)CCc2c(C)nn3cnnc3c2C)CC1 ZINC000021540658 FC Annotated Anodyne CC(=O)Nc1ccn([C@@H]2CO[C@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000021982697 FC Annotated Anodyne NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CC(O)C3)c(F)cc1OCC2 ZINC000215738370 FC Annotated Mild CNC(=O)[C@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000215738750 FC Annotated Mild CNC(=O)[C@@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000215738793 FC Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CC(CO)C3)c(F)cc1OCC2 ZINC000215739063 FC Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1CO ZINC000215744089 FC Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#C[C@]3(O)CCOC3)c(F)cc1OCC2 ZINC000215748117 FC Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#C[C@@]3(O)CCOC3)c(F)cc1OCC2 ZINC000215748166 FC Annotated Mild COC[C@@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000215750866 FC Annotated Mild COC[C@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000215750928 FC Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)c1nnco1 ZINC000215751368 FC Annotated Mild C[C@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1CCO2)c1nnco1 ZINC000215751419 FC Annotated Mild Cc1ccc2c(S(=O)(=O)N(C)C)cc(S(=O)(=O)N(C)C)c(O)c2n1 ZINC000216117097 FC Annotated Anodyne CC[C@]1(O)C[C@@]2(O)c3c(c(C)cc(=O)n3C)C(=O)c3c(C)cc(=O)n1c32 ZINC000217626221 FC Annotated Anodyne COc1ccc2c(c1)[C@]13CCN[C@H](C2)[C@]1(O)CC[C@@]1(C3)NC(=O)NC1=O ZINC000217691726 FC Annotated Anodyne N#C[C@H](Cc1ccc(N2CCNCC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219311234 FC Annotated Mild C[C@H](O)[C@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000219479777 FC Annotated Mild C[C@@H](O)[C@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000219479857 FC Annotated Mild C[C@H](O)[C@@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000219479938 FC Annotated Mild C[C@@H](O)[C@@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000219480014 FC Annotated Mild NC(=O)c1cc2n(n1)-c1cc(C#C[C@]3(O)CCC[C@@H]3O)ccc1OCC2 ZINC000219516628 FC Annotated Mild NC(=O)c1cc2n(n1)-c1cc(C#C[C@@]3(O)CCC[C@@H]3O)ccc1OCC2 ZINC000219516701 FC Annotated Mild NC(=O)c1cc2n(n1)-c1cc(C#C[C@]3(O)CCC[C@H]3O)ccc1OCC2 ZINC000219516776 FC Annotated Mild NC(=O)c1cc2n(n1)-c1cc(C#C[C@@]3(O)CCC[C@H]3O)ccc1OCC2 ZINC000219516852 FC Annotated Mild CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CC1 ZINC000022035367 FC Annotated Anodyne NCc1ccc(OC(=O)[C@@H]2CC[C@H]3CN2C(=O)N3OS(=O)(=O)O)cc1 ZINC000220092978 FC Annotated Mild C/C=C\[C@H](C)[C@H]1O[C@]1(C)[C@@H](O)[C@@H](CO)C(=O)[C@H](CO)[C@@H](O)CC(=O)CC ZINC000220630292 FC Annotated Anodyne CN1CCN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)CC1 ZINC000221158273 FC Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC(F)(F)C3)n2)cn1 ZINC000221175097 FC Annotated Anodyne COC1CN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000221327031 FC Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@@H]4C[C@H]3CO4)n2)cn1 ZINC000221359561 FC Annotated Anodyne CC(C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C(=O)NO ZINC000221921699 FC Annotated Bother [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(NC3CCCC3)nc2=O)[C@@H](F)[C@@H]1O ZINC000222197481 FC Annotated Clean O=C(O)CCCCCNC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2C[S@]1=O ZINC000223775476 FC Annotated Anodyne in-vitro N#CCN1CCCN(CC#N)CCN(CC#N)CCCN(CC#N)CC1 ZINC000022859746 FC Annotated Mild CC12CN3CCN(CC(C3)/C1=N\N=C1/C3CN4CCN(C3)CC1(C)C4)C2 ZINC000022919833 FC Annotated Mild CN1CCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)CC1 ZINC000022940282 FC Annotated Reactive COc1ccc(C(=O)Cn2ncc(N3CCO[C@@H](CCN)C3)cc2=O)cc1 ZINC000023153240 FC Annotated Anodyne COc1ccc(C(=O)Cn2ncc(N3CCO[C@H](CCN)C3)cc2=O)cc1 ZINC000023153241 FC Annotated Anodyne O=C(c1[nH]nc2c1CCCC2)N1CCC(Cn2cc(CCO)nn2)CC1 ZINC000023214511 FC Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O ZINC000023214791 FC Annotated Anodyne CN1CCN(S(=O)(=O)N2CCC(n3cc(C4CC4)nn3)CC2)CC1 ZINC000023232394 FC Annotated Anodyne Cc1nccnc1N1CCC(Cn2cc(CN3CCNC(=O)C3)nn2)CC1 ZINC000023250662 FC Annotated Anodyne CN(CC(=O)N1CCc2n[nH]c(C3CCC3)c2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000023251231 FC Annotated Anodyne CN(CC(=O)N1CCc2n[nH]c(C3CCC3)c2C1)[C@H]1CCS(=O)(=O)C1 ZINC000023251234 FC Annotated Anodyne Cn1ncc(N2CCO[C@@H](CCNC(=O)NCc3ccco3)C2)cc1=O ZINC000023311117 FC Annotated Anodyne Cn1ncc(N2CCO[C@H](CCNC(=O)NCc3ccco3)C2)cc1=O ZINC000023311119 FC Annotated Anodyne CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-n3cccn3)n2)CC1 ZINC000023360528 FC Annotated Anodyne O=C(c1ccc[nH]1)N1CCC(Cn2cc(CN3CCOCC3)nn2)CC1 ZINC000023368032 FC Annotated Anodyne Cc1nccc(N2CCC[C@@H](Cn3cc(CN4CCNC(=O)C4)nn3)C2)n1 ZINC000023430062 FC Annotated Anodyne Cc1nccc(N2CCC[C@H](Cn3cc(CN4CCNC(=O)C4)nn3)C2)n1 ZINC000023430068 FC Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230070413 FC Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230070419 FC Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230070428 FC Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230070434 FC Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230075934 FC Annotated Mild in-man C=C1C[C@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230075940 FC Annotated Mild in-man C=C1C[C@@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230075949 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230075956 FC Annotated Mild in-man C=C1C[C@@]23C[C@@H]1C[C@@H](O)[C@@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080582 FC Annotated Mild in-man C=C1C[C@]23C[C@@H]1C[C@@H](O)[C@@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080588 FC Annotated Mild in-man C=C1C[C@@]23C[C@H]1C[C@@H](O)[C@@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080593 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080598 FC Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080858 FC Annotated Mild in-man C=C1C[C@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080866 FC Annotated Mild in-man C=C1C[C@@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080870 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]12C[C@@H](O)[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080874 FC Annotated Mild in-man C=C1[C@@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230087981 FC Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230087987 FC Annotated Mild in-man C=C1[C@@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230087990 FC Annotated Mild in-man C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230087992 FC Annotated Mild in-man C=C1[C@@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088112 FC Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088116 FC Annotated Mild in-man C=C1[C@@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088119 FC Annotated Mild in-man C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230088121 FC Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]1[C@@H]3C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O ZINC000230097978 FC Annotated Mild in-man C=C1C[C@]23C[C@@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]1[C@@H]3C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O ZINC000230097985 FC Annotated Mild in-man C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]1[C@@H]3C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O ZINC000230097991 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]1[C@@H]3C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O ZINC000230097994 FC Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@@H](O)[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230101085 FC Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@@H](O)[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230101092 FC Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@@H](O)[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230101096 FC Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@@H](O)[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000230101102 FC Annotated Mild in-man Cc1cc(=O)n(CC(=O)N[C@@H](Cc2ccccn2)C2CC(O)C2)nc1C ZINC000230616559 FC Annotated Anodyne CC(C)[C@H]1C[C@](O)([C@@H](C)O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000231146593 FC Annotated Anodyne Cc1nc([C@@H]2CCCN(S(=O)(=O)c3cn(C)c(C)n3)C2)cc(=O)[nH]1 ZINC000023582134 FC Annotated Anodyne Cc1nc([C@H]2CCCN(S(=O)(=O)c3cn(C)c(C)n3)C2)cc(=O)[nH]1 ZINC000023582136 FC Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(OC5)[C@@]3([C@@H]1O)[C@@H]2O ZINC000238730902 FC Annotated Mild COC(=O)C1=CO[C@@H](OC(C)=O)[C@@H]2C(COC(C)=O)=C[C@@H](OC(C)=O)[C@H]12 ZINC000238730916 FC Annotated Anodyne C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@H](OC1=O)[C@@]23O ZINC000238730966 FC Annotated Bother C=C1C(=O)O[C@@H]2[C@H]3[C@H](C=O)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)[C@@H](C)CO)[C@@H]12 ZINC000238730980 FC Annotated Mild CC1(C)C(=O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000238731026 FC Annotated Anodyne C/C=C(\CO)C(=O)OCC1=CCN2CC[C@@H](OC(=O)/C=C(/C)CO)[C@@H]12 ZINC000238731044 FC Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1[C@@H](O)C=C2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000238731148 FC Annotated Mild C=C1[C@@H](O)C[C@H](O)C(C)(C)C(=O)[C@H](O)C[C@@]23C[C@@](C)(O)[C@@H](CC[C@@H]12)[C@H]3O ZINC000238731225 FC Annotated Mild C[C@@](O)(C[C@@H]1C=C(CO)C(=O)O1)[C@H]1COc2ccc3ccc(=O)oc3c2O1 ZINC000238732135 FC Annotated Anodyne O=C1C=C[C@H](O)[C@]23O[C@]12[C@@H](O)[C@H]1O[C@H]1C31Oc2cccc3cccc(c23)O1 ZINC000238732150 FC Annotated Mild CC(C)[C@H]1C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@](C)(O)[C@H]1C)C2=O ZINC000238732168 FC Annotated Mild COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O)[C@H](O)[C@@H]2OC(C)=O)cc1 ZINC000238732370 FC Annotated Anodyne C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238732610 FC Annotated Mild C=C[C@@]12CO[C@H](O)C(=C)[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)CO)C2 ZINC000238732896 FC Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@](C)(O)CO)=C/C[C@@H]12 ZINC000238732913 FC Annotated Mild C[C@@H]1O[C@@]12C[C@H](C)[C@@](C)(O)C(=O)OCC1=CCN3CC[C@@H](OC2=O)[C@H]13 ZINC000238733356 FC Annotated Anodyne CCC(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)/C(C)=C/CO)[C@H]1C(C)C ZINC000238733738 FC Annotated Mild C[C@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 ZINC000238733802 FC Annotated Anodyne C[C@H]1CC(=O)C2=C(C[C@H](O)[C@@]3(O)[C@@H]2C(=O)c2cccc(O)c2[C@H]3O)[C@@H]1O ZINC000238734123 FC Annotated Mild C=C1C(=O)[C@@H]2CC[C@@H]3[C@@]14[C@H]2O[C@H]1O[C@]4(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@H](O)[C@@]132 ZINC000238734853 FC Annotated Mild C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3C[C@H](O)[C@H](OC1=O)[C@H]23 ZINC000238735358 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@]3(C)[C@@H]1[C@]2(C)C[C@H](O)[C@@H]3O ZINC000238735756 FC Annotated Anodyne C=C1C[C@]23C[C@H]1C(=O)C[C@H]2[C@]12C[C@@H](O)[C@@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000238736745 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)C=C[C@@H]2O ZINC000238736824 FC Annotated Mild C=C1[C@@H]2CC(=O)[C@H]3[C@]45C=CC[C@@](C)(CO)[C@H]4[C@H](O)[C@@](O)(OC5)[C@]3(C2)[C@@H]1O ZINC000238736831 FC Annotated Mild COc1cc(O)c2c(c1O)C(=O)C1=C(C2=O)[C@@H](O)C[C@H](C[C@H](C)O)O1 ZINC000238737857 FC Annotated Mild C=C1[C@@H]2CC[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 ZINC000238738420 FC Annotated Mild C[C@H]1CC[C@]2(O)[C@H]1C[C@H]([C@@](C)(O)COS(=O)(=O)O)CC[C@@]2(C)O ZINC000238738758 FC Annotated Anodyne COc1cc(O)c2c(c1)C(=O)[C@@H]1O[C@@H](C)[C@H](O)[C@H](OC(C)=O)[C@H]1C2=O ZINC000238739363 FC Annotated Clean CO[C@@H]1C[C@@H](OC)[C@H](O[C@@H](C[C@@H](OC)[C@H](O)[C@@H](C)O)OC)[C@@H](C)O1 ZINC000238739372 FC Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)C1=C(O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]21 ZINC000238740159 FC Annotated Mild CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000238740848 FC Annotated Anodyne C=C1[C@@H]2CC[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 ZINC000238740957 FC Annotated Mild C=C1[C@@H](O)C[C@H](O)C(C)(C)C(=O)[C@H](O)C[C@]23C[C@@](C)(O)[C@H](CC[C@@H]12)[C@@H]3O ZINC000238741049 FC Annotated Mild C/C=C1/C[C@@H](C)[C@@](O)(CO)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@H]23 ZINC000238741055 FC Annotated Bother CC(=O)OC[C@H]1O[C@@H](OC/C=C(\C)[C@@H](O)CC=C(C)C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238741273 FC Annotated Anodyne C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)C[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 ZINC000238741432 FC Annotated Bother C[C@H]1CC(=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@H]12 ZINC000238741490 FC Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@](C)(O)CO)=C/C[C@H]12 ZINC000238741555 FC Annotated Mild C/C=C/C=C/C(O)=C1\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@@H]1OC(=O)C[C@@]12CO ZINC000238742907 FC Annotated Mild CO[C@@H]1CN2Cc3cc4c(cc3[C@@H]3[C@H](OC(C)=O)[C@@H](O)C=C1[C@H]32)OCO4 ZINC000238743535 FC Annotated Anodyne C=C1[C@@H]2C[C@H](O)C(C)(C)[C@@]2(O)[C@H](O)C[C@@]23C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 ZINC000238744042 FC Annotated Mild O=C1CC[C@@H](O)[C@]23O[C@]12C1(Oc2cccc4cccc(c24)O1)[C@H]1O[C@H]1[C@H]3O ZINC000238744069 FC Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(OC5)[C@]3([C@H]2O)[C@@H]1O ZINC000238744346 FC Annotated Mild C=C(C)C(=O)O[C@@H]1[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@@H](C(=C)C=O)[C@]1(C)[C@H]1CO1 ZINC000238744466 FC Annotated Reactive C=C1[C@@H]2C[C@@H](O)[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5O)[C@]3(C2)[C@H]1O ZINC000238744516 FC Annotated Mild C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]12OC(=O)[C@](C)(C(=O)C[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000238744668 FC Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@@](C)(CO)CC[C@@H]2O ZINC000238744684 FC Annotated Mild C=C1C[C@]23C(=O)OC(=O)[C@@H]4[C@@]5(C)CC(=O)C[C@]46[C@H]([C@H]2[C@H](O)[C@H]1C[C@H]36)N(C)C5 ZINC000238744789 FC Annotated Reactive CC1(C)[C@@H](O)C[C@@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000238744807 FC Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@H]1O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]1OC2=O ZINC000238744892 FC Annotated Anodyne COC(=O)c1c(O)cc2c(c1O)C(=O)c1c(cc(O)c(CO)c1O)C2=O ZINC000238744906 FC Annotated Clean CC(=O)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@@H](O)[C@@H]([C@H]12)[C@H]5C[C@]43O ZINC000238745895 FC Annotated Anodyne COC(=O)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1 ZINC000238745955 FC Annotated Anodyne CO[C@H]1CC(=O)[C@@H](C)OC(=O)C[C@H](C)OC(=O)/C=C/[C@@H](O)[C@H](C)OC1=O ZINC000238746104 FC Annotated Anodyne CC1(C)[C@@H](O)[C@@H](O)[C@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4C[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000238746120 FC Annotated Anodyne COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)O[C@@H](C[C@H](C)O)C[C@H]3O ZINC000238746732 FC Annotated Mild CC(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)C=C[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238746800 FC Annotated Anodyne COC(=O)[C@]1(O)[C@H](O)[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000238746813 FC Annotated Anodyne C/C=C1/C[C@@H](CO)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 ZINC000238746819 FC Annotated Anodyne C=C1[C@@H](O)C[C@H](O)C(C)(C)C(=O)C[C@H](O)[C@]23C[C@@](C)(O)[C@H](CC[C@@H]12)[C@H]3O ZINC000238747125 FC Annotated Mild C/C=C1/CN2CC[C@@]3(O)c4ccccc4N4[C@H](C(=O)OC)[C@@H]1C[C@@H]2[C@]43O ZINC000238747256 FC Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)[C@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238747332 FC Annotated Mild C/C=C(/C)C(=O)OC[C@@H]1O[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@H](O)[C@@H]1O ZINC000238747546 FC Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)[C@]1(C)CO1)C(=C)[C@@H]1C[C@H](O)[C@]3(CO3)[C@H]21 ZINC000238748151 FC Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3[C@]4(CC[C@H](OC(=O)[C@]5(C)CO5)[C@]3(C)C[C@H](O)[C@@H]12)CO4 ZINC000238748295 FC Annotated Mild C=C1C[C@]23C[C@H]1C(=O)C[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238748333 FC Annotated Mild C=C1C[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238748374 FC Annotated Mild C=C1C[C@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)[C@@H](O)[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000238748532 FC Annotated Mild C[C@H]1CC[C@@H]2OC(=O)[C@]3(CO)C[C@H]4O[C@@]35C[C@]2(O)[C@]1(C)C=C5[C@]4(C)O ZINC000238748632 FC Annotated Anodyne CC1=CCC[C@H]2[C@]1(C)C(=O)[C@@H](O)[C@H](C)[C@@]2(C)C[C@H](O)[C@]1([C@H](O)CO)CO1 ZINC000238748731 FC Annotated Anodyne C/C=C1/C[C@@H](C)[C@@H](O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000238748927 FC Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(CO)[C@H](CCC(C)(C)[C@H]1CO)OC3=O ZINC000238749001 FC Annotated Mild C[C@@H]1CC(=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@H]12 ZINC000238749311 FC Annotated Anodyne C=C1C(=O)[C@@]23C(=CC[C@@H]1[C@H]2O)[C@]12CCC[C@](C)(CO)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238749364 FC Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)[C@@]1(C)[C@H](C[C@H]2O)[C@@H](OC(=O)CC(C)C)C[C@H]1O ZINC000238749490 FC Annotated Mild Cn1c2ccccc2c(=O)c2c(O)cc(O)c(C[C@H](O)[C@]3(CO)CO3)c21 ZINC000238749500 FC Annotated Bother C=C[C@@]1(C)C[C@@H](O)C2=C(C(=O)[C@@]3(O)OC[C@@]24CCCC(C)(C)[C@]34O)[C@H]1O ZINC000238749527 FC Annotated Mild C=C(CC/C=C(/C)CO)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238749839 FC Annotated Mild C=C(C)/C=C/[C@@H](CO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O)C(=C)C ZINC000238750050 FC Annotated Mild C=C[C@@]1(C)[C@H]2[C@@H](OC(=O)C(=C)C)[C@@H]3C(=C)C(=O)O[C@H]3[C@@H]1O[C@@H](O)[C@@]21CO1 ZINC000238750226 FC Annotated Mild C[C@H]1O[C@H](O)[C@@H]2[C@H]3C[C@@H]4N(CC[C@@]45c4ccccc4N(C(=O)CO)[C@@H]25)C[C@H]31 ZINC000238750233 FC Annotated Anodyne CON1C(=O)[C@@]2(C[C@@H]3NC(=O)[C@H]4[C@@H]3CO[C@@H]2[C@@H]4OC(C)=O)c2ccccc21 ZINC000238750940 FC Annotated Anodyne CC(C)(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(Cl)(Cl)Cl ZINC000238750981 FC Annotated Anodyne C=C1C[C@@H](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@H]12 ZINC000238751456 FC Annotated Mild COC(=O)NCc1ccc(O[C@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H](O)[C@H]2O)cc1 ZINC000238751771 FC Annotated Anodyne C[C@@H]1OC[C@H]2[C@@H]3N(C(=O)CO)c4ccccc4[C@@]34CCN3C[C@@H]1[C@@H]2C[C@]34O ZINC000238751925 FC Annotated Anodyne CC(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@]12C ZINC000238751945 FC Annotated Anodyne CCO[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](OC)[C@H]2O)[C@@H](C)O1 ZINC000238751949 FC Annotated Anodyne C=C(C(=O)OC)[C@@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@@H]([C@H]1O)[C@](C)(O)CC[C@H]2O ZINC000238751980 FC Annotated Mild C=C1[C@@H]2CC(=O)O[C@@H]3C[C@H]4C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@H]4[C@@H](OC[C@@]234)[C@@H]1O ZINC000238752026 FC Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000238752085 FC Annotated Mild C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 ZINC000238752350 FC Annotated Anodyne CO[C@@H]1[C@@H](O)[C@H]2c3cc4c(cc3CN3CC=C([C@H]23)[C@H]1OC(C)=O)OCO4 ZINC000238752412 FC Annotated Anodyne CC1(C)[C@H]2O[C@H]2[C@H]2[C@](C)(O)[C@@H]3CC[C@]4(O)C[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000238752898 FC Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)(C[C@@H](O)[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000238752948 FC Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@]13O[C@@H]1[C@@H](Cl)[C@](C)(O)[C@H]23 ZINC000238752995 FC Annotated Reactive C=C(CO)C(=O)O[C@H]1C[C@]2(C)[C@H]([C@H](C=O)CC[C@H]2O)[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238753007 FC Annotated Mild COc1ccc(/C=C/C(=O)O[C@H]2[C@H](C)O[C@@H](O)[C@H](OC(C)=O)[C@@H]2O)cc1 ZINC000238753092 FC Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)C1=C[C@@]1(C)OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@]31C ZINC000238753195 FC Annotated Mild CC(=O)OC[C@H]1O[C@@H](O[C@@H]2C=C(C)[C@@H]3C[C@H]2C3(C)C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238754348 FC Annotated Anodyne COc1cc([C@@H](CCS(=O)(=O)O)S(=O)(=O)O)cc(OC)c1O ZINC000238754367 FC Annotated Anodyne O[C@H]1CC[C@H](O)[C@]23O[C@]12[C@@H](O)[C@H]1O[C@H]1C31Oc2cccc3cccc(c23)O1 ZINC000238754776 FC Annotated Anodyne C=C1[C@@H]2C[C@H]3OC(=O)[C@@]45[C@@H](O)CCC(C)(C)[C@H]4[C@H](O)C(=O)[C@](C2)([C@@H]1O)[C@@H]35 ZINC000238754829 FC Annotated Mild CC1=CC(=O)[C@H]2O[C@@]3(CC[C@]4(O3)C(=O)c3c(O)cccc3C(=O)[C@]24O)[C@H]1O ZINC000238754956 FC Annotated Mild C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 ZINC000238755323 FC Annotated Anodyne CC(=O)N[C@@H](CS[C@H](CC(=O)O)[C@H](O)CCCCCO)C(=O)O ZINC000238755373 FC Annotated Anodyne C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 ZINC000238755516 FC Annotated Anodyne C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@H](OC1=O)[C@@H]23 ZINC000238755626 FC Annotated Anodyne CC(=O)O[C@@H]1[C@]23CC(=O)O[C@@]2(C)CC[C@]3(O)[C@]2(C)[C@@H](O)OC(=O)[C@]12C ZINC000238755655 FC Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@@H]2CCC(C)(C)[C@H]4[C@H](O)OC[C@@]324)[C@@H]1O ZINC000238756255 FC Annotated Mild C=C1[C@@H]2OC[C@]3(O)[C@@H](OC(C)=O)C[C@@]1(O)[C@@H]3[C@H](OC(=O)CC(C)C)O2 ZINC000238756359 FC Annotated Mild CC[C@]1(O)C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000238756661 FC Annotated Anodyne CC1=C[C@@H](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@H]12 ZINC000238756736 FC Annotated Anodyne CC(C)[C@@H]1C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@](C)(O)[C@@H]1C)C2=O ZINC000238756954 FC Annotated Mild C[C@@H]1C(=O)CCC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238756982 FC Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@@H]3[C@@](C2)([C@@H]1O)[C@]1(O)OC[C@]32CCC[C@@](C)(CO)[C@H]2[C@@H]1O ZINC000238757571 FC Annotated Mild CC(C)[C@@H]1C[C@](O)([C@H](C)O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000238757881 FC Annotated Anodyne CC(=O)O[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)C ZINC000238757891 FC Annotated Bother C/C=C1\C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@@](C)(O)[C@H](C)[C@@H]1O)[C@H]23 ZINC000238758164 FC Annotated Anodyne CC(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(CO)=C31)O2 ZINC000238758673 FC Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CC[C@H](O)C(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238758793 FC Annotated Mild C=C1C/C(=C/C)C(=O)O[C@@H]2CC[N+]3([O-])C[C@@H](O)[C@H](COC(=O)[C@]1(C)O)[C@H]23 ZINC000238758806 FC Annotated Mild C=C(C)C(=O)O[C@H]1C[C@@H](C)C(=O)[C@H]2C[C@](C)(O)[C@H](O)[C@H]3OC(=O)C(=C)[C@@]123 ZINC000238758929 FC Annotated Mild O=C1C=C[C@@H](O)[C@]23O[C@]12C1(Oc2cccc4cccc(c24)O1)[C@H]1O[C@H]1[C@H]3O ZINC000238759188 FC Annotated Mild CC(C)[C@@H]1C(=O)O[C@H]2CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23 ZINC000238759282 FC Annotated Bother CC1(C)C(=O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(CC(=O)[C@@]21O)C[C@@]4(C)O ZINC000238759557 FC Annotated Anodyne C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CC[N+]3(C)CC[C@@H](OC1=O)[C@]23O ZINC000238759683 FC Annotated Bother C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@]13O[C@H]1[C@@H](O)[C@](C)(Cl)[C@H]23 ZINC000238759899 FC Annotated Mild C/C=C1/CC[C@@](C)(O)C(=O)OC[C@@]2(O)CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 ZINC000238760009 FC Annotated Bother COC(=O)/C=C1\[C@]2(C(=O)OC)C[C@@H]2CN2CCC3=C[C@H](O)[C@H](OC)C[C@]312 ZINC000238760102 FC Annotated Anodyne C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@H](OC1=O)[C@@]23O ZINC000238761069 FC Annotated Bother CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)[C@H](O)[C@@H](O)C[C@@]2(C)[C@@H]13 ZINC000238761171 FC Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@@H](O)OC[C@]234)[C@@H]1O ZINC000238761407 FC Annotated Mild C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238761428 FC Annotated Mild CO[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CC[C@H](OC(C)=O)[C@@H]12)C(C)(C)O ZINC000238761810 FC Annotated Anodyne C=C1[C@H]2O[C@@H](O)[C@H]3[C@]1(O)C[C@H](OC(C)=O)[C@@]3(COC(=O)CC(C)C)O2 ZINC000238762038 FC Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@]31C ZINC000238762610 FC Annotated Mild C[C@@]12CC[C@H]3[C@]45C[C@@H](O)[C@@H](O)[C@](C)(C(=O)O4)[C@@H]5[C@@H](C(=O)O)[C@]3(CC1=O)C2 ZINC000238763290 FC Annotated Anodyne CO[C@@H](C=O)[C@H](CO)CC(=O)N[C@@H](C)c1cncc2c1CCOC2=O ZINC000238763294 FC Annotated Mild C=C[C@@]12COC(=O)C(=C)[C@@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1[C@@H](OC(=O)C(=C)CO)C2 ZINC000238763588 FC Annotated Mild C[C@H]1C(=O)[C@]23C[C@@]1(O)CC[C@]2(C)[C@]12OC(=O)[C@](C)(CC[C@@H]1O)[C@H]2C[C@@H]3O ZINC000238763996 FC Annotated Anodyne COC[C@H]1O[C@H]2c3c(cc(OC)c(OC)c3OC)C(=O)O[C@@H]2[C@@H](O)[C@@H]1O ZINC000238764297 FC Annotated Anodyne CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@H](O)[C@]1(C)[C@@H]3C(=O)O[C@@H]([C@H]3C)[C@@H](O)[C@H]12 ZINC000238764301 FC Annotated Mild C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O ZINC000238764942 FC Annotated Bother CCCC(=O)OC[C@]1(C)[C@@](C)(O)[C@H]2C[C@]3([C@H](C)CC[C@@]31O)[C@@H](O)C(=O)O2 ZINC000238765128 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CCC[C@](C)(C=O)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238765299 FC Annotated Mild CC(C)CC(=O)OC[C@]12[C@H](CN3CC[C@@H](O)[C@H]31)OC(=O)[C@H]2C(C)(C)O ZINC000238765441 FC Annotated Anodyne COC(=O)C[C@H]1O[C@H](C)C2=C(C(=O)c3ccc(O)c(OC)c3C2=O)[C@H]1O ZINC000238765552 FC Annotated Mild C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238765869 FC Annotated Mild CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@H]2CC=C(C)[C@@H]1C2(C)C ZINC000238765985 FC Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@]31C ZINC000238766006 FC Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2C[C@H](O)C(C)(C)[C@H]4[C@H](O)OC[C@]234)[C@@H]1O ZINC000238766149 FC Annotated Mild CCO[C@@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](OC)[C@H]2O)[C@@H](C)O1 ZINC000238766556 FC Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](O)OC[C@]234)[C@H]1O ZINC000238766687 FC Annotated Mild C=C(CO)C(=O)O[C@H]1CC[C@@]2(CO2)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C[C@@]12C ZINC000238767047 FC Annotated Mild CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000238767064 FC Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)C1=C(O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@H]3C)[C@H](O)[C@H]21 ZINC000238767139 FC Annotated Mild C=C(CO)C(=O)O[C@H]1[C@H](O)C=C(C)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C[C@]21C ZINC000238767363 FC Annotated Mild C/C=C(\CO)C(=O)OCC1=CCN2CC[C@H](OC(=O)/C=C(\C)CO)[C@@H]12 ZINC000238767539 FC Annotated Anodyne C=C(C)C(=O)C[C@@H](CO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O)C(=C)C ZINC000238767641 FC Annotated Mild CC[C@@H](C)C(=O)O[C@H](C)[C@@](C)(O)C(=O)OC[C@H]1CCN2CC[C@@H](O)[C@@H]12 ZINC000238768431 FC Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5O)[C@]3(C2)[C@@H]1O ZINC000238768551 FC Annotated Mild C[C@H]1CC(=O)[C@]2(O)[C@](O)(CC[C@@]34O[C@]32C(=O)c2cccc(O)c2[C@H]4O)C1 ZINC000238768688 FC Annotated Anodyne C[C@H]1C[C@@H](O)[C@H](O)[C@]2(C)C1=CC(=O)[C@@]1(C)[C@H]2[C@H](O)[C@H]2OC(=O)[C@@H]1[C@@H]2C ZINC000238768892 FC Annotated Mild C=C(CO)C(=O)O[C@@H]1C[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H](C[C@H](O)[C@]23CO3)C1=C ZINC000238768930 FC Annotated Mild C=C(CO)C(=O)O[C@H]1C[C@]2(C)[C@H]([C@@H](C=O)CC[C@H]2O)[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238768979 FC Annotated Mild CC1(C)[C@H](O)C[C@@H]2[C@@]1(O)[C@@H](O)C[C@@]13C[C@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@H]3O ZINC000238769344 FC Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)[C@]1(C)CO1)C(=C)[C@@H]1C[C@H](O)[C@]3(CO3)[C@H]21 ZINC000238769917 FC Annotated Mild CC(=O)OC[C@H]1O[C@@H](OCC2=CC[C@H]3C[C@@H]2C3(C)C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238769956 FC Annotated Anodyne C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@H](OC1=O)[C@H]23 ZINC000238770102 FC Annotated Anodyne CC[C@]1(C)C(=O)O[C@](C)(C(=O)OCC2=CCN3CC[C@@H](O)[C@@H]23)[C@@]1(C)O ZINC000238770186 FC Annotated Anodyne CC1=C(/C=C/[C@@H](C)O)C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 ZINC000238770545 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@H]1C(C)(C)CC[C@@H]2O ZINC000238770671 FC Annotated Mild C=C(CO)C(=O)O[C@@H]1[C@H]2C[C@](C)(OC(C)=O)C[C@H]2[C@@H]2C(=C)[C@@H](O)[C@H]3O[C@]132 ZINC000238771079 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(C=O)[C@H](O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000238771323 FC Annotated Mild C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3C[C@H](O)[C@@H](COC(=O)[C@]1(C)O)[C@@H]23 ZINC000238771422 FC Annotated Mild CC[C@@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@@H](C)[C@H]1O)[C@@H]23 ZINC000238771650 FC Annotated Anodyne C=C(CO)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2[C@H](O)CC(=O)[C@]21C ZINC000238772220 FC Annotated Mild C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12C[C@@H](O)[C@@H](O)[C@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000238772236 FC Annotated Mild COC(=O)C[C@H]1O[C@H](C)C2=C(C(=O)c3ccc(OC)c(O)c3C2=O)[C@H]1O ZINC000238772458 FC Annotated Mild COc1cccc2c(=O)c3c(O)cc4c(c3oc12)C[C@H](C(O)(CO)CO)O4 ZINC000238772494 FC Annotated Bother C=C1[C@@H]2CC[C@@H]3C[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 ZINC000238772539 FC Annotated Mild CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H]3CC=C(C)[C@H]2C3(C)C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238772647 FC Annotated Anodyne C[C@H](O)[C@]1(O)C[N+]2([O-])CC[C@]34C(=C(C(=O)O)[C@H]1C[C@@H]32)Nc1ccccc14 ZINC000238773159 FC Annotated Bother C[C@@H]1CC(=O)N2C[C@@]34C[C@@]5(CC(=O)N(C)C5=O)C(C)(C)[C@H]3C[C@@]12C(=O)N4C ZINC000238773204 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CC[C@@H](O)C(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238774047 FC Annotated Mild C=C1[C@@H]2C[C@H]3O[C@H](O)[C@@]45[C@@H](O)CCC(C)(C)[C@H]4[C@H](O)C(=O)[C@@](C2)([C@@H]35)[C@@H]1O ZINC000238774158 FC Annotated Mild CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@]1(O)[C@@H]3O ZINC000238774282 FC Annotated Anodyne CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](OC)[C@@H]1OS(C)(=O)=O ZINC000238774318 FC Annotated Mild C[C@H](O)CC(=O)O[C@H]1CN2Cc3cc4c(cc3[C@]13C=C[C@H](O)C[C@H]23)OCO4 ZINC000238774391 FC Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC[C@]2(CO2)[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](O)C[C@@]12C ZINC000238774634 FC Annotated Mild C/C=C1/C[C@]2(CO)O[C@@]2(C)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 ZINC000238774683 FC Annotated Bother C=C(C=O)[C@@H]1C[C@H](O)[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@@H]1C(C)(C)CC[C@H](O)[C@@]21C=O ZINC000238774789 FC Annotated Reactive CO[C@@H]1C=C2[C@@H]([C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](OC(C)=O)C[C@]2(C)O)[C@]1(C)O ZINC000238775277 FC Annotated Anodyne C=C(C)[C@H]1C=C[C@@H](O)[C@@]23CO[C@@](C)(C(=O)[C@@]4(O)C[C@H](C)[C@H](O)[C@@H]4[C@H]2O)[C@H]13 ZINC000238775375 FC Annotated Mild C=C1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@@H](O)[C@]52[C@@H]3CC[C@@H]14 ZINC000238775842 FC Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CCC[C@@](C)(CO)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238775895 FC Annotated Mild C=C1[C@@H]2CC(=O)O[C@@H]3C[C@H]4C(C)=C[C@H](O)[C@@H](O)[C@]4(C)[C@H]4[C@@H](OC[C@@]234)[C@@H]1O ZINC000238776281 FC Annotated Mild C=C(C)[C@@](C)(O)[C@](C)(O)/C=C\C[C@@](C)(O)[C@@H]1CC(=O)C(CO)=C[C@H]1O ZINC000238776399 FC Annotated Mild C=C1[C@@H]2CC[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 ZINC000238776457 FC Annotated Mild N[C@H](CCC1=CN2[C@@H](O)CCC[C@@H]2[C@H]2CC[C@H](C(=O)O)N=C12)C(=O)O ZINC000238776494 FC Annotated Anodyne C=C[C@]1(C)C=C2[C@@H](O)[C@@]3(O)OC[C@@]4([C@@H](O)C[C@@H](O)C(C)(C)[C@H]34)[C@@]2(O)CC1 ZINC000238776778 FC Annotated Mild C[C@@H](CO)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)CC[C@@H](O)[C@@]2(C)[C@@H]13 ZINC000238776899 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]13 ZINC000238776937 FC Annotated Anodyne C/C=C1/CN2CC[C@]3(O)c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@]43O ZINC000238777088 FC Annotated Anodyne COC(=O)[C@@H]1[C@H](O)[C@]23C=CCN4C[C@](O)([C@@H]2C)[C@@]2(c5ccccc5N[C@@H]12)[C@@H]43 ZINC000238777130 FC Annotated Anodyne C=C(CO)C(=O)O[C@@H]1C[C@]2(C)[C@H]([C@H](C=O)CC[C@H]2O)[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238777237 FC Annotated Mild CC1(C)[C@@H](O)[C@@H](O)[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4C[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000238778239 FC Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](CF)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238778517 FC Annotated Mild C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238778543 FC Annotated Mild C=C[C@]12COC(=O)C(=C)[C@H]1[C@@H]1OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(=C)CO)C2 ZINC000238778998 FC Annotated Mild C[C@@H]1C(=O)CCC(C)(C)[C@H]1/C=C\[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238779453 FC Annotated Anodyne C/C=C1/C[C@@H](C)[C@H](O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000238779664 FC Annotated Mild C/C=C1\C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3C[C@H](O)[C@H](OC1=O)[C@H]23 ZINC000238780090 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[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 ZINC000238780092 FC Annotated Anodyne C/C=C1\C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@H](OC1=O)[C@@H]23 ZINC000238780181 FC Annotated Anodyne C/C=C/C(=O)OC[C@H]1O[C@@H](O[C@@H](C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238780395 FC Annotated Mild C/C=C1/CN2[C@H]3C[C@@]45c6ccccc6N[C@H]4[C@]2(O)C[C@@H]1[C@]3(C(=O)OC)[C@@H]5O ZINC000238780491 FC Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@H](O)C(/C=N\Nc1ccccc1)=N\Nc1ccccc1 ZINC000238780741 FC Annotated Mild CC(C)=CC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@](C)(O)[C@H](C)O)[C@H]12 ZINC000238780858 FC Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238781135 FC Annotated Mild C=C1[C@@H]2CC[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 ZINC000238781177 FC Annotated Mild C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@H](OC1=O)[C@H](O)[C@H]23 ZINC000238781324 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@]3(C)[C@@H]1[C@]2(C)[C@H](O)C[C@H]3O ZINC000238781671 FC Annotated Anodyne C=C1C(=O)[C@@]23C(=CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000238781742 FC Annotated Mild CC(=O)O[C@]1(C)C[C@H](O)C2=C(CO)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2 ZINC000238781917 FC Annotated Anodyne CC[C@@]1(C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000238781965 FC Annotated Anodyne O=C1c2c(O)ccc3c2[C@H]([C@@H]2O[C@H]12)[C@]1(O)c2c-3ccc(O)c2C(=O)[C@@H]2O[C@@H]21 ZINC000238782020 FC Annotated Anodyne C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]12OC(=O)[C@](C)(C(=O)C[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000238782041 FC Annotated Mild COC(=O)[C@]12COC[C@@H](O)[C@@]3(CO)[C@@H]1CCN3Cc1c2[nH]c2ccccc12 ZINC000238782103 FC Annotated Anodyne CC(C)[C@H]1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23 ZINC000238782567 FC Annotated Bother C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@@H](CO)[C@H]12 ZINC000238782796 FC Annotated Mild CC1=C2C(=O)C=C(CO)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](OC(=O)[C@H](C)CO)C1 ZINC000238783065 FC Annotated Mild C=C1[C@H](OCC)O[C@H](OCC)[C@@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O ZINC000238783077 FC Annotated Reactive CC[C@@]1(C)C(=O)O[C@@H]2CCN3C[C@H](O)[C@@H](COC(=O)[C@@H](C)[C@]1(C)O)[C@H]23 ZINC000238784485 FC Annotated Anodyne C[C@H]1OC[C@H]2[C@@H]3N(C(=O)CO)c4ccccc4[C@@]34CCN3C[C@@H]1[C@@H]2C[C@]34O ZINC000238784530 FC Annotated Anodyne Cc1cc2c(c(C)c1CCO)C(=O)[C@@H](C)[C@@H]2O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000238784604 FC Annotated Anodyne CC(=O)OCC1=C2/C(=C\[C@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@H]2O)OC1=O ZINC000238785286 FC Annotated Anodyne C/C=C1\C[C@@H](C)[C@@H](O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000238785299 FC Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@](C)(O)CO)=C/C[C@@H]12 ZINC000238785343 FC Annotated Mild C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3C[C@@H](O)[C@H](COC(=O)[C@@]1(C)O)[C@@H]23 ZINC000238785632 FC Annotated Mild C[C@@H]1CC(=O)[C@@]2(C)C(=O)O[C@@H]3CCN(C)CC=C(COC(=O)[C@@]12C)C3=O ZINC000238785723 FC Annotated Mild C=C1[C@@H]2CC[C@H]3[C@]45CC[C@@H](O)C(C)(C)[C@H]4[C@H](O)[C@@](O)(OC5)[C@@]3([C@@H]1O)[C@@H]2O ZINC000238785742 FC Annotated Mild CC1(C)C=CC(=O)[C@]23CO[C@](O)([C@@H](O)[C@H]12)[C@@]12C[C@@H](CC[C@@H]31)[C@@](C)(O)C2=O ZINC000238786275 FC Annotated Mild C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5OC(=O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000238786919 FC Annotated Mild CC1(C)C=CC(=O)[C@]23CO[C@](O)([C@@H](O)[C@H]12)[C@@]12C[C@@H](CC[C@@H]31)[C@](C)(O)C2=O ZINC000238787919 FC Annotated Mild CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@H]3C[C@@H](O)[C@@H](O)[C@@]2(C)[C@H]31 ZINC000238787926 FC Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(CO)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238787990 FC Annotated Mild C/C=C1/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@@](C)(O)[C@H](C)[C@@H]1O)[C@H]23 ZINC000238789244 FC Annotated Anodyne CC[C@@]1(CO)N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@H]1[C@@H]3O ZINC000238789266 FC Annotated Anodyne C/C=C1/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@](C)(O)[C@H](C)[C@H]1O)[C@H]23 ZINC000238789310 FC Annotated Anodyne CSCCCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238789528 FC Annotated Mild COc1cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)ccc1-n1cnnn1 ZINC000245229695 FC Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)NC2CCCCC2)[C@H]3C1=O ZINC000248319640 FC Annotated Anodyne O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NC[C@H]1CCCO1 ZINC000002601917 FC Annotated Anodyne O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NC[C@@H]1CCCO1 ZINC000002601918 FC Annotated Anodyne Cn1c(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c(=O)c2ccccc21 ZINC000002922905 FC Annotated Anodyne CCOc1ccc(OCC)c(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC000002927892 FC Annotated Anodyne C=CCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000002964786 FC Annotated Mild COCCOCCOCC[N@+]1(C)CCC[C@@H]1COCCOCCOC ZINC000253632971 FC Annotated Bother COCCOCCOCC[N@+]1(C)CCC[C@H]1COCCOCCOC ZINC000253632973 FC Annotated Bother COCCOCCOCC[N@@+]1(C)CCC[C@H]1COCCOCCOC ZINC000253632974 FC Annotated Bother COCCOCCOCC[N@@+]1(C)CCC[C@@H]1COCCOCCOC ZINC000253632976 FC Annotated Bother C[C@@H]1S[C@H](O[P@](=O)(O)OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O ZINC000253633687 FC Annotated Anodyne C[C@@H]1S[C@H](O[P@](=O)(O)OCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O ZINC000253633688 FC Annotated Anodyne C[C@@H]1S[C@H](O[P@](=O)(O)OCc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000253633689 FC Annotated Anodyne C[C@@H]1S[C@H](O[P@](=O)(O)OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253633690 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[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 ZINC000253636922 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[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 ZINC000253636924 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[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 ZINC000253636925 FC Annotated Anodyne CCOP(=O)(C[C@@H]1C[C@H](N2C=N[C@H]3C(N)=NC=N[C@H]32)ON1C)OCC ZINC000253659888 FC Annotated Anodyne CCOP(=O)(C[C@@H]1C[C@H](N2C=N[C@@H]3C(N)=NC=N[C@H]32)ON1C)OCC ZINC000253659896 FC Annotated Anodyne C[C@](O)(C[C@@H]1C=C(CO)C(=O)O1)[C@H]1COc2ccc3ccc(=O)oc3c2O1 ZINC000253664800 FC Annotated Anodyne C[C@@H]1CC(=O)[C@]2(O)[C@](O)(CC[C@]34O[C@@]23C(=O)c2cccc(O)c2[C@H]4O)C1 ZINC000253666556 FC Annotated Anodyne C[C@@H]1CC(=O)[C@]2(O)[C@](O)(CC[C@]34O[C@]23C(=O)c2cccc(O)c2[C@H]4O)C1 ZINC000253666562 FC Annotated Anodyne C[C@@H]1CC(=O)[C@]2(O)[C@](O)(CC[C@]34O[C@@]23C(=O)c2cccc(O)c2[C@@H]4O)C1 ZINC000253666569 FC Annotated Anodyne C/C=C/C(=O)OCC1=C[C@H](O)[C@@H]2O[C@](C)(OC)[C@@](C)(OC)O[C@H]2C1=O ZINC000253667929 FC Annotated Mild C/C=C/C(=O)OCC1=C[C@H](O)[C@@H]2O[C@](C)(OC)[C@@](C)(OC)O[C@@H]2C1=O ZINC000253667935 FC Annotated Mild COC(=O)[C@H](O)CS[C@@H]1CC(=O)O[C@H](C)CCCCC[C@@H](O)C1=O ZINC000253668122 FC Annotated Anodyne COC(=O)[C@H](O)CS[C@@H]1CC(=O)O[C@@H](C)CCCCC[C@H](O)C1=O ZINC000253668127 FC Annotated Anodyne COC(=O)[C@H](O)CS[C@@H]1CC(=O)O[C@H](C)CCCCC[C@H](O)C1=O ZINC000253668131 FC Annotated Anodyne O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(CN3CCNCC3)[C@H]2F)C1=O ZINC000253674010 FC Annotated Mild CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4[C@@H](O)[C@@]3(C[C@H](O)[C@@]21O)C[C@@]4(C)O ZINC000253680279 FC Annotated Anodyne CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@H]3CC[C@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000253680287 FC Annotated Anodyne CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@H]3CC[C@H]4[C@@H](O)[C@@]3(C[C@H](O)[C@@]21O)C[C@@]4(C)O ZINC000253680293 FC Annotated Anodyne CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000253680299 FC Annotated Anodyne COc1cc(C=c2nc(O)c(=Cc3ccccn3)nc2O)cc(OC)c1 ZINC000253684884 FC Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000253689981 FC Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000253689988 FC Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000253689996 FC Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000253690004 FC Annotated Anodyne CNC1=N[S@](=O)N=C1Nc1cccc(-c2csc(N=C(N)N)n2)c1 ZINC000253701941 FC Annotated Mild CNC1=N[S@@](=O)N=C1Nc1cccc(-c2csc(N=C(N)N)n2)c1 ZINC000253701946 FC Annotated Mild COc1cc(O)c(CN[C@@H]2C=C[C@H](O)[C@@H](O)[C@H]2O)c(Br)c1 ZINC000253870019 FC Annotated Clean COc1cc(O)c(CN[C@@H]2C=C[C@H](O)[C@H](O)[C@H]2O)c(Br)c1 ZINC000253870020 FC Annotated Clean C#CCN[C@@H]1[C@@H](O)[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)CC[C@@]12COC(C)=O ZINC000253883869 FC Annotated Mild C[C@H](Cl)C(=O)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34 ZINC000254015000 FC Annotated Reactive C[C@H](Cl)C(=O)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34 ZINC000254015007 FC Annotated Reactive CN(C)[C@@H]1CCN([C@H]2CS(=O)(=O)N[C@H]2COCc2ccccc2)C1 ZINC000254048481 FC Annotated Anodyne CN(C)[C@@H]1CCN([C@@H]2CS(=O)(=O)N[C@H]2COCc2ccccc2)C1 ZINC000254048482 FC Annotated Anodyne CN(C)[C@@H]1CCN([C@H]2CS(=O)(=O)N[C@@H]2COCc2ccccc2)C1 ZINC000254048484 FC Annotated Anodyne CC1(C)O[C@@H]2O[C@@H]3[C@H](CNCCO)O[C@H](c4ccccc4)O[C@@H]3[C@@H]2O1 ZINC000254129644 FC Annotated Anodyne CC1(C)O[C@@H]2O[C@@H]3[C@H](CNCCO)O[C@H](c4ccccc4)O[C@H]3[C@H]2O1 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C[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)C(=O)[C@H]2[C@]31C ZINC000255222265 FC Annotated Anodyne CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@@H]4OC[C@@]31[C@H]42 ZINC000255228428 FC Annotated Anodyne C[C@]12CC[C@H]3C(=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]34C)[C@]1(O)CCC2=O ZINC000255251805 FC Annotated Mild CC1(C)[C@H]2O[C@H]2[C@@H]2[C@](C)(O)[C@H]3CC[C@@H]4C[C@]3(C[C@@]4(C)O)[C@H](O)[C@@H](O)[C@@]21O ZINC000255258522 FC Annotated Anodyne CC1(C)[C@H]2O[C@H]2[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4C[C@]3(C[C@@]4(C)O)[C@H](O)[C@@H](O)[C@@]21O ZINC000255258523 FC Annotated Anodyne C[C@@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@](C)(O)[C@@H]42)[C@@]13C ZINC000255264504 FC Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](O)C[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6O ZINC000255271671 FC Annotated Anodyne C[C@@H]1[C@@H]2[C@@H](O)[C@H](O)C(C)(C)[C@]23O[C@]12CC[C@@H]1[C@H](O)[C@@]2(C[C@H]3O)C[C@@]1(C)O ZINC000255273843 FC Annotated Anodyne CC1(C)[C@H]2O[C@H]2[C@@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000255274127 FC Annotated Anodyne CC1(C)[C@H]2O[C@H]2[C@@H]2[C@@]1(O)[C@@H](O)C[C@@]13C[C@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@H]3O ZINC000255274128 FC Annotated Anodyne CO[C@H]1[C@H]2CCN[C@H]3C[C@H]4[CH][C@H]5OCO[C@H]5[CH][C@@H]4[C@H]([C@@H]32)[C@@H](O)[C@H]1OC ZINC000255278892 FC Annotated Anodyne C=C1C[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000257416222 FC Annotated Mild C=C1C[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257416223 FC Annotated Mild C=C1C[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257416224 FC Annotated Mild C=C1C[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257416225 FC Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000257425209 FC Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000257425210 FC Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]4O[C@@H]4[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000257425211 FC Annotated Mild C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@]2(O)C[C@H](O)[C@@H](C)[C@@H]42)[C@]13C ZINC000257438143 FC Annotated Anodyne C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@@]2(O)C[C@H](O)[C@@H](C)[C@@H]42)[C@]13C ZINC000257438144 FC Annotated Anodyne C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@]2(O)C[C@@H](O)[C@@H](C)[C@@H]42)[C@]13C ZINC000257438145 FC Annotated Anodyne C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@@]2(O)C[C@@H](O)[C@@H](C)[C@@H]42)[C@]13C ZINC000257438146 FC Annotated Anodyne C[C@@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@@H]23 ZINC000257441763 FC Annotated Anodyne C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257488033 FC Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257488034 FC Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257488035 FC Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000257488036 FC Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257489639 FC Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257489640 FC Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257489641 FC Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000257489642 FC Annotated Mild C[C@@H]1O[C@H](Oc2ccc(C/N=C(/S)OC#N)cc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000257498799 FC Annotated Mild C[C@@H]1O[C@H](Oc2ccc(C/N=C(/S)OC#N)cc2)[C@H](O)[C@@H](O)[C@H]1O ZINC000257498800 FC Annotated Mild C[C@@H]1O[C@H](Oc2ccc(C/N=C(/S)OC#N)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257498801 FC Annotated Mild C[C@@H]1O[C@H](Oc2ccc(C/N=C(/S)OC#N)cc2)[C@H](O)[C@H](O)[C@H]1O ZINC000257498802 FC Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]12OC(=O)[C@](C)([C@@H]1[C@@H]3C(=O)O)[C@H](O)C[C@@H]2O ZINC000257523636 FC Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12OC(=O)[C@@](C)([C@H](O)C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000257523637 FC Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]12OC(=O)[C@](C)([C@@H]1[C@H]3C(=O)O)[C@H](O)C[C@@H]2O ZINC000257523638 FC Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12OC(=O)[C@@](C)([C@H](O)C[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000257523639 FC Annotated Mild COC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]2O)cc1 ZINC000257531032 FC Annotated Anodyne COC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1 ZINC000257531033 FC Annotated Anodyne COC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H](O)[C@@H]2O)cc1 ZINC000257531034 FC Annotated Anodyne C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@]2(O)CC[C@](C)(O)[C@@H]42)[C@]13C ZINC000257541089 FC Annotated Anodyne C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@]2(O)CC[C@@](C)(O)[C@@H]42)[C@]13C ZINC000257541090 FC Annotated Anodyne C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@@]2(O)CC[C@](C)(O)[C@@H]42)[C@]13C ZINC000257541091 FC Annotated Anodyne C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@](C)(O)[C@@H]42)[C@]13C ZINC000257541092 FC Annotated Anodyne C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000257541598 FC Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257541599 FC Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257541600 FC Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257541601 FC Annotated Mild in-man endogenous O=C(OC[C@H](O)[C@@H](O)[C@H](O)COC(=O)c1ccccc1)c1ccccc1 ZINC000257559312 FC Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@H](O)[C@@H]1O)[C@@H]2[C@H]3C(=O)O ZINC000257562215 FC Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@H](O)[C@@H]1O)[C@@H]2[C@@H]3C(=O)O ZINC000257562216 FC Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@H](O)[C@@H]1O)[C@H]2[C@H]3C(=O)O ZINC000257562217 FC Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(C[C@H](O)[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000257562218 FC Annotated Mild CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@@](O)(O3)[C@@](C)(O)C[C@@H]2O)OC1=O ZINC000257583343 FC Annotated Anodyne biogenic C=CCN(C)S(=O)(=O)c1ccc(-n2ncc(=O)[nH]c2=O)cc1Cl ZINC000026020375 FC Annotated Mild C[C@@H]1S[C@@H](O[P@@](=O)(O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026152819 FC Annotated Anodyne C[C@H]1S[C@@H](O[P@@](=O)(O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026152825 FC Annotated Anodyne C[C@@H]1S[C@H](O[P@](=O)(O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026152832 FC Annotated Anodyne C[C@H]1S[C@H](O[P@](=O)(O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026152839 FC Annotated Anodyne CN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)c2n3CCN2C)CC1 ZINC000026153223 FC Annotated Anodyne CCSC[S@@](=O)C[C@H](C)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000026156691 FC Annotated Anodyne CCSC[S@](=O)C[C@H](C)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O ZINC000026156698 FC Annotated Anodyne N[C@@H]1CCN(c2nc3c(cc2O)c(=O)c(C(=O)O)cn3-c2nccs2)C1 ZINC000026175274 FC Annotated Anodyne N[C@H]1CCN(c2nc3c(cc2O)c(=O)c(C(=O)O)cn3-c2nccs2)C1 ZINC000026175280 FC Annotated Anodyne Nc1cc2c(=O)c(C(=O)O)cn(-c3nccs3)c2nc1N1CC[C@@H](N)C1 ZINC000026175286 FC Annotated Anodyne Nc1cc2c(=O)c(C(=O)O)cn(-c3nccs3)c2nc1N1CC[C@H](N)C1 ZINC000026175292 FC Annotated Anodyne O=C(O)c1cn(-c2nccs2)c2nc(N3CCNCC3)ccc2c1=O ZINC000026180294 FC Annotated Anodyne CNC1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026188078 FC Annotated Anodyne Nc1cc(N2CC[C@@H](N)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1 ZINC000026248267 FC Annotated Anodyne Nc1cc(N2CC[C@H](N)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1 ZINC000026248273 FC Annotated Anodyne CC(C)[C@H](C(=O)O)N1C(=O)[C@@H](NC(=O)COc2ccccc2)C[S@]1=O ZINC000026250318 FC Annotated Anodyne CC(C)[C@H](C(=O)O)N1C(=O)[C@@H](NC(=O)COc2ccccc2)C[S@@]1=O ZINC000026250325 FC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3cccnc3)S[C@H]12 ZINC000026258081 FC Annotated Anodyne C[C@H]1C(/C=C/Cn2cc[n+]3ccccc23)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026269658 FC Annotated Anodyne C[C@H]1C(C[n+]2ccc(-c3cnco3)cc2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026281619 FC Annotated Clean CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H](CNC(=O)[C@H](N)c3ccccc3)[C@H]2O1 ZINC000026292822 FC Annotated Anodyne CSC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2CC1 ZINC000026377202 FC Annotated Anodyne CC(C)(O)C(=O)Nc1ccc(S(=O)(=O)N2CCNCC2)cc1Cl ZINC000026379811 FC Annotated Anodyne C[N+]1=CNC[C@]1(C)C[C@@H](NC(=O)c1cc(Br)c[nH]1)C(=O)O ZINC000026385712 FC Annotated Anodyne C[N+]1=CNC[C@]1(C)C[C@H](NC(=O)c1cc(Br)c[nH]1)C(=O)O ZINC000026385716 FC Annotated Anodyne CN1CCC(CCC(=O)N2CCC[C@@H](C(=O)NCCC(=O)O)C2)CC1 ZINC000026402663 FC Annotated Anodyne O=C(O)CCNC(=O)[C@@H]1CCCCN(C(=O)CCC2CCNCC2)C1 ZINC000026404076 FC Annotated Anodyne Cc1cc(CN/C(N)=N/C(N)=S)c(C)cc1CNC(=N)CC(N)=S ZINC000026499178 FC Annotated Mild O=C(OCn1ncc2c(=O)[nH]cnc21)c1cccc(CN2CCOCC2)c1 ZINC000026499826 FC Annotated Anodyne O=C1C=C(O)/C(=C/NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)C=C1[N+](=O)[O-] ZINC000261098300 FC Annotated Mild CC(C)(Oc1ccc(C#N)cn1)C(=O)N[C@H]1[C@H]2COC[C@H]1C[C@H](C(N)=O)C2 ZINC000261161145 FC Annotated Mild COC(=O)[C@]12CCCN1[C@H]1C(=O)N(Cc3ccc(C(N)=O)cc3)C[C@H]1C2 ZINC000263590503 FC Annotated Anodyne COC(=O)[C@]12CCCN1[C@@H]1C(=O)N(Cc3ccc(C(N)=O)cc3)C[C@@H]1C2 ZINC000263590504 FC Annotated Anodyne COC(=O)[C@]12CCCN1[C@@H]1C(=O)N(Cc3ccc(C(N)=O)cc3)C[C@H]1C2 ZINC000263590505 FC Annotated Anodyne O=C1C=CC=C/C1=c1\[nH]c2n(c1=Nc1ccc3c(c1)OCCO3)C=CNC=2 ZINC000263592115 FC Annotated Mild O=C1C=CC([N+](=O)[O-])=C/C1=C\NN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 ZINC000263592164 FC Annotated Mild O=C1C=CC([N+](=O)[O-])=C/C1=C\NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C12CC2 ZINC000263592165 FC Annotated Mild O=C1C=CC(Br)=C/C1=c1/[nH]c2n(c1=NC1CCCC1)C=CNC=2 ZINC000263592298 FC Annotated Mild O=C1C=CC(=c2[nH]c3n(c2=Nc2ccc4c(c2)OCCO4)C=CNC=3)C=C1 ZINC000263592340 FC Annotated Mild C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 ZINC000263593299 FC Annotated Anodyne C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23 ZINC000263593300 FC Annotated Anodyne O=C(O)/C=C(\C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@@H]1[C@H]5[C@H]4C[C@H]32 ZINC000263601369 FC Annotated Anodyne O=C(O)/C=C(\C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@@H]1[C@@H]5[C@H]4C[C@H]32 ZINC000263601370 FC Annotated Anodyne C[C@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000263621003 FC Annotated Anodyne COC(=O)[C@H](O[C@H]1CC[C@@H](n2cc(C)c(O)nc2=O)C1)P(=O)(O)O ZINC000263621159 FC Annotated Anodyne C/C=C1\C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC1=O)[C@@]23O ZINC000263638228 FC Annotated Bother C/C=C1\C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC1=O)[C@]23O ZINC000263638229 FC Annotated Bother C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC1=O)[C@]23O ZINC000263638230 FC Annotated Bother C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC1=O)[C@@]23O ZINC000263638231 FC Annotated Bother O=C(OCn1ncc2c(=O)[nH]cnc21)c1ccc(CN2CCOCC2)cc1 ZINC000026509090 FC Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(CCl)CS(=O)(=O)[C@H]12 ZINC000026572366 FC Annotated Reactive CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(CCl)CS(=O)(=O)[C@@H]12 ZINC000026572369 FC Annotated Reactive Nc1nc(=O)n([C@@H]2CS[C@@H](CO)O2)cc1I ZINC000026578132 FC Annotated Anodyne O=c1[nH]c2ccccc2n(N/C(O)=N/S(=O)(=O)c2ccccc2)c1=O ZINC000026579398 FC Annotated Mild CSC/C(=C\[C@@H]1CCCN1)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2C1 ZINC000026580027 FC Annotated Anodyne NCC(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000026580105 FC Annotated Bother Cc1ccccc1S(=O)(=O)/N=C(\O)Nn1c(=O)c(=O)[nH]c2ccccc21 ZINC000026580227 FC Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)Nn2c(=O)c(=O)[nH]c3ccccc32)cc1 ZINC000026637441 FC Annotated Mild CN(C(=O)CNC(=O)CN)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000026639332 FC Annotated Bother C[C@@H](CC[C@@H](O)[C@H](C)[C@H](O)[C@H](C)CCO)[C@H](O)[C@H](C)[C@@H](O)CCO ZINC000026652484 FC Annotated Anodyne O=C(O)CN1[C@@H](C(=O)O)Nc2cc(Cl)cc(Cl)c2S1(=O)=O ZINC000026656618 FC Annotated Anodyne O=C(O)CN1[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c2S1(=O)=O ZINC000026656622 FC Annotated Anodyne NCCNCCCCCNC1=C(c2cc3ccccc3[nH]2)C(=O)NC1=O ZINC000026717472 FC Annotated Anodyne Cc1nc(N2CCN(Cc3ccccc3)CC2)c(C#N)c(=O)n1CC(=O)O ZINC000026724732 FC Annotated Mild Cn1ncc2c(c1=O)OCCCN2C(=O)CNCCOc1ccccc1 ZINC000026727978 FC Annotated Anodyne Cn1ncc2c(c1=O)OCCCN2C(=O)CCNCCOc1ccccc1 ZINC000026731813 FC Annotated Anodyne CN(C)c1ncnc2c1ncn2CCCCCOC(=O)NCC(=O)O ZINC000026731902 FC Annotated Anodyne CCNC(=O)Cn1c(=O)c(O)nc2cc([N+](=O)[O-])c(-n3cccc3)cc21 ZINC000026740989 FC Annotated Bother O=c1n([C@H]2CO[C@@H](CO)O2)ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 ZINC000026829170 FC Annotated Bother O=c1n([C@H]2CO[C@H](CO)O2)ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 ZINC000026829175 FC Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@@H](C(N)=O)C3)c(F)c2)C(=O)O1 ZINC000026831889 FC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@H](C(N)=O)C3)c(F)c2)C(=O)O1 ZINC000026831893 FC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CO[C@@H](C/N=C/N)C3)[C@H](C)[C@H]12 ZINC000026831897 FC Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CO[C@@H](C/N=C/N)C3)[C@H](C)[C@H]12 ZINC000026831901 FC Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CO[C@H](C/N=C/N)C3)[C@H](C)[C@H]12 ZINC000026831905 FC Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CO[C@H](C/N=C/N)C3)[C@H](C)[C@H]12 ZINC000026831909 FC Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CCO[C@@H]3C/N=C\N)[C@H](C)[C@H]12 ZINC000026833636 FC Annotated Mild O=P(O)(O)C[C@H]1CC[C@@H](CP(=O)(O)O)[C@H](CP(=O)(O)O)C1 ZINC000026834224 FC Annotated Anodyne O=P(O)(O)C[C@H]1CC[C@@H](CP(=O)(O)O)C[C@H]1CP(=O)(O)O ZINC000026834227 FC Annotated Anodyne O=P(O)(O)C[C@H]1CC[C@H](CP(=O)(O)O)[C@H](CP(=O)(O)O)C1 ZINC000026834231 FC Annotated Anodyne C=CCOc1ccc(C(=O)N[C@@H](CO)C(=O)NO)cc1OC(F)(F)F ZINC000026838823 FC Annotated Mild CN1Cc2cc(C(=O)NCc3ncc[nH]3)ccc2N[C@@H](CC(=O)O)C1=O ZINC000026937710 FC Annotated Anodyne NC(=O)c1cn(-c2nccs2)c2nc(N3CC[C@@H](N)C3)c(F)cc2c1=O ZINC000026942602 FC Annotated Anodyne NC(=O)c1cn(-c2nccs2)c2nc(N3CC[C@H](N)C3)c(F)cc2c1=O ZINC000026942610 FC Annotated Anodyne CCC(=O)OCC(COC(=O)CC)OCn1cnc2c(F)nc(N)nc21 ZINC000026970352 FC Annotated Anodyne CCOC(=O)CN1c2nc(-c3ccccc3)cnc2C(N)=NS1(=O)=O ZINC000026988951 FC Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCN)CC(=O)O1 ZINC000026991504 FC Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)CCN)CC(=O)O1 ZINC000026991511 FC Annotated Anodyne CC(C)CNCc1c(C(=O)NCc2ccncc2)nnn1-c1nonc1N ZINC000026996828 FC Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCO)CC(=O)O1 ZINC000027073907 FC Annotated Anodyne NC(=O)c1cc([C@@H](O)CN2CCN(C(=O)c3ccco3)CC2)ccc1O ZINC000027086377 FC Annotated Anodyne NC(=O)c1cc([C@H](O)CN2CCN(C(=O)c3ccco3)CC2)ccc1O ZINC000027086382 FC Annotated Anodyne CS(=O)(=O)N(CCCl)N(C(=O)c1ccccc1)S(C)(=O)=O ZINC000027099027 FC Annotated Reactive CO[C@@H]1N([C@@H]2C[C@H](F)[C@@H](CO)O2)C(O)=NC(=O)[C@@]1(C)Br ZINC000027106683 FC Annotated Anodyne CO[C@H]1N([C@@H]2C[C@@H](F)[C@@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br ZINC000027107869 FC Annotated Anodyne CO[C@H]1N([C@H]2C[C@@H](F)[C@@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br ZINC000027107871 FC Annotated Anodyne CO[C@H]1N([C@@H]2C[C@H](F)[C@@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br ZINC000027107874 FC Annotated Anodyne CC(=O)OCC(COC(C)=O)OCn1cnc2c(Cl)nc(N)nc21 ZINC000027110164 FC Annotated Anodyne C=CCn1c(=O)n(CCc2ccc(OC)c(OC)c2)c2nc(N)[nH]c(=O)c21 ZINC000027184262 FC Annotated Mild N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N2CCOCC2)c1 ZINC000027206703 FC Annotated Anodyne NNC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000027209007 FC Annotated Reactive NNC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000027209011 FC Annotated Reactive CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)/C=C/CNC3CC3)[C@@H]12 ZINC000027309473 FC Annotated Anodyne Cc1nc2c(nc1C)N(CCN(C(C)C)C(C)C)S(=O)(=O)N=C2N ZINC000027313875 FC Annotated Anodyne O=C[n+]1cccn1-c1cc2c(cc1Cl)[nH]c(=O)c1nc(C(=O)O)nn12 ZINC000027326865 FC Annotated Clean [N-]=[N+]=N[C@H](CBr)c1cn(CCC(CO)CO)c(=O)[nH]c1=O ZINC000027418197 FC Annotated Reactive [N-]=[N+]=N[C@@H](CBr)c1cn(CCC(CO)CO)c(=O)[nH]c1=O ZINC000027418202 FC Annotated Reactive CS(=O)(=O)OC[C@@H]1CN(S(C)(=O)=O)c2cc(O)c([N+](=O)[O-])cc21 ZINC000027419018 FC Annotated Mild CS(=O)(=O)OC[C@H]1CN(S(C)(=O)=O)c2cc(O)c([N+](=O)[O-])cc21 ZINC000027419023 FC Annotated Mild CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCN(C(=O)CO)C3)C(=O)O1 ZINC000027421089 FC Annotated Anodyne CCCCOC(=O)CN(C)CC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2S1 ZINC000027423695 FC Annotated Anodyne OCC(CO)OCn1cnc2c(O)n3cc(-c4ccccc4)nc3nc21 ZINC000027426814 FC Annotated Anodyne N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N3CCC(=O)[C@@H](C(=O)O)C3)C2)cc1 ZINC000027518917 FC Annotated Anodyne N=C(N)c1ccc(C2=NO[C@H](CC(=O)N3CCC(=O)[C@@H](C(=O)O)C3)C2)cc1 ZINC000027518918 FC Annotated Anodyne O=[N+]([O-])c1cccc2c1cnn2[C@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O ZINC000027519248 FC Annotated Bother O=[N+]([O-])c1cccc2c1ncn2[C@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@@H]1O ZINC000027519808 FC Annotated Bother O=[N+]([O-])c1cccc2c1ncn2[C@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O ZINC000027519810 FC Annotated Bother O=[N+]([O-])c1cccc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@@H]1O ZINC000027519812 FC Annotated Bother O=[N+]([O-])c1cccc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O ZINC000027519814 FC Annotated Bother CC(C)(C)C(=O)OCn1nc([C@@H]2O[C@H](CO)C[C@H]2O)c2ncnc(N)c21 ZINC000027523159 FC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNc3cc[n+](C)cc3)C[C@H]12 ZINC000027524438 FC Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNc3cc[n+](C)cc3)C[C@H]12 ZINC000027524439 FC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNc3cccc[n+]3C)C[C@H]12 ZINC000027524524 FC Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNc3cccc[n+]3C)C[C@H]12 ZINC000027524525 FC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC3=NCCCC3)C[C@H]12 ZINC000027524526 FC Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC3=NCCCC3)C[C@H]12 ZINC000027524527 FC Annotated Anodyne O=C(c1ccccc1)c1ccc(NCCO)c2c1NC(CO)(CO)CO2 ZINC000027555588 FC Annotated Clean O=C(c1ccccc1)c1ccc(NC(CO)CO)c2c1N[C@@H](CO)CO2 ZINC000027555590 FC Annotated Clean O=C(c1ccccc1)c1ccc(NC(CO)CO)c2c1N[C@H](CO)CO2 ZINC000027555591 FC Annotated Clean Nc1nc(N)n(CCOCP(=O)(O)O)c(=O)c1Cc1ccccc1 ZINC000027558301 FC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C(N)=O)cn3)c(F)c2)C(=O)O1 ZINC000027559665 FC Annotated Anodyne COC(=O)/N=c1\[nH]c2ccc(C(=O)N3CCN(C(=O)N(C)C)CC3)cc2[nH]1 ZINC000027622873 FC Annotated Anodyne CC[C@@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)N(C)CC(=O)O ZINC000027629933 FC Annotated Anodyne CCCCOC(=O)CN(C)CC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]2S1 ZINC000027630059 FC Annotated Anodyne CC[C@@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)N(C)CC(=O)O ZINC000027631041 FC Annotated Anodyne CC[C@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)OCC(=O)O ZINC000027631177 FC Annotated Anodyne CC[C@@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)OCC(=O)O ZINC000027631182 FC Annotated Anodyne CC[C@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)OCC(=O)O ZINC000027631186 FC Annotated Anodyne CC(=O)Oc1nc2cc3c(=O)n(C)c(OC(C)=O)nc3cc2c(=O)n1C ZINC000027631546 FC Annotated Bother NCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccncc1-2 ZINC000027633220 FC Annotated Clean CC[C@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(=O)N(C)CC(=O)O ZINC000027635361 FC Annotated Anodyne CC[C@H]1C(=O)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)N(C)CC(=O)O ZINC000027635483 FC Annotated Anodyne O=C1c2ccncc2-c2nn(CCNCCO)c3ccc(NCCO)c1c23 ZINC000027635720 FC Annotated Clean N[C@@H]1CCN(c2ncc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000027643144 FC Annotated Anodyne N[C@H]1CCN(c2ncc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000027643151 FC Annotated Anodyne CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(COC(=O)CCl)CC1 ZINC000027652701 FC Annotated Reactive C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000027655606 FC Annotated Anodyne C/C=C/C(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000027655609 FC Annotated Anodyne CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@](C)([C@@]2(CO)CC1)[C@@]31CO1 ZINC000027656022 FC Annotated Reactive CC1=C[C@H]2O[C@@H]3[C@H](OC(=O)CCl)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1 ZINC000027656202 FC Annotated Reactive O=C(O)CCCN1C(=O)C[C@@]2(CC(CCC3CCNCC3)=NO2)C1=O ZINC000027656886 FC Annotated Anodyne O=C(O)CCCN1C(=O)C[C@]2(CC(CCC3CCNCC3)=NO2)C1=O ZINC000027656888 FC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3n(C)cc[n+]3C)[C@H](C)[C@@H]12 ZINC000027705412 FC Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3n(C)cc[n+]3C)[C@H](C)[C@@H]12 ZINC000027705415 FC Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3n(C)cc[n+]3C)[C@H](C)[C@H]12 ZINC000027705420 FC Annotated Anodyne C=C1[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2C(C(=O)O)=CC1(C)C ZINC000027728031 FC Annotated Mild C=C1[C@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2C(C(=O)O)=CC1(C)C ZINC000027728037 FC Annotated Mild C=C1[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2C(C(=O)O)=CC1(C)C ZINC000027728040 FC Annotated Mild C=C1[C@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2C(C(=O)O)=CC1(C)C ZINC000027728047 FC Annotated Mild CC(=O)NC[C@@H]1O[C@@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000027767356 FC Annotated Anodyne COc1cc2nc3cc(C(=O)Nc4nnn[nH]4)nn3c(O)c2cc1OC ZINC000027852460 FC Annotated Anodyne CC(C)NS(=O)(=O)N1N=C(OS(C)(=O)=O)C[C@@H]1c1ccccc1 ZINC000027871910 FC Annotated Mild CC(C)NS(=O)(=O)N1N=C(OS(C)(=O)=O)C[C@H]1c1ccccc1 ZINC000027871917 FC Annotated Mild CS(=O)(=O)N(CCCl)N(C(=O)NCCCCl)S(C)(=O)=O ZINC000027893630 FC Annotated Reactive NCCCNCCCCCCCNCCCNc1nc(N)nc(N)n1 ZINC000027893951 FC Annotated Anodyne N#Cc1ccc(C(=O)c2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc2)cc1 ZINC000027999019 FC Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-n3nnc(/C=N/O)n3)c(F)c2)C(=O)O1 ZINC000028006403 FC Annotated Mild CCOC(=O)N1CCN(C(=S)N/N=C(\C)c2cccc[n+]2[O-])CC1 ZINC000028009602 FC Annotated Mild COc1cc(CC(=O)N(O)CCOC(=O)[C@@H](N)CCSC)ccc1O ZINC000028013452 FC Annotated Anodyne COc1cc(/C=c2\[nH]c(=O)/c(=C/c3cccs3)[nH]c2=O)cc(OC)c1 ZINC000028023010 FC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc(/C=N/O)nn3)c(F)c2)C(=O)O1 ZINC000028087379 FC Annotated Mild COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3[N+](=O)[O-])[nH]c2=O)cc1 ZINC000028091470 FC Annotated Bother C#CCN[C@@H]1[C@@H](O)[C@]2(C)[C@@]3(COC(C)=O)CCC(C)=C[C@@H]3O[C@H]1[C@]21CO1 ZINC000028091745 FC Annotated Mild C#CCN[C@@H]1[C@@H](O)[C@]2(C)[C@@]3(COC(C)=O)CCC(C)=C[C@H]3O[C@H]1[C@]21CO1 ZINC000028091754 FC Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@H](NCCO)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000028091759 FC Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](NCCO)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000028091764 FC Annotated Anodyne CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3NC(=O)[C@@H]1CCCN1 ZINC000028103034 FC Annotated Mild CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3NC(=O)[C@H]1CCCN1 ZINC000028103040 FC Annotated Mild NCCCN1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028114858 FC Annotated Mild NCCCN1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028114864 FC Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@@]1(CS2)NC(=O)N(CCCO)C1=O ZINC000028119276 FC Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@]1(CS2)NC(=O)N(CCCO)C1=O ZINC000028119281 FC Annotated Mild CCCCNS(=O)(=O)n1nc(C(=O)NC)c2c1-c1c[nH]nc1CC2 ZINC000028125135 FC Annotated Anodyne CN(C)CCN1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028125544 FC Annotated Mild CN(C)CCN1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028125551 FC Annotated Mild CCCCNS(=O)(=O)n1nc(C(=O)NC)c2ccc3[nH]ncc3c21 ZINC000028127565 FC Annotated Anodyne O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCNCCO ZINC000028229175 FC Annotated Bother CC(=O)NC[C@@H]1OC(=O)N2c3ccc(S(=O)(=O)N(C)C)cc3C[C@@H]12 ZINC000028237621 FC Annotated Anodyne CCNS(=O)(=O)c1ccc2c(c1)C[C@H]1[C@H](CNC(C)=O)OC(=O)N21 ZINC000028238087 FC Annotated Anodyne CN1C[C@H]2CN(c3cc4c(cc3F)c(=O)n(O)c(=O)n4C3CC3)C[C@H]2C1 ZINC000028373648 FC Annotated Anodyne CN1C[C@H]2CN(c3cc4c(cc3F)c(=O)n(O)c(=O)n4C3CC3)C[C@@H]2C1 ZINC000028373655 FC Annotated Anodyne CN1C[C@@H]2CN(c3cc4c(cc3F)c(=O)n(O)c(=O)n4C3CC3)C[C@H]2C1 ZINC000028373662 FC Annotated Anodyne CC(=O)NCn1cc(-c2ccc(C3=CCN(C(=O)CO)CC3)cc2)c(=O)o1 ZINC000028464164 FC Annotated Anodyne COc1cc(O)c(CN[C@@H]2C=C[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c1 ZINC000028465494 FC Annotated Clean COc1cc(O)c(CN[C@H]2C=C[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c1 ZINC000028465499 FC Annotated Clean COc1cc(O)c(CN[C@@H]2C=C[C@H](O)[C@@H](O)[C@@H]2O)c(Br)c1 ZINC000028465504 FC Annotated Clean COc1cc(O)c(CN[C@H]2C=C[C@H](O)[C@@H](O)[C@@H]2O)c(Br)c1 ZINC000028465508 FC Annotated Clean CC(=O)NCn1cc(-c2ccc(C3CCN(C(=O)CO)CC3)cc2)c(=O)o1 ZINC000028466616 FC Annotated Anodyne O=C(Nc1nnc(S)s1)NS(=O)(=O)Nc1nnc(S)s1 ZINC000028520751 FC Annotated Anodyne C=C(NC(=O)c1cnccn1)C(=O)N[C@@H](COC(C)(C)C)C(=O)OC ZINC000028521295 FC Annotated Anodyne O=C1C=CC(=O)[C@]23O[C@]12[C@@H](O)[C@H]1O[C@H]1C31Oc2cccc3cccc(c23)O1 ZINC000028540255 FC Annotated Mild CCOC(=O)[C@@H](C)[S@@](=O)c1nnc(-c2ncc([N+](=O)[O-])n2C)s1 ZINC000028570741 FC Annotated Bother CCOC(=O)[C@H](C)[S@@](=O)c1nnc(-c2ncc([N+](=O)[O-])n2C)s1 ZINC000028570742 FC Annotated Bother CCOC(=O)[C@@H](C)[S@](=O)c1nnc(-c2ncc([N+](=O)[O-])n2C)s1 ZINC000028570743 FC Annotated Bother CCOC(=O)[C@H](C)[S@](=O)c1nnc(-c2ncc([N+](=O)[O-])n2C)s1 ZINC000028570744 FC Annotated Bother CCOC(=O)[C@@]1(NC(=O)CN)CSC2=C1C(=O)c1ccccc1C2=O ZINC000028604368 FC Annotated Mild CCOC(=O)[C@]1(NC(=O)CN)CSC2=C1C(=O)c1ccccc1C2=O ZINC000028604369 FC Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@@]1(CS2)NC(=O)[C@@H]2CCCN2C1=O ZINC000028635240 FC Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@]1(CS2)NC(=O)[C@@H]2CCCN2C1=O ZINC000028635486 FC Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@]1(CS2)NC(=O)[C@H]2CCCN2C1=O ZINC000028635495 FC Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@@]1(CS2)NC(=O)[C@H]2CCCN2C1=O ZINC000028635781 FC Annotated Mild COc1nc(I)nc2c1ncn2COCCO ZINC000028635937 FC Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@@]1(CS2)NC(=O)[C@H](CS)NC1=O ZINC000028636724 FC Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@]1(CS2)NC(=O)[C@H](CS)NC1=O ZINC000028636938 FC Annotated Mild O=C(Nc1ccn(C[C@@H]2O[C@H](CO)C=C(F)C2=O)c(=O)n1)c1ccccc1 ZINC000028641958 FC Annotated Mild O=C1O/C(=C\Cn2cc(C#Cc3ccccc3)c(=O)[nH]c2=O)C(O)=C1O ZINC000028643145 FC Annotated Mild CC(C)C[C@]1(O)NC(=O)[C@H](CCC(N)=O)n2c1nc1ccccc1c2=O ZINC000028644404 FC Annotated Anodyne C[C@]1(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@]1(O)C[C@](C)([C@@H](O)CO)CC[C@H]12 ZINC000028648784 FC Annotated Anodyne C[C@]1(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@]1(O)C[C@](C)([C@H](O)CO)CC[C@H]12 ZINC000028648788 FC Annotated Anodyne C[C@]1(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@@]1(O)C[C@](C)([C@@H](O)CO)CC[C@@H]21 ZINC000028648791 FC Annotated Anodyne C[C@]1(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C[C@H](O)[C@@]1(O)C[C@](C)([C@H](O)CO)CC[C@@H]21 ZINC000028648794 FC Annotated Anodyne CNC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(F)cc21 ZINC000028651464 FC Annotated Mild CCNC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(F)cc21 ZINC000028651470 FC Annotated Mild CC(=O)NC[C@H]1CN(c2cc(F)c(N3CC(C)(O)C3)c(F)c2)C(=O)O1 ZINC000028708284 FC Annotated Anodyne CC(C)Nc1nc(NCCO)nc2c(NC(C)C)nc(NCCO)nc12 ZINC000028710651 FC Annotated Anodyne C#CCN/C(=N/S(=O)(=O)c1cc(C)c(Cl)cc1SCC#N)NN ZINC000028712907 FC Annotated Mild Nc1nc(Cl)c2ncn(C[C@H](NC(=O)Cc3ccccc3)C(=O)O)c2n1 ZINC000028713616 FC Annotated Anodyne NCCNc1ccc2c3c(nn2CCN)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028758882 FC Annotated Clean O=C(O)c1cn2c3c([nH]c(=O)c2n1)-c1cccc(CP(=O)(O)O)c1C3 ZINC000028760420 FC Annotated Anodyne COc1ccccc1S(=O)(=O)c1ccc(-n2ncc(=O)[nH]c2=O)cc1 ZINC000028762305 FC Annotated Anodyne O=c1cnn(-c2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(=O)[nH]1 ZINC000028762868 FC Annotated Bother CC(=O)Nc1nc(Cc2nnc(SCC#N)n2NC(C)=O)cs1 ZINC000028816928 FC Annotated Mild NC(=O)[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000028825357 FC Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3cccc(/C=C/N4CCCC4=O)c3C2=O)C(=O)N1 ZINC000028862624 FC Annotated Anodyne O=C1CC[C@H](N2C(=O)c3cccc(/C=C/N4CCCC4=O)c3C2=O)C(=O)N1 ZINC000028862625 FC Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3ccc(/C=C/N4CCCC4=O)cc3C2=O)C(=O)N1 ZINC000028862653 FC Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccc(/C=C/N4CCCC4=O)cc3C2=O)C(=O)N1 ZINC000028862655 FC Annotated Anodyne COC(=O)[C@@H]1COCCN1C(=O)CS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000028863776 FC Annotated Anodyne COC(=O)[C@H]1COCCN1C(=O)CS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000028863778 FC Annotated Anodyne CC(C)C[C@@]1(NC(=O)[C@@H]2CCCN2)CC[C@@]2(C(N)=O)CCCN2C1=O ZINC000028864280 FC Annotated Anodyne CC1=CC(C(=O)NN2CCOCC2)=NS(=O)(=O)N1Cc1ccccc1 ZINC000028876161 FC Annotated Anodyne CC(C)n1c(=O)n(N)c(=O)c2cc(F)c(N3CC[C@@H](N)C3)c(Cl)c21 ZINC000028884332 FC Annotated Anodyne CC(C)n1c(=O)n(N)c(=O)c2cc(F)c(N3CC[C@H](N)C3)c(Cl)c21 ZINC000028884338 FC Annotated Anodyne N[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CCC4)c3c2Cl)C1 ZINC000028884344 FC Annotated Anodyne N[C@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CCC4)c3c2Cl)C1 ZINC000028884350 FC Annotated Anodyne N[C@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2Cl)C1 ZINC000028884394 FC Annotated Anodyne CCOc1c(N2CC[C@@H](N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000028884468 FC Annotated Anodyne CCOc1c(N2CC[C@H](N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000028884475 FC Annotated Anodyne N[C@@H]1CCN(c2c(F)c(F)c3c(=O)n(N)c(=O)n(C4CC4)c3c2F)C1 ZINC000028884578 FC Annotated Anodyne N[C@H]1CCN(c2c(F)c(F)c3c(=O)n(N)c(=O)n(C4CC4)c3c2F)C1 ZINC000028884584 FC Annotated Anodyne NC[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2Cl)C1 ZINC000028884621 FC Annotated Anodyne NC[C@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2Cl)C1 ZINC000028884627 FC Annotated Anodyne CN[C@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2Cl)C1 ZINC000028884671 FC Annotated Anodyne C[C@H](NC(=O)Cc1ccco1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21 ZINC000028899702 FC Annotated Anodyne C[C@H](NC(=O)Cc1ccco1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21 ZINC000028899707 FC Annotated Anodyne CCN(CCO[N+](=O)[O-])C(=O)COC(=O)c1ccccc1OC(C)=O ZINC000028948273 FC Annotated Anodyne Cc1c(Cl)cc2[nH]c(=O)c(=O)[nH]c2c1N(CC(=O)O)S(C)(=O)=O ZINC000028954060 FC Annotated Anodyne C/C=C/C(=O)OCC1=C[C@H](O)[C@H]2O[C@](C)(OC)[C@](C)(OC)O[C@H]2C1=O ZINC000028955076 FC Annotated Mild C/C=C/C(=O)OCC1=C[C@H](O)[C@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@H]2C1=O ZINC000028955080 FC Annotated Mild C/C=C/C(=O)OCC1=C[C@H](O)[C@@H]2O[C@](C)(OC)[C@](C)(OC)O[C@H]2C1=O ZINC000028955082 FC Annotated Mild C/C=C/C(=O)OCC1=C[C@H](O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@H]2C1=O ZINC000028955085 FC Annotated Mild O=C1c2c(ccc(O)c2O)CN1N1Cc2ccc(O)c(O)c2S1(=O)=O ZINC000028966988 FC Annotated Clean COCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@@H]2OC(C)=O)OC1=O ZINC000028970011 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(C=O)CCCC(C)(C)[C@H]1C(=O)[C@@H]3O ZINC000028973870 FC Annotated Mild C=C1C(=O)[C@@]23C(=O)[C@@H](O)[C@@H]4C(C)(C)CCC[C@@]4(C=O)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O ZINC000028973874 FC Annotated Mild C=C(C)[C@@](C)(O)[C@@](C)(O)/C=C\C[C@@](C)(O)[C@H]1CC(=O)C(CO)=C[C@@H]1O ZINC000029038824 FC Annotated Mild C=C(C)[C@](C)(O)[C@@](C)(O)/C=C\C[C@@](C)(O)[C@H]1CC(=O)C(CO)=C[C@@H]1O ZINC000029038825 FC Annotated Mild C=C(C)[C@@](C)(O)[C@](C)(O)/C=C\C[C@@](C)(O)[C@H]1CC(=O)C(CO)=C[C@@H]1O ZINC000029038827 FC Annotated Mild C=C(C)[C@](C)(O)[C@](C)(O)/C=C\C[C@@](C)(O)[C@H]1CC(=O)C(CO)=C[C@@H]1O ZINC000029038829 FC Annotated Mild C[C@@H]1CC(=O)C2=C([C@@H]3O[C@@H]3[C@]3(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]3O)[C@H]1O ZINC000029042206 FC Annotated Mild C[C@@H]1CC(=O)C2=C([C@H]1O)[C@H]1O[C@H]1[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O ZINC000029042208 FC Annotated Mild C[C@@H]1CC(=O)C2=C(C[C@@H](O)[C@]3(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]3O)[C@H]1O ZINC000029042211 FC Annotated Mild C[C@@H]1Nc2cc(C(F)(F)F)c(S(N)(=O)=O)cc2S(=O)(=O)N1C ZINC000029051340 FC Annotated Anodyne C[C@H]1Nc2cc(C(F)(F)F)c(S(N)(=O)=O)cc2S(=O)(=O)N1C ZINC000029051344 FC Annotated Anodyne O=C1c2nc3cc(-c4ccco4)nn3c(O)c2CN1CCN1CCOCC1 ZINC000029128140 FC Annotated Anodyne CS[C@@H](CCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O ZINC000029211710 FC Annotated Reactive CS[C@H](CCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O ZINC000029211716 FC Annotated Reactive CO[C@@H](CCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O ZINC000029213711 FC Annotated Reactive CO[C@H](CCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O ZINC000029213716 FC Annotated Reactive CCO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)C1 ZINC000029224140 FC Annotated Anodyne CNC1=NS(=O)N=C1Nc1cccc(-c2csc(N=C(N)N)n2)c1 ZINC000029225908 FC Annotated Mild C[C@@]12CC[C@H](CS(=O)(=O)c3nc[nH]n3)C[C@]1(C)C[C@@H](C(=O)O)NC2 ZINC000029227369 FC Annotated Anodyne C[C@@]12CC[C@H](CS(=O)(=O)c3nc[nH]n3)C[C@]1(C)C[C@H](C(=O)O)NC2 ZINC000029227373 FC Annotated Anodyne Nc1nc(N)c(CCCNc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000029232842 FC Annotated Bother CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NC1(C(N)=O)CCCCC1 ZINC000029234159 FC Annotated Anodyne COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)CCCCCCC1 ZINC000029320493 FC Annotated Anodyne CC(=O)N[C@@H](CSC(=O)c1ccccc1)C(=O)NCCO[N+](=O)[O-] ZINC000029321211 FC Annotated Anodyne CC(=O)N[C@@H](CSC(=O)OC(C)(C)C)C(=O)NCCO[N+](=O)[O-] ZINC000029321216 FC Annotated Anodyne CC(=O)N[C@@H](CSC(=O)OCC(C)C)C(=O)NCCO[N+](=O)[O-] ZINC000029322266 FC Annotated Anodyne C[C@@H]1C(=O)OCC(=O)N(C)[C@@H](Cc2ccccc2)[C@@H](O)CC(=O)O[C@@H]1C ZINC000029327273 FC Annotated Anodyne COC1=CC(=O)c2c(c(CO[P@@](N)(=O)N3CCOCC3)cn2C)C1=O ZINC000029328849 FC Annotated Mild COC1=CC(=O)c2c(cc(CO[P@@](N)(=O)N3CCOCC3)n2C)C1=O ZINC000029329684 FC Annotated Mild COC1=CC(=O)c2c(cc(CO[P@](N)(=O)N3CCOCC3)n2C)C1=O ZINC000029329689 FC Annotated Mild Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)NCCC(=O)NCc1ccccc1 ZINC000029337592 FC Annotated Anodyne Cc1ccc(CNC(=O)CCNC(=O)/C=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000029339838 FC Annotated Anodyne COc1ccc(C[C@@H](CO)NC(=O)/C=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000029341018 FC Annotated Anodyne COc1ccc(C[C@H](CO)NC(=O)/C=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 ZINC000029341021 FC Annotated Anodyne CN(C)CCCNC(=O)C1=CC2=C(C(=O)c3ccccc3C2=O)[C@@H](O)O1 ZINC000029345322 FC Annotated Mild CN(C)CCCNC(=O)C1=CC2=C(C(=O)c3ccccc3C2=O)[C@H](O)O1 ZINC000029345326 FC Annotated Mild COc1cc(CN(CCO)CCO)cc2c1C(=O)c1c(O)cccc1C2=O ZINC000029345889 FC Annotated Clean CCN(CCO)C(=S)SC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C ZINC000029389993 FC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N3CC[C@@H](O)C3)[C@H](C)[C@H]12 ZINC000029390413 FC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N3CC[C@H](O)C3)[C@H](C)[C@H]12 ZINC000029390416 FC Annotated Anodyne CN(C)S(=O)(=O)Oc1cccc2c1C(=O)C=C(NCCCl)C2=O ZINC000029396053 FC Annotated Reactive COc1cc2cc(CP(=O)(O)O)c(C[C@@H](N)C(=O)O)nc2cc1OC ZINC000029397283 FC Annotated Anodyne CN1CCN(c2nc3c(c(N)c2N)c(=O)c(C(=O)O)cn3C2CC2)CC1 ZINC000029409017 FC Annotated Anodyne NCCNc1ccc(NCCNCCO)c2c1C(=O)c1ccccc1C2=O ZINC000029411606 FC Annotated Clean Cc1[nH]cnc1CCNCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000029412965 FC Annotated Anodyne CC1(C)N=C(N)NC(Nc2ccc(NC3=NC(C)(C)NC(=N)N3)cc2)=N1 ZINC000029466702 FC Annotated Anodyne O=C(CCC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1 ZINC000029468423 FC Annotated Bother CCCNS(=O)(=O)/N=C(\N)CCCCc1csc(N=C(N)N)n1 ZINC000029474875 FC Annotated Mild CN1Cc2cc(C(=O)NCc3c[nH]cn3)ccc2N[C@@H](CC(=O)O)C1=O ZINC000029483793 FC Annotated Anodyne CN1Cc2cc(C(=O)NCc3c[nH]c(N)n3)ccc2N[C@@H](CC(=O)O)C1=O ZINC000029484114 FC Annotated Anodyne O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@H]2[C@H]1N=CN2COCCO ZINC000029488576 FC Annotated Anodyne O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@H]2[C@@H]1N=CN2COCCO ZINC000029488579 FC Annotated Anodyne O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@@H]2[C@H]1N=CN2COCCO ZINC000029488582 FC Annotated Anodyne O=C1NC(Nc2cc(Cl)cc(Cl)c2)=N[C@@H]2[C@@H]1N=CN2COCCO ZINC000029488585 FC Annotated Anodyne [N-]=[N+]=N[C@H]1C[C@H]2O[C@@H]1CO[C@@H]1NC(=O)C(I)=CN21 ZINC000029548699 FC Annotated Clean [N-]=[N+]=N[C@H]1C[C@H]2O[C@@H]1CO[C@H]1NC(=O)C(I)=CN12 ZINC000029548703 FC Annotated Clean CC1=C(N2C[C@H]2C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1[C@H]3N1C ZINC000029551550 FC Annotated Mild CC1=C(N2C[C@@H]2C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@@H]1[C@H]3N1C ZINC000029551554 FC Annotated Mild C#C[C@H](CC(=O)O)NC(=O)C[C@H]1CCCN(CCc2ccnc(N)c2)C1=O ZINC000029559801 FC Annotated Mild C#C[C@H](CC(=O)O)NC(=O)CN1CCC[C@@H](CCc2ccnc(N)c2)C1=O ZINC000029559805 FC Annotated Mild CC(=O)NCCCN(CCCCN(CCCNC(C)=O)C(C)=O)C(C)=O ZINC000029566839 FC Annotated Anodyne C#C[C@H](CC(=O)O)NC(=O)C[C@H]1CCCN(CCC2CCNCC2)C1=O ZINC000029568588 FC Annotated Mild CCC(=O)OCC(COC(=O)CC)COn1cnc2cnc(N)nc21 ZINC000029570243 FC Annotated Anodyne C[C@@H](O)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H]1COCC1=O ZINC000029571029 FC Annotated Anodyne C[C@H](O)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H]1COCC1=O ZINC000029571032 FC Annotated Anodyne C[C@@H](O)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1COCC1=O ZINC000029571035 FC Annotated Anodyne C[C@H](O)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1COCC1=O ZINC000029571037 FC Annotated Anodyne C[C@H](O)[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)OCCCS ZINC000299805852 FC Annotated Mild C[C@H](O)[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)OCCCS ZINC000299805853 FC Annotated Mild CC1=C(N2C[C@@H]2C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H]1[C@H]3N1C ZINC000299808152 FC Annotated Mild CC1=C(N2C[C@@H]2C)C(=O)c2c(COC(N)=O)c3n(c2C1=O)C[C@H]1[C@@H]3N1C ZINC000299808153 FC Annotated Mild COC[C@@H]1CCCN1[C@H]1CS(=O)(=O)N[C@H]1COCc1ccccc1 ZINC000299813933 FC Annotated Anodyne CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c1C ZINC000299814152 FC Annotated Mild CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1C ZINC000299814153 FC Annotated Mild CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1C ZINC000299814155 FC Annotated Mild CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c1C ZINC000299814157 FC Annotated Mild COC(=O)C1=C(C)N[C@]2(O)C=CC(=O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@]132 ZINC000299814473 FC Annotated Mild COC(=O)C1=C(C)N[C@]2(O)C=CC(=O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@]132 ZINC000299814474 FC Annotated Mild O=C(O)/C=C(/C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@H]1[C@H]5[C@H]4C[C@H]32 ZINC000299814513 FC Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3([C@@H]4OC(C)(C)O[C@@H]4CO)OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000299814733 FC Annotated Anodyne [N-]=[N+]=N[C@@H]1C[C@@H](n2cc(COCC(F)(F)F)c(O)nc2=O)O[C@@H]1CO ZINC000299815467 FC Annotated Clean COC(=O)[C@]12[C@H]3[C@@H]4[C@@H]5[C@]3(C#N)[C@@H]1[C@@]5(C(=O)OC)[C@@]42C(=O)N(C(C)C)C(C)C ZINC000299815538 FC Annotated Mild COC(=O)[C@]12[C@@H]3[C@]4(C#N)[C@H]1[C@@H]1[C@H]4[C@]3(C(=O)OC)[C@@]12C(=O)N(C(C)C)C(C)C ZINC000299815691 FC Annotated Mild COC(=O)[C@@]12[C@H]3[C@@H]4[C@@H]5[C@]3(C#N)[C@@H]1[C@@]5(C(=O)OC)[C@@]42C(=O)N(C(C)C)C(C)C ZINC000299815692 FC Annotated Mild CN1C(=O)[C@]2(c3ccccc31)[C@H]1[C@@H]3[C@H]4CO[C@@H]2C[C@@H]4[C@]1(CO)CN3C#N ZINC000299816043 FC Annotated Anodyne CN1C(=O)[C@@]2(c3ccccc31)[C@H]1[C@@H]3[C@H]4CO[C@@H]2C[C@@H]4[C@]1(CO)CN3C#N ZINC000299816044 FC Annotated Anodyne CN1C(=O)[C@@]2(c3ccccc31)[C@H]1[C@@H]3[C@@H]4CO[C@@H]2C[C@@H]4[C@]1(CO)CN3C#N ZINC000299816045 FC Annotated Anodyne CN1C(=O)[C@]2(c3ccccc31)[C@H]1[C@@H]3[C@@H]4CO[C@@H]2C[C@@H]4[C@]1(CO)CN3C#N ZINC000299816046 FC Annotated Anodyne COc1cc(O)c2c(c1)[C@H](O)[C@@H]1[C@H](C[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1O)C2=O ZINC000299821276 FC Annotated Anodyne Nn1c(Cc2cccs2)nn(CC(=O)N/N=C/c2cccs2)c1=O ZINC000299824805 FC Annotated Reactive Nn1c(Cc2cccs2)nn(CC(=O)N/N=C/c2ccccc2)c1=O ZINC000299829998 FC Annotated Reactive C[C@@]12CC[C@H]3O[C@]3(C)[C@H](O)C[C@@H]3[C@H](OC(=O)[C@H]3CN3CCOCC3)[C@H]1O2 ZINC000299830489 FC Annotated Anodyne O=Cc1ccc(C(c2c(O)nc(O)nc2O)c2c(O)nc(O)nc2O)cc1 ZINC000299831644 FC Annotated Anodyne Cc1ccc(C(c2c(O)nc(O)nc2O)c2c(O)nc(O)nc2O)cc1 ZINC000299832112 FC Annotated Anodyne COc1cccc(C(=O)N[C@@H]2CON(CCc3c[nH]cn3)C2=O)c1OC ZINC000299832352 FC Annotated Anodyne O=C1C=C(NCCBr)C(=O)C=C1NCCBr ZINC000299832808 FC Annotated Reactive COc1ccc(C(c2c(O)nc(O)nc2O)c2c(O)nc(O)nc2O)cc1 ZINC000299835504 FC Annotated Anodyne CNS(=O)(=O)c1cc(S(=O)(=O)NC)c2ccc(C)nc2c1OC ZINC000299839440 FC Annotated Anodyne CCN1CC[C@]2(C(=O)N3CCOCC3)CCN(S(=O)(=O)CC)CC[C@@H]12 ZINC000299842127 FC Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)CC[C@]1(C(=O)N(C)C)CN(C)C[C@@H]21 ZINC000299842189 FC Annotated Anodyne CCS(=O)(=O)N1CC[C@@H]2C(=O)N(Cc3cccnc3)CCO[C@@H]2C1 ZINC000299842216 FC Annotated Anodyne Cc1cncc(C(=O)N2CC[C@]3(C[C@H](NS(C)(=O)=O)CCO3)C2)c1 ZINC000299842572 FC Annotated Anodyne CNC(=O)[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(C)c(F)c3)C[C@@H]2N1C ZINC000299842646 FC Annotated Anodyne COc1cc(N2C[C@H]3COC[C@@]3(C(=O)NC3CC(F)(F)C3)C2)ncn1 ZINC000299842682 FC Annotated Anodyne CN(C)CCNC(=O)[C@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@H]1O2 ZINC000299842690 FC Annotated Anodyne CO[C@H]1CCN(S(=O)(=O)N(C)C)[C@H]2CN(Cc3ccncc3)C[C@@H]12 ZINC000299842726 FC Annotated Anodyne CCN1C(=O)[C@H]2CN(CC(C)C)C[C@@H]2C12CCN(S(C)(=O)=O)CC2 ZINC000299842752 FC Annotated Anodyne CC(C)CN1CCS(=O)(=O)[C@H]2CCN(S(=O)(=O)C3CC3)CC[C@H]21 ZINC000299843237 FC Annotated Anodyne COCCN1C[C@@H]2[C@@H](C1)[C@H](OC)CCN2S(=O)(=O)c1cccnc1 ZINC000299843256 FC Annotated Anodyne CNC(=O)[C@H](c1ccccc1OC)N1CCC[C@@H]1C(=O)N1CC[C@@H](O)C1 ZINC000299843452 FC Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H]2COC[C@@]2(CN2CCOCC2)C1 ZINC000299843546 FC Annotated Anodyne CCS(=O)(=O)NC[C@@]12COC[C@@H]1CN(Cc1cccnc1OC)C2 ZINC000299843639 FC Annotated Anodyne CNC(=O)[C@H]1CN(C(=O)CCOC)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000299843726 FC Annotated Anodyne O=C(C[C@H]1COC[C@H]2CN(C(=O)c3cccnc3)C[C@@H]12)N1CCOCC1 ZINC000299843751 FC Annotated Anodyne CO[C@H]1CCN(S(=O)(=O)N(C)C)[C@H]2CN(Cc3cccnc3)C[C@@H]12 ZINC000299843865 FC Annotated Anodyne CNC(=O)[C@H]1C[C@H]2CN(Cc3csc(C)n3)C[C@@H]2N1S(C)(=O)=O ZINC000299843889 FC Annotated Anodyne O=S(=O)(c1cccnc1)N1C[C@H]2COC[C@@]2(CN2CCOCC2)C1 ZINC000299843930 FC Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000299844978 FC Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000299844979 FC Annotated Anodyne N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@H]1NC(=O)c1ccccc1 ZINC000299846024 FC Annotated Reactive C=C1C(=O)[C@@]23[C@@H](CC[C@H]1[C@H]2O)[C@@]12CO[C@]3(O)[C@@H](O)[C@H]1C(C)(C)CC[C@@H]2O ZINC000299846473 FC Annotated Mild C=C1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@]12CO[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@H]2O ZINC000299846474 FC Annotated Mild C=C1C(=O)[C@@]23[C@H](O)[C@H]1CC[C@@H]2[C@]12CO[C@@]3(O)[C@H](O)[C@@H]1C(C)(C)CC[C@H]2O ZINC000299846475 FC Annotated Mild CN(CCOS(C)(=O)=O)[P@@]1(=O)OCC[C@H](OO)N1CCCl ZINC000299846560 FC Annotated Reactive CN(CCOS(C)(=O)=O)[P@]1(=O)OCC[C@H](OO)N1CCCl ZINC000299846561 FC Annotated Reactive CN(CCCl)[P@@]1(=O)OCC[C@H](OO)N1CCOS(C)(=O)=O ZINC000299846600 FC Annotated Reactive CN(CCCl)[P@]1(=O)OCC[C@H](OO)N1CCOS(C)(=O)=O ZINC000299846602 FC Annotated Reactive CS(=O)(=O)OCCN1[C@H](OO)CCO[P@]1(=O)NCCCl ZINC000299846894 FC Annotated Reactive CS(=O)(=O)OCCN1[C@@H](OO)CCO[P@]1(=O)NCCCl ZINC000299846895 FC Annotated Reactive C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O[C@H](C)CCC)[C@@H](O)[C@@H](C)[C@H](O)[C@H]1O[C@]1(C)[C@H]2O ZINC000299847612 FC Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O[C@@H](C)CCC)[C@@H](O)[C@@H](C)[C@H](O)[C@H]1O[C@]1(C)[C@H]2O ZINC000299847613 FC Annotated Mild N=C1C2=C3CCCN3[C@@](O)(N3CCOCC3)[C@H]2NC(=O)N1c1ccccc1 ZINC000299848614 FC Annotated Anodyne N=C1C2=C3CCCN3[C@](O)(N3CCOCC3)[C@H]2NC(=O)N1c1ccccc1 ZINC000299848616 FC Annotated Anodyne CNCC(=O)Nc1cccc(-c2cnc(NCCS(C)(=O)=O)nc2)c1 ZINC000299849463 FC Annotated Anodyne O=C(c1ccccn1)N1CC[C@]2(CNS(=O)(=O)c3cnccc3O2)C1 ZINC000299849891 FC Annotated Anodyne O=C(c1ccccn1)N1CC[C@@]2(CNS(=O)(=O)c3cnccc3O2)C1 ZINC000299849892 FC Annotated Anodyne O=C(c1ccncc1)N1CC[C@@]2(COc3ncccc3S(=O)(=O)N2)C1 ZINC000299849912 FC Annotated Anodyne O=C(c1ccncc1)N1CC[C@]2(COc3ncccc3S(=O)(=O)N2)C1 ZINC000299849913 FC Annotated Anodyne CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2ccco2)nn1C ZINC000299849914 FC Annotated Anodyne O=C(c1ccccn1)N1CC[C@@]2(COc3ncccc3S(=O)(=O)N2)C1 ZINC000299850270 FC Annotated Anodyne O=C(c1ccccn1)N1CC[C@]2(COc3ncccc3S(=O)(=O)N2)C1 ZINC000299850271 FC Annotated Anodyne O=C(c1cscn1)N1CC[C@@]2(COc3ncccc3S(=O)(=O)N2)C1 ZINC000299850298 FC Annotated Anodyne O=C(c1cscn1)N1CC[C@]2(COc3ncccc3S(=O)(=O)N2)C1 ZINC000299850299 FC Annotated Anodyne CCn1ncc(S(=O)(=O)N[C@@H]2CC[C@@H](n3ccnc3C)[C@@H]2O)c1C ZINC000299850335 FC Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](O)C(=O)N(C)C12CCN(C(=O)c1ccco1)CC2 ZINC000299850609 FC Annotated Anodyne Cc1ncoc1C(=O)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 ZINC000299850719 FC Annotated Anodyne Cc1ocnc1C(=O)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1 ZINC000299850720 FC Annotated Anodyne O=C(NC[C@]1(O)COCCN(Cc2ccc(O)cc2)C1)c1cnccn1 ZINC000299850727 FC Annotated Anodyne O=C(NC[C@@]1(O)COCCN(Cc2ccc(O)cc2)C1)c1cnccn1 ZINC000299850728 FC Annotated Anodyne O=C(c1ccc(=O)[nH]n1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000299851047 FC Annotated Anodyne O=C(c1ccc(=O)[nH]n1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000299851048 FC Annotated Anodyne CC1(C)S[C@H]([C@H](NC(=O)[C@@H](O)c2ccccc2)C(=O)O)N[C@H]1C(=O)O ZINC000299851235 FC Annotated Anodyne CC1(C)S[C@H]([C@H](NC(=O)[C@H](O)c2ccccc2)C(=O)O)N[C@H]1C(=O)O ZINC000299851236 FC Annotated Anodyne CCNC(=O)N1CC[C@H](OC)c2ccccc2N(CC(=O)NC)C(=O)C1 ZINC000299851402 FC Annotated Anodyne CCNC(=O)N1CC[C@@H](OC)c2ccccc2N(CC(=O)NC)C(=O)C1 ZINC000299851405 FC Annotated Anodyne CCOC(=O)[C@H]1[C@@H](O)C(=O)N(C)C12CCN(C(=O)CC1CCCC1)CC2 ZINC000299851970 FC Annotated Anodyne CCOC(=O)[C@H]1[C@@H](O)C(=O)N(C)C12CCN(C(=O)C(CC)CC)CC2 ZINC000299852250 FC Annotated Anodyne CNC(=O)[C@@H]1[C@@H](OC(=O)Nc2ccccc2)C(=O)N(C)C12CCNCC2 ZINC000299852755 FC Annotated Anodyne CCOC(=O)[C@H]1[C@@H](O)C(=O)N(C)C12CCN(C(=O)CC(C)(C)C)CC2 ZINC000299852768 FC Annotated Anodyne CNC(=O)CN1C(=O)CN(C(=O)COC)CC[C@H](OC)c2ccccc21 ZINC000299852834 FC Annotated Anodyne CNC(=O)CN1C(=O)CN(C(=O)COC)CC[C@@H](OC)c2ccccc21 ZINC000299852835 FC Annotated Anodyne CO[C@@H]1CN(c2ccccc2)S(=O)(=O)[C@@]12CCN(C(=O)N(C)C)C2 ZINC000299857147 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12C=N[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000299857948 FC Annotated Mild Cc1ccc(S(=O)(=O)NCCN2C(=O)N[C@@]3(CC3(C)C)C2=O)cc1 ZINC000299860704 FC Annotated Anodyne Cc1ccc(S(=O)(=O)NCCN2C(=O)N[C@]3(CC3(C)C)C2=O)cc1 ZINC000299860706 FC Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@](C)(O)[C@@H](O)C[C@H]2C(=O)O)cc1 ZINC000299861452 FC Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@](C)(O)[C@H](O)C[C@H]2C(=O)O)cc1 ZINC000299861453 FC Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@](C)(O)[C@H](O)C[C@@H]2C(=O)O)cc1 ZINC000299861455 FC Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@](C)(O)[C@@H](O)C[C@@H]2C(=O)O)cc1 ZINC000299861456 FC Annotated Anodyne CC1(C)C[C@@]12NC(=O)N(CCNS(=O)(=O)c1ccc(F)cc1)C2=O ZINC000299862699 FC Annotated Anodyne CC1(C)C[C@]12NC(=O)N(CCNS(=O)(=O)c1ccc(F)cc1)C2=O ZINC000299862700 FC Annotated Anodyne CCOC(=O)N1CC(=O)N(Cc2cccc(OC)c2OC)C[C@@H](O)C1 ZINC000299866357 FC Annotated Anodyne CCOC(=O)N1CC(=O)N(Cc2cccc(OC)c2OC)C[C@H](O)C1 ZINC000299866358 FC Annotated Anodyne CO[C@@H]1CN(c2ccccc2)S(=O)(=O)[C@@]12CCN(S(C)(=O)=O)C2 ZINC000299867542 FC Annotated Anodyne CCCCS(=O)(=O)NCCNC(=O)N[C@]1(C(=O)OCC)CC1(C)C ZINC000299869824 FC Annotated Anodyne CCCCS(=O)(=O)NCCNC(=O)N[C@@]1(C(=O)OCC)CC1(C)C ZINC000299869825 FC Annotated Anodyne Cc1noc(C)c1S(=O)(=O)Nc1c(N2CCC(C)CC2)c(=O)c1=O ZINC000299871969 FC Annotated Anodyne COCCCn1c(CN2CCN3CCC[C@H]3C2)cnc1S(C)(=O)=O ZINC000299872942 FC Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c2cnccn2)C1 ZINC000299875357 FC Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c2cnccn2)C1 ZINC000299875358 FC Annotated Anodyne O=C(O)/C=C(\C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@H]1[C@@H]5[C@H]4C[C@H]32 ZINC000299879668 FC Annotated Anodyne O=C(O)/C=C(\C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@H]1[C@H]5[C@H]4C[C@H]32 ZINC000299879669 FC Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c2cnccn2)C1 ZINC000299881178 FC Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c2cnccn2)C1 ZINC000299881179 FC Annotated Anodyne O=C(NCc1ccco1)C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000003048252 FC Annotated Anodyne COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cc(OC)c(OC)cc1OC ZINC000003315755 FC Annotated Anodyne COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1cc(OC)c(OC)cc1OC ZINC000003315756 FC Annotated Anodyne O=C(O)C1=C/C(=C/C=N/[C@@H](Cc2ccc(O)cc2)C(=O)O)C[C@@H](C(=O)O)N1 ZINC000030726503 FC Annotated Mild in-man endogenous CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@H]1[C@](O)(C[C@@H]32)[C@@]1(O)CC[C@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000030726607 FC Annotated Anodyne in-vitro O=C1CC[C@H](O)[C@@]23O[C@@]12C1(Oc2cccc4cccc(c24)O1)[C@@H]1O[C@@H]1[C@@H]3O ZINC000031165687 FC Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000031474849 FC Annotated Mild O=C1C[C@H](O)[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1C3=O ZINC000031518125 FC Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@H](O)[C@@]2(C[C@@]2(O)[C@@H](O)C(C)(C)[C@@H](O)C[C@H]12)C[C@@]3(C)O ZINC000031545207 FC Annotated Mild CC(=O)O[C@@]1(C)[C@@H](C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 ZINC000031666782 FC Annotated Anodyne CO[C@@]1(C)/C=N/CC(C)(C)NC(=O)[C@](C)(OC)/C=N/CC(C)(C)NC1=O ZINC000031851335 FC Annotated Anodyne CO[C@]1(C)/C=N/CC(C)(C)NC(=O)[C@](C)(OC)/C=N/CC(C)(C)NC1=O ZINC000031851338 FC Annotated Anodyne CCOC1(OCC)NC(=N)[C@]2(C#N)[C@@]1(C#N)[C@]21C(=O)N(C(C)C)N=C1C ZINC000031900565 FC Annotated Mild CCOC1(OCC)NC(=N)[C@]2(C#N)[C@@]3(C(=O)N(C(C)C)N=C3C)[C@]12C#N ZINC000031900569 FC Annotated Mild CC1(C)OC[C@H]2O[C@]3([C@@H]4OC(C)(C)O[C@H]4CO)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000031900806 FC Annotated Anodyne CC1(C)O[C@H]([C@]23O[C@H]4COC(C)(C)O[C@H]4[C@H]2OC(C)(C)O3)[C@@H](CO)O1 ZINC000031900810 FC Annotated Anodyne CC1(C)O[C@H]([C@]23O[C@@H]4COC(C)(C)O[C@H]4[C@H]2OC(C)(C)O3)[C@@H](CO)O1 ZINC000031900813 FC Annotated Anodyne O=C(O)/C=C(/C(=O)O)[C@]12CCN3CC4=CCO[C@@H]5CC(=O)N[C@@H]1[C@@H]5[C@@H]4C[C@@H]32 ZINC000031946870 FC Annotated Anodyne CC(C)NC(=O)CN1CCN(C2=CC(=O)c3c(O)ccc(O)c3C2=O)CC1 ZINC000031970033 FC Annotated Mild C[C@@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@@H]23 ZINC000032142999 FC Annotated Anodyne O=S1(=O)N=c2ccc3c4c(c5ccccc5c(c24)O1)OS(=O)(=O)N=3 ZINC000032256851 FC Annotated Bother CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000032296277 FC Annotated Anodyne in-vitro biogenic Cc1nc(C2CCN(C(=O)CCSc3nnnn3C)CC2)cc(=O)[nH]1 ZINC000032578153 FC Annotated Anodyne O=C(CCNc1n[nH]c(=O)[nH]c1=O)N/N=C\c1ccc(C(F)(F)F)cc1 ZINC000033282998 FC Annotated Reactive O=C(O)CN1C(=O)/C(=C2/SC(N3CCOCC3)=NC2=O)c2ccccc21 ZINC000033343330 FC Annotated Clean CC1(C)OB(c2cnc(NCCC3=c4ccccc4=NC3)nc2)OC1(C)C ZINC000334164182 FC Annotated Mild CC(=O)O[C@@H](C)Cn1cnc2c(N)nc(I)nc21 ZINC000033504531 FC Annotated Anodyne CC(=O)O[C@H](C)Cn1cnc2c(N)nc(I)nc21 ZINC000033504533 FC Annotated Anodyne C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O ZINC000033573458 FC Annotated Bother O=C(O)/C=C(\C(=O)O)[C@@]12CCN3CC4=CCO[C@H]5CC(=O)N[C@@H]1[C@@H]5[C@@H]4C[C@@H]32 ZINC000033913319 FC Annotated Anodyne CC1(C)[C@@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000033913425 FC Annotated Anodyne C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@H](O)[C@@H](OC1=O)[C@@H]23 ZINC000033913505 FC Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(OC5=O)[C@]3([C@H]2O)[C@@H]1O ZINC000033940855 FC Annotated Mild C=C1[C@@H]2CC[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(OC5=O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000033940856 FC Annotated Mild in-vitro biogenic O=C1N=c2ccccc2=C1c1[nH]c2ccccc2c1NOCC[C@H](O)CO ZINC000033943519 FC Annotated Anodyne in-vivo C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@@H]23 ZINC000033953237 FC Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](O[N+](=O)[O-])CO[C@H]12 ZINC000033998107 FC Annotated Anodyne CN1/C(=C(/O)NCCC[N+](C)(C)C)C(=O)c2ccccc2S1(=O)=O ZINC000034037805 FC Annotated Mild Cc1c(N2CC[C@@H]([C@@H](C)N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000034055263 FC Annotated Anodyne CN1CN(C)c2nc3n(Cc4ccc(F)cc4)c(O)cc(=O)n3c2C1=O ZINC000034168918 FC Annotated Anodyne CC(=O)Nc1ccn([C@H]2CO[C@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000034281832 FC Annotated Anodyne CC(=O)Nc1ccn([C@@H]2CO[C@@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000034281833 FC Annotated Anodyne CC(=O)Nc1ccn([C@H]2CO[C@@H](COC(=O)c3ccccc3)O2)c(=O)n1 ZINC000034281834 FC Annotated Anodyne C=C(CC/C=C(\C)C=O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000034370161 FC Annotated Reactive C=C(CC/C=C(\C)CO)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000034370165 FC Annotated Mild CC1=CC(=O)O[C@@H]1[C@@]1(C)C[C@H]2OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@@]32[C@@H]14 ZINC000034553623 FC Annotated Anodyne in-vitro biogenic COc1ccc(/C=C/C(=O)O[C@H]2[C@H](O)O[C@@H](C)[C@H](O)[C@H]2OC(C)=O)cc1 ZINC000034554360 FC Annotated Anodyne CC1=CC(=O)[C@@H]2[C@@H](C)CO[C@]3(C)[C@H]4O[C@@H](C[C@@](C)(O)[C@H](O)C[C@H]3O)[C@H]1[C@@H]42 ZINC000034769086 FC Annotated Mild COC(=O)[C@H](C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O ZINC000034799857 FC Annotated Anodyne COC(=O)[C@@H](C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O ZINC000034799858 FC Annotated Anodyne CC(C)CSc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)NCN2 ZINC000034799866 FC Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc(Sc3nccn3C)nc2)CC1 ZINC000034859747 FC Annotated Anodyne O=C(O)C1=C/C(=C/C=N/[C@H](Cc2ccc(O)cc2)C(=O)O)C[C@@H](C(=O)O)N1 ZINC000034944251 FC Annotated Mild in-man endogenous O=c1[nH]cc(F)c(=O)n1CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000034985722 FC Annotated Bother CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc(Cl)o2)[nH]c1=O ZINC000034986326 FC Annotated Anodyne COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)cc1 ZINC000034987423 FC Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C#N)c2)[nH]c1=O ZINC000034987848 FC Annotated Mild CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(O)c2)[nH]c1=O ZINC000034987850 FC Annotated Anodyne CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@]3([C@H]3OC(C)(C)O[C@@H]3CO)OC[C@H]2O1 ZINC000003588413 FC Annotated Anodyne NC(=O)c1ccc(-c2nnn(CC#CI)n2)cc1 ZINC000003596909 FC Annotated Mild O=C1NC(=S)S[C@H]1NS(=O)(=O)c1ccc(-c2ncccn2)cc1 ZINC000003611293 FC Annotated Clean O=C1NC(=S)S[C@@H]1NS(=O)(=O)c1ccc(-c2ncccn2)cc1 ZINC000003611296 FC Annotated Clean CCOC(=O)c1nnn(-c2nc(OCC)nc(N3CCOCC3)n2)c1C ZINC000003619006 FC Annotated Anodyne OCC(CO)OCn1cnc2c(O)n3cc(-c4ccc(O)cc4)nc3nc21 ZINC000003626336 FC Annotated Anodyne O=C(CNS(=O)(=O)c1cccc2nonc12)NCc1ccc(F)cc1 ZINC000003665227 FC Annotated Anodyne CC(=O)OCOC(=O)C1=C(c2cccnc2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000003778881 FC Annotated Anodyne C[S@@](=O)CCNC(=O)c1cc2cc(S(N)(=O)=O)sc2s1 ZINC000003779178 FC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCc3n(C)cc[n+]3C)[C@H](C)[C@H]12 ZINC000003782133 FC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(CN4CCOCC4)cc3)C[C@H]12 ZINC000003789117 FC Annotated Anodyne NCCNc1ccc2c(CNCCO)nn3c4cccc(O)c4c(=O)c1c23 ZINC000003800755 FC Annotated Bother CO[C@@H]1N([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Br ZINC000003807957 FC Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(F)c2)[nH]c1=O ZINC000003819467 FC Annotated Anodyne CO[C@H](CCNC(=O)N(CCCl)N=O)n1c(=O)[nH]cc(F)c1=O ZINC000003825206 FC Annotated Reactive COc1ccc(N(C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c(OC)c1 ZINC000003907403 FC Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N(C)CCO)[C@H](C)[C@H]12 ZINC000003928354 FC Annotated Anodyne O=C1[C@H]2O[C@H]2C2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@@]12[C@@H](O)CC[C@H]3O ZINC000003930443 FC Annotated Anodyne C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000003943078 FC Annotated Bother C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2[C@@H](C)O1 ZINC000003943080 FC Annotated Bother O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@H]2[C@H](O)CO[C@H]2O1 ZINC000003953199 FC Annotated Clean Nc1nc2c(ncn2[C@@H]2CC[C@@H](CO)O2)c(=O)n1C(=O)c1ccccc1 ZINC000003954665 FC Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)N4CCOCC4)C3)sc2n1 ZINC000003958985 FC Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)sc2n1 ZINC000003958986 FC Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCN(C(=O)CO)CC3)C(=O)O1 ZINC000003980068 FC Annotated Anodyne CC(=O)NC[C@H]1CC(c2ccc(C3=CCN(C(=O)CO)CC3)cc2)=NO1 ZINC000003985822 FC Annotated Anodyne CCCCC[C@@H](O)[C@H]1C(=O)N[C@](C(=O)O)([C@@H](O)[C@@H]2C=CCCC2)[C@@]1(C)O ZINC000003986285 FC Annotated Anodyne CCN(C(=O)N1C[C@@H](C(=O)O)[C@@H](N)[C@@H]1CNC(=O)C(F)(F)F)C(C)C ZINC000003994907 FC Annotated Anodyne in-vivo C=C1[C@@H]2[C@@H](O)[C@H](O)[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4C[C@@H](O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000035032230 FC Annotated Mild O[C@H]1C=CC2(Oc3cccc4cccc(c34)O2)[C@@H]2[C@H](O)[C@@H](O)C[C@H](O)[C@@H]12 ZINC000035086277 FC Annotated Anodyne CCCCC[C@H](O)[C@H]1C(=O)N[C@](C(=O)O)([C@@H](O)[C@@H]2C=CCCC2)[C@@]1(C)O ZINC000035259368 FC Annotated Anodyne C[C@@H]1CC(=O)[C@@H]2[C@@](O)(C1)C[C@H](O)[C@]13O[C@]21C(=O)c1cccc(O)c1[C@@H]3O ZINC000035270816 FC Annotated Anodyne C[C@H]1CC(=O)[C@@H]2[C@](O)(C[C@H](O)[C@]34O[C@]23C(=O)c2cccc(O)c2[C@@H]4O)C1 ZINC000035270817 FC Annotated Anodyne C[C@@H]1CC(=O)[C@H]2[C@@](O)(C1)C[C@H](O)[C@]13O[C@]21C(=O)c1cccc(O)c1[C@@H]3O ZINC000035270820 FC Annotated Anodyne C[C@H]1CC(=O)[C@H]2[C@](O)(C[C@H](O)[C@]34O[C@]23C(=O)c2cccc(O)c2[C@@H]4O)C1 ZINC000035270821 FC Annotated Anodyne CC1=C(C(=O)O[C@@H]2CCCN(C)C2)[C@@]2(O)C(=O)c3ccccc3[C@]2(O)N1 ZINC000035581511 FC Annotated Anodyne CC1=C(C(=O)O[C@@H]2CCCN(C)C2)[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1 ZINC000035581513 FC Annotated Anodyne O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1 ZINC000035825708 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CO)[C@@H](O)CC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000035858842 FC Annotated Mild COc1cc(C(=O)O[C@H](C)[C@H]2C(=O)N/C2=C\C(=O)O)cc(OC)c1O ZINC000035966093 FC Annotated Anodyne C/C=C1\C[C@@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000036022938 FC Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)CC1 ZINC000036163093 FC Annotated Anodyne N[C@H]1CN(C(=O)c2cnc3ccccc3n2)C(=O)[C@H]1C(=O)N1CCCC1 ZINC000036310997 FC Annotated Anodyne O=C(CCCNC(=O)NC1CCCCC1)N[C@@H](Cc1cnc[nH]1)C(=O)O ZINC000036330585 FC Annotated Anodyne CN1C(=O)[C@@H]2[C@H](N=C(N3CC[C@H](N)C3)N2Cc2ccccc2)N(C)C1=O ZINC000036350318 FC Annotated Anodyne CN1C(=O)[C@@H]2[C@@H](N=C(N3CC[C@H](N)C3)N2Cc2ccccc2)N(C)C1=O ZINC000036350319 FC Annotated Anodyne CN1C(=O)[C@@H]2[C@H](N=C(N3CCCNCC3)N2Cc2ccccc2)N(C)C1=O ZINC000036350334 FC Annotated Anodyne CN1C(=O)[C@@H]2[C@@H](N=C(N3CCCNCC3)N2Cc2ccccc2)N(C)C1=O ZINC000036350335 FC Annotated Anodyne CN1C(=O)[C@H]2[C@H](N=C(N3CCCNCC3)N2Cc2ccccc2)N(C)C1=O ZINC000036350336 FC Annotated Anodyne CN1C(=O)[C@H]2[C@@H](N=C(N3CCCNCC3)N2Cc2ccccc2)N(C)C1=O ZINC000036350337 FC Annotated Anodyne CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)NCCCCCN ZINC000036378345 FC Annotated Anodyne C[C@H](NC(=O)c1[nH]cnc1C(=O)NC1CCNCC1)C(=O)OC(C)(C)C ZINC000036378348 FC Annotated Anodyne C[C@H]1[C@H]2OC3=C(C(=O)O[C@]3(C)O)C(=O)[C@]1(C)[C@H]1CCCC[C@]1(O)[C@H]2O ZINC000036378822 FC Annotated Mild C[C@H]1[C@H]2OC3=C(C(=O)O[C@@]3(C)O)C(=O)[C@]1(C)[C@H]1CCCC[C@]1(O)[C@H]2O ZINC000036378823 FC Annotated Mild O=C(O)c1ccc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)cc1 ZINC000036380749 FC Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NC[C@@H]1COc2ccccc2O1 ZINC000036384107 FC Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)[C@@H](CO)NC(=O)[C@@]12C ZINC000036388992 FC Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@H]2N2C(=O)CNC(=O)[C@@]12C ZINC000036388994 FC Annotated Anodyne C[C@@H]1O[C@@H](Oc2ccc(C/N=C(\S)OC#N)cc2)[C@H](O)[C@H](O)[C@H]1O ZINC000036440666 FC Annotated Mild NC(=O)C1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377795117 FC Annotated Bother NC(=O)[C@@H]1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000377795135 FC Annotated Bother NC(=O)[C@H]1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000377795136 FC Annotated Bother CCOc1ccc2c(c1)n(O)c(NCCCN1CCOCC1)n[n+]2=O ZINC000377799883 FC Annotated Anodyne N[C@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C3c5c(c[nH]c5C(=O)C1=N4)CCN32 ZINC000377811314 FC Annotated Mild N[C@@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C3c5c(c[nH]c5C(=O)C1=N4)CCN32 ZINC000377811318 FC Annotated Mild O=[n+]1nc(CCCN2CCOCC2)n(O)c2cc3c(cc21)C[C@H](CO)C3 ZINC000377811533 FC Annotated Anodyne O=[n+]1nc(CCCN2CCOCC2)n(O)c2cc3c(cc21)C[C@@H](CO)C3 ZINC000377811534 FC Annotated Anodyne CC(=O)OCON[N+](=O)N(C)CCOC(=O)c1ccccc1OC(C)=O ZINC000377829711 FC Annotated Anodyne O=[n+]1nc(NCCCN2CCOCC2)n(O)c2cc3c(cc21)CCCC3 ZINC000377829941 FC Annotated Anodyne O=C1C2=N[C@@H]3C[C@]45C(=C[C@@H](O)[C@H]([C@@H]4O)N4CCc6c[nH]c1c6C4=C25)S3 ZINC000377830181 FC Annotated Clean O=C1C2=N[C@@H]3C[C@@]45C[C@@H]([C@H](O)C[C@]4(O)S3)N3CCc4c[nH]c1c4C3=C25 ZINC000377830444 FC Annotated Clean O=C1C2=N[C@@H]3C[C@]45C(=CC(=O)[C@@H]([C@@H]4O)N4CCc6c[nH]c1c6C4=C25)S3 ZINC000377838547 FC Annotated Mild O=C1C2=N[C@@H]3C[C@]45C(=C[C@@H](O)[C@@H]([C@@H]4O)N4CCc6c[nH]c1c6C4=C25)S3 ZINC000377841273 FC Annotated Clean O=C1NC(=S)N=C1C=c1ccc(=c2ccc3c(c2)CCNC=3O)s1 ZINC000377850880 FC Annotated Anodyne N=C(N)c1ccc(C2=NO[C@H](CC(=O)N3CCC(=O)[C@H](C(=O)O)C3)C2)cc1 ZINC000038159090 FC Annotated Anodyne N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N3CCC(=O)[C@H](C(=O)O)C3)C2)cc1 ZINC000038159091 FC Annotated Anodyne O=C1C=C(O)/C(=C/NN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)C=C1[N+](=O)[O-] ZINC000038169281 FC Annotated Mild COC1=CC=C/C(=C\NNC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)C1=O ZINC000038169441 FC Annotated Reactive COC(=O)[C@@H]1C[C@@H](O)[C@H](O)[C@@H](n2cc(CC#N)c3c(OC)cccc32)O1 ZINC000038192502 FC Annotated Mild CN(Cc1cccnc1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1 ZINC000038214860 FC Annotated Anodyne COc1cc(C(=O)O[C@H](C)[C@H]2C(=O)N/C2=C\C(=O)O)cc(OC)c1OC ZINC000038267348 FC Annotated Anodyne N[C@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C(N4)C(=O)c3[nH]cc4c3C1=[N+]2CC4 ZINC000038345028 FC Annotated Mild N[C@@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C(N4)C(=O)c3[nH]cc4c3C1=[N+]2CC4 ZINC000038345029 FC Annotated Mild CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000038422844 FC Annotated Anodyne C[C@@]1(O)CC(=O)[C@]2(O)C3=C(CC[C@]2(O)C1)C(=O)c1c(O)cccc1C3=O ZINC000038543439 FC Annotated Mild COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O)[C@@H]2OC(C)=O)cc1 ZINC000038621137 FC Annotated Anodyne COc1ccc(/C=C\C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O)[C@@H]2OC(C)=O)cc1 ZINC000038621140 FC Annotated Anodyne O=C1c2cccc3c2[C@]2(O[C@@]4(O3)c3c2ccc(O)c3[C@H](O)[C@H]2O[C@H]24)[C@@H]2O[C@H]12 ZINC000038698081 FC Annotated Anodyne C=C(C=O)[C@H]1C[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@]2(O)CO[C@H](O)[C@@H]12 ZINC000038792178 FC Annotated Reactive in-vitro biogenic C=C(C=O)[C@H]1C[C@H](OC(=O)/C=C\c2ccc(O)cc2)[C@@]2(O)CO[C@H](O)[C@@H]12 ZINC000038792180 FC Annotated Reactive in-vitro biogenic CO[C@@]12C[C@H](CNC(=O)c3cc(Br)c[nH]3)O[C@@H]1NC(=O)N2 ZINC000038824385 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000038824924 FC Annotated Mild in-vitro biogenic CC1=CC(=O)O[C@H]1[C@@]1(C)C[C@H]2OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@@]32[C@@H]14 ZINC000038895426 FC Annotated Anodyne in-vitro biogenic C[C@@H](O)/C=C/[C@H]1[C@H](C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C ZINC000038933632 FC Annotated Anodyne CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1[C@@H](O)c1nnc(C(C)(C)C)o1 ZINC000038965465 FC Annotated Anodyne C[C@@H]1CS[C@H]([C@H](NC(=O)[C@H](N)c2ccccc2)C(=O)O)N=C1C(=O)O ZINC000038987353 FC Annotated Anodyne in-vitro O=C1CC[C@H](O)C2=C[C@H](O)[C@H](O)C3(Oc4cccc5cccc(c45)O3)[C@]12O ZINC000038987597 FC Annotated Anodyne C[C@@H]1[C@@H](O)[C@]2(C)CC(=O)O[C@@H]3CCN4CC=C(COC(=O)[C@@]1(C)O2)[C@H]34 ZINC000039029126 FC Annotated Anodyne C[C@]1(O)C[C@]2(C)CC(=O)O[C@@H]3CCN4CC=C(COC(=O)[C@@]1(C)O2)[C@H]34 ZINC000039029127 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CO)[C@@H](O)CC[C@](C)(C=O)[C@H]1C[C@H]3O ZINC000039054088 FC Annotated Mild in-vitro biogenic CC1(C)C(=O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H]3[C@](O)(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000039054340 FC Annotated Anodyne NC(=O)[C@H]1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000039094620 FC Annotated Clean NC(=O)[C@@H]1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000039094622 FC Annotated Clean O=C1CC[C@H](O)[C@@H]2C[C@H](O)[C@H](O)C3(Oc4cccc5cccc(c45)O3)[C@]12O ZINC000039139784 FC Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@]31C ZINC000039204705 FC Annotated Mild C/C=C1/C[C@@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000039205668 FC Annotated Anodyne O=C(CN1CCN(c2cc(C3CCNCC3)ncn2)CC1)N1CCCC1 ZINC000039461498 FC Annotated Anodyne COC(=O)C1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1 ZINC000004033665 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[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 ZINC000004097919 FC Annotated Anodyne in-vitro biogenic C=C[C@@]12COC(=O)C(=C)[C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)CO)C2 ZINC000004098205 FC Annotated Mild in-vitro biogenic C=C1C/C(=C/C)C(=O)O[C@@H]2CCN3C[C@@H](O)[C@H](COC(=O)[C@]1(C)O)[C@H]23 ZINC000004098637 FC Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@@]1(O)CC[C@H]2C1=CC(=O)[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000004102253 FC Annotated Mild in-vitro CCc1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004138868 FC Annotated Anodyne O=C(CSc1nc(-c2ccncc2)n[nH]1)N[C@@H]1CCS(=O)(=O)C1 ZINC000004162798 FC Annotated Anodyne COc1cc2c(=O)n(-c3ccc(C)cc3)c(=O)n(CC(N)=O)c2cc1OC ZINC000004176384 FC Annotated Anodyne Cc1ccc(CN2CCN(CC(=O)N3CCC(C(N)=O)CC3)C2=O)cc1 ZINC000004177880 FC Annotated Anodyne O[C@@H](CNC[C@@H](O)[C@@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 ZINC000004214954 FC Annotated Anodyne in-man COc1cccc(Cn2c(=O)c(C)nc3cnc(N4CCNCC4)nc32)c1 ZINC000004238412 FC Annotated Anodyne COCCn1c(=O)c(-c2ccccc2)nc2cnc(N3CCNCC3)nc21 ZINC000004238435 FC Annotated Anodyne COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(C)c2=O)cc1 ZINC000004238440 FC Annotated Anodyne COc1ccc(-n2c(=O)c(C)nc3cnc(N4CCNCC4)nc32)cc1 ZINC000004238453 FC Annotated Anodyne Cn1c(=O)c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc21 ZINC000004238543 FC Annotated Anodyne COCCn1c(=O)c(-c2cccs2)nc2cnc(N3CCNCC3)nc21 ZINC000004238600 FC Annotated Anodyne COc1cccc(Cn2c(=O)cnc3cnc(N4CCN(C)CC4)nc32)c1 ZINC000004238727 FC Annotated Anodyne COc1ccc(-n2c(=O)cnc3cnc(N4CCN(C)CC4)nc32)cc1 ZINC000004238912 FC Annotated Anodyne O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCC(O)CC1 ZINC000004479664 FC Annotated Anodyne O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCC(O)CC1 ZINC000004479665 FC Annotated Anodyne COc1ccc(S(=O)(=O)NN2C(=O)C(=O)N=C2c2ccccn2)cc1 ZINC000040379534 FC Annotated Anodyne O=C1N[C@@H]2C(=C[C@H](O)[C@H]3O[P@@](=O)(O)O[C@@H]23)c2cc3c(cc21)OCO3 ZINC000040380455 FC Annotated Anodyne CCOC(=O)Cn1sc(=O)n(-c2cccc(C(=O)OCC)c2)c1=O ZINC000040392590 FC Annotated Anodyne CC1(C)[C@H]2CC(=O)[C@@]3(CO2)[C@@H]2CC[C@@H]4C[C@]2(C(=O)[C@@H]4CO)C(=O)[C@@H](O)[C@H]13 ZINC000040392623 FC Annotated Anodyne C=C1C[C@H](OC(=O)[C@](C)(O)CO)[C@H]2[C@@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000040393054 FC Annotated Mild C=C1C[C@H](OC(=O)[C@@](C)(O)CO)[C@H]2[C@@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000040393055 FC Annotated Mild C=C1C[C@H](O)[C@H]2[C@H](CNCCCC(=O)O)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000040395736 FC Annotated Mild O=C(O)Cc1cs/c(=N/C(=O)CS(=O)(=O)c2ccccc2)n1O ZINC000040412944 FC Annotated Anodyne O=C(O)CCc1cs/c(=N/C(=O)CS(=O)(=O)c2ccccc2)n1O ZINC000040413016 FC Annotated Anodyne OC[C@H]1O[C@]2(ON=C(c3ccc4ccccc4c3)S2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000040422383 FC Annotated Anodyne Cc1c(N2CC[C@H](C3(N)CC3)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000040423857 FC Annotated Anodyne Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000040423858 FC Annotated Anodyne O=C1CN(CCCO)C(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040424146 FC Annotated Mild O=C1CN(CCCO)C(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040424147 FC Annotated Mild CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@@]1(O)[C@H]3O ZINC000040424530 FC Annotated Anodyne Nn1c(CS(=O)(=O)C2=NNC[C@@H]2c2ccc(Cl)cc2)n[nH]c1=S ZINC000040425429 FC Annotated Anodyne CN(C)CCn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21 ZINC000040428930 FC Annotated Anodyne Cc1s/c(=N/C(=O)CS(=O)(=O)c2ccccc2)n(O)c1CC(=O)O ZINC000040429010 FC Annotated Anodyne O=C1N[C@H]2[C@@H]3O[P@](=O)(O)O[C@@H]3[C@@H](O)C[C@@H]2c2cc3c(cc21)OCO3 ZINC000040429815 FC Annotated Anodyne C[C@H]1S[C@@H](O[P@@](=O)(O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000040440130 FC Annotated Anodyne C[C@@H]1S[C@@H](O[P@@](=O)(O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000040440132 FC Annotated Anodyne COC(=O)C[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCOCC1 ZINC000040465217 FC Annotated Anodyne COC(=O)C[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCOCC1 ZINC000040465218 FC Annotated Anodyne N#CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccccc3)CN2C1 ZINC000040475254 FC Annotated Reactive CO[C@@H]1N([C@@H]2C[C@@H](F)[C@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Br ZINC000040479451 FC Annotated Anodyne CC1(C)C=C(C(=O)NCCNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)C(C)(C)N1 ZINC000040503639 FC Annotated Anodyne CC1(C)C=C(C(=O)NCCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)C(C)(C)N1 ZINC000040503642 FC Annotated Anodyne CC1(C)C=C(C(=O)NCCNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)C(C)(C)N1 ZINC000040503644 FC Annotated Anodyne CC1(C)C=C(C(=O)NCCNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)C(C)(C)N1 ZINC000040503646 FC Annotated Anodyne COc1cc(O)c(CN[C@@H]2C=C[C@H](O)[C@H](O)[C@@H]2O)c(Br)c1 ZINC000040540351 FC Annotated Anodyne CCOC(=O)/C=C1\NC(=O)[C@@H]1[C@@H](C)OC(=O)c1cc(O)c(O)c(O)c1 ZINC000040564181 FC Annotated Clean C[C@]1(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]1(O)C[C@](C)([C@H](O)CO)CC[C@H]12 ZINC000040585213 FC Annotated Anodyne C[C@]1(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]1(O)C[C@](C)([C@H](O)CO)CC[C@@H]21 ZINC000040585215 FC Annotated Anodyne C=C(C)[C@](C)(O)[C@](C)(O)/C=C\C[C@](C)(O)[C@H]1CC(=O)C(CO)=C[C@@H]1O ZINC000040614019 FC Annotated Mild C=C(C)[C@](C)(O)[C@@](C)(O)/C=C\C[C@](C)(O)[C@H]1CC(=O)C(CO)=C[C@@H]1O ZINC000040614023 FC Annotated Mild CN1CCN(CCN2CCN(CCN3CCCCC3)C2=C(C#N)C#N)CC1 ZINC000040614174 FC Annotated Reactive N#CC(C#N)=C1N(CCN2CCCCC2)CCN1CCN1CCOCC1 ZINC000040616209 FC Annotated Reactive N#CC(C#N)=C1N(CCN2CCCCC2)CCN1CCN1CC[C@H](O)C1 ZINC000040616210 FC Annotated Reactive CC1(C)C=C(C(=O)NC[C@H](O)CN2C(=O)c3ccccc3C2=O)C(C)(C)N1 ZINC000040640148 FC Annotated Anodyne CC1(C)C=C(C(=O)NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)C(C)(C)N1 ZINC000040640151 FC Annotated Anodyne CCCCNOS(=O)(=O)N1C[C@H](NC(=O)Cc2ccccc2)C1=O ZINC000040676667 FC Annotated Mild C/C=C/C(=O)OCC1=C[C@H](O)[C@@H]2O[C@](C)(OC)[C@](C)(OC)O[C@@H]2C1=O ZINC000040781838 FC Annotated Mild N[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C(=O)[C@@H]1C(=O)N1CCCC1 ZINC000040781912 FC Annotated Anodyne C[C@@H]1CC(=O)[C@]2(O)[C@](O)(CC[C@]34O[C@]23C(=O)c2cccc(O)c2[C@@H]4O)C1 ZINC000040789720 FC Annotated Anodyne CC1(C)C=C(C(=O)NC[C@H](O)CNC(=O)Cc2cccs2)C(C)(C)N1 ZINC000040828671 FC Annotated Anodyne CC1(C)C=C(C(=O)NC[C@@H](O)CNC(=O)Cc2cccs2)C(C)(C)N1 ZINC000040828673 FC Annotated Anodyne Cc1ccc([C@H]2CNN=C2S(=O)(=O)Cc2n[nH]c(=S)n2N)cc1 ZINC000040834304 FC Annotated Anodyne COc1ccc(C(=O)N[C@@H]2[C@@H]([C@H](O)CO)O[C@@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000040836513 FC Annotated Anodyne COC(=O)c1cc(NC(=O)CBr)cc(C(=O)NC(N)=O)c1 ZINC000040848842 FC Annotated Reactive CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)CCc2nnc(C)n2-3)CC1 ZINC000040860673 FC Annotated Anodyne Cc1nc2c(c3c1C(=O)c1c(O)cccc1C3=O)c(=O)n(C)c(=O)n2C ZINC000040862295 FC Annotated Clean C=C1C[C@H](OC(=O)[C@](C)(O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@H](O)C[C@@H]12 ZINC000040866501 FC Annotated Mild C=C1C[C@H](OC(=O)[C@@](C)(O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@H](O)C[C@@H]12 ZINC000040866503 FC Annotated Mild COC(=O)/C=C(\C)[C@@H](O)[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000040873080 FC Annotated Anodyne CCOC(=O)/C=C(\C)[C@@H](O)[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000040873629 FC Annotated Anodyne CCO[C@@H](C1=C[C@H]2C(C)=NN(c3ccccc3)[C@@H]2N=C1)[C@H](O)[C@@H](O)CO ZINC000040876664 FC Annotated Anodyne CCO[C@@H](C1=C[C@@H]2C(C)=NN(c3ccccc3)[C@@H]2N=C1)[C@H](O)[C@@H](O)CO ZINC000040876668 FC Annotated Anodyne CCO[C@@H](C1=C[C@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1)[C@H](O)[C@@H](O)CO ZINC000040876671 FC Annotated Anodyne CCO[C@@H](C1=C[C@@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1)[C@H](O)[C@@H](O)CO ZINC000040876674 FC Annotated Anodyne C/C=C\[C@H](C)[C@@H]1O[C@]1(C)[C@@H](O)[C@@H](CO)C(=O)[C@@H](CO)[C@@H](O)CC(=O)CC ZINC000040891867 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(CO)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000040897180 FC Annotated Mild in-vitro biogenic COc1cc(C(=O)N[C@H]2C[C@@H](C(=O)O)N(C(C)=O)C2)cc(OC)c1OC ZINC000040898037 FC Annotated Anodyne CO[C@@]1(C(=O)c2ccccc2)NC(=O)[C@]2(OC(/C=C/C=O)=C(C)C2=O)[C@H]1O ZINC000040898105 FC Annotated Reactive CO[C@@]1(C(=O)c2ccccc2)NC(=O)[C@]2(OC(/C=C/C#N)=C(C)C2=O)[C@H]1O ZINC000040914838 FC Annotated Reactive O=C(O)Cc1cs/c(=N/C(=O)CS(=O)(=O)Cc2ccccc2)n1O ZINC000040933227 FC Annotated Anodyne Cc1c(N2CC[C@H]([C@H](C)N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000040933611 FC Annotated Anodyne Cc1ccc(S(=O)(=O)CC(=O)/N=c2/scc(CC(=O)O)n2O)cc1 ZINC000040933826 FC Annotated Anodyne CN1CCN(c2ccc3nnc4c([N+](=O)[O-])cnn4c3c2[N+](=O)[O-])CC1 ZINC000040936928 FC Annotated Bother Cc1c(N2CC[C@H]([C@@H](C)N)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000040937115 FC Annotated Anodyne CC(C)(C)Cn1c(Cn2ccnc2P(=O)(O)O)nc2c(N)ncnc21 ZINC000040939710 FC Annotated Anodyne C[N+]1=CN[C@H](C(=O)O)C[C@@]1(C)COC(=O)c1cc(Br)c[nH]1 ZINC000040939958 FC Annotated Anodyne C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000040943104 FC Annotated Mild NC(=O)c1nc(C#Cc2ccc(C(F)(F)F)cc2)n(COCCO)n1 ZINC000040950290 FC Annotated Mild O=C1CN(CCS)C(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040954456 FC Annotated Mild O=C1CN(CCS)C(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040954458 FC Annotated Mild NCCCN1CC(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000040954543 FC Annotated Mild NCCCN1CC(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000040954545 FC Annotated Mild CCOc1c(C(=O)OC)cc(NC(=N)N)c(NC(C)=O)c1NC(=N)N ZINC000040955093 FC Annotated Anodyne COCCNc1nc(OCCCCNC(=N)N)cc(OCCN(C)C)n1 ZINC000040955144 FC Annotated Anodyne C=CS(=O)(=O)[C@H]1C[C@]2(C(=O)OC)CCC(=O)N2[C@H]1c1cccnc1 ZINC000040956401 FC Annotated Anodyne COC(=O)[C@@H]1C[C@@H](OC(=O)/C=C/c2ccccc2)CN1S(C)(=O)=O ZINC000040956544 FC Annotated Anodyne CC(=O)C[C@]1(O)C(=O)c2c(O)cc(CO)cc2O[C@@]1(C)[C@@H]1CCC(=O)O1 ZINC000040973811 FC Annotated Anodyne CCC(=O)[C@]12N[C@H]3C[C@@]4(C(=O)N(OC)c5ccccc54)[C@H](OC[C@H]31)[C@@H]2O ZINC000040975655 FC Annotated Anodyne Cc1c(N2CC[C@H](CCN)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000040975806 FC Annotated Anodyne Cc1c(N2CC[C@@H](CCN)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000040975808 FC Annotated Anodyne CO[C@@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C(N4)C(=O)c3[nH]cc4c3C1=[N+]2CC4 ZINC000040980124 FC Annotated Mild CO[C@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C(N4)C(=O)c3[nH]cc4c3C1=[N+]2CC4 ZINC000040980125 FC Annotated Mild C[C@H](C(=O)O)c1cs/c(=N/C(=O)CS(=O)(=O)c2ccccc2)n1O ZINC000040980278 FC Annotated Anodyne C[C@@H](C(=O)O)c1cs/c(=N/C(=O)CS(=O)(=O)c2ccccc2)n1O ZINC000040980279 FC Annotated Anodyne O/N=C\c1cc[n+](COCC#CCOC[n+]2ccc(/C=N/O)cc2)cc1 ZINC000042890283 FC Annotated Mild N[C@@H](CNC(=O)c1[nH]c2cccc(Br)c2c1[N+](=O)[O-])C(=O)O ZINC000042920299 FC Annotated Bother N[C@H](CNC(=O)c1[nH]c2cccc(Br)c2c1[N+](=O)[O-])C(=O)O ZINC000042920300 FC Annotated Bother CCCOc1c(/C=N/N=C(N)N)ccc(/C=N/N=C(N)N)c1OCCC ZINC000042923490 FC Annotated Mild Cc1oc2cc(OS(=O)(=O)O)c(OS(=O)(=O)O)cc2c1C(=O)O ZINC000043060215 FC Annotated Anodyne COC(=O)CC(CC(=O)OC)(NC(=O)Cc1ccccc1)C(=O)OC ZINC000043071693 FC Annotated Anodyne Cc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccoc1)C(=O)O ZINC000043075191 FC Annotated Anodyne N#CCCCn1cc(-c2ccc(O)c(N3CC(=O)NS3(=O)=O)c2)cn1 ZINC000043153677 FC Annotated Mild C[C@H](Cn1ncnn1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000043203530 FC Annotated Bother N#Cc1cn(-c2c[nH]n(-c3cc(N4CCC(F)(F)C4)ncn3)c2=O)nn1 ZINC000043208116 FC Annotated Mild C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@H]12 ZINC000004593985 FC Annotated Bother CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cnccn2)C1 ZINC000004612091 FC Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cnccn2)C1 ZINC000004612092 FC Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cnccn2)C1 ZINC000004612093 FC Annotated Anodyne C[C@H]1O[C@@]12C[C@@H](C)[C@@](C)(O)C(=O)OCC1=CCN3CC[C@@H](OC2=O)[C@@H]13 ZINC000004916148 FC Annotated Anodyne C/C=C1/C[C@@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000004964105 FC Annotated Anodyne O=C(O)[C@H]1[C@@H]2C[C@H]([C@H]1C(=O)O)[C@@H](Br)[C@H]2N1C(=O)CCC1=O ZINC000004974655 FC Annotated Reactive O=C(O)[C@@H]1[C@@H]2C[C@H]([C@@H]1C(=O)O)[C@H](N1C(=O)CCC1=O)[C@@H]2Br ZINC000004974656 FC Annotated Reactive CC1(C)NC(=N)NC(=N)N1OCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000045187193 FC Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1nnn(-c3ccc(F)cc3)n1)C2 ZINC000045255904 FC Annotated Bother CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(C)=O)CO[C@H]12 ZINC000045255938 FC Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@@H](O[N+](=O)[O-])CO[C@@H]21 ZINC000045260708 FC Annotated Anodyne CC1(C)NC(=N)NC(=N)N1OCc1nc(N)nc(Nc2ccccc2)n1 ZINC000045324271 FC Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 ZINC000045338173 FC Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 ZINC000045338549 FC Annotated Anodyne Nc1nc(NCCN2CCOCC2)nc2c1[N+]([O-])=C(c1ccccc1)C2=O ZINC000045340369 FC Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C)CC(=O)N1[C@H]2CO ZINC000045349056 FC Annotated Anodyne CN(C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1)C1CCCCC1 ZINC000045355256 FC Annotated Anodyne COc1ccc2c(c1)NC(=O)Cc1cc3c(=O)n(C)c(=O)n(C)c3nc1-2 ZINC000045356255 FC Annotated Anodyne CN(Cc1ccco1)C(=O)[C@H](O)[C@@H](O)C(=O)NCCc1cccs1 ZINC000045386474 FC Annotated Anodyne CC(C)=CC(=O)O[C@@H]1C(C)=C2C(=O)C=C(C)[C@]2(O)[C@H]2OC(=O)C[C@@H]2[C@H]1O ZINC000045497888 FC Annotated Mild CCOC(=O)N1CCN([N+](=O)NOc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000472660151 FC Annotated Mild CN(C)CCCn1c(=O)n(O)c(=O)c2c1ncn2CCc1ccccc1 ZINC000473086921 FC Annotated Anodyne O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1C[C@@H](O)CN1CCNCC1 ZINC000473090741 FC Annotated Anodyne O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1C[C@H](O)CN1CCNCC1 ZINC000473090745 FC Annotated Anodyne C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC=C[C@H](C2CCCCC2)N(C)C1=O ZINC000473097009 FC Annotated Anodyne COCc1ccc2c(N3CCOC[C@H]3C)nc(-c3cnc(=N)[nH]c3)nn12 ZINC000473107773 FC Annotated Anodyne COCc1ccc2c(N3CCOC[C@@H]3C)nc(-c3cnc(=N)[nH]c3)nn12 ZINC000473107774 FC Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]c23)cn1 ZINC000473108231 FC Annotated Anodyne CN(C)C(=O)c1ccc2c(N3CCOCC3)nc(-c3cnc(=N)[nH]c3)nn12 ZINC000473108503 FC Annotated Anodyne CC[C@@]1(O)CN[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@H]1[C@@H]3O ZINC000473110524 FC Annotated Anodyne COC(=O)c1cccc(NC(=O)C2(N)CCN(c3cc[nH]c(=N)n3)CC2)c1 ZINC000473113246 FC Annotated Anodyne O=C(NCCCO)[C@@H]1c2c(O)cccc2-n2c(=O)c3ccccc3c(=O)n21 ZINC000473117398 FC Annotated Clean O=C(NCCCO)[C@H]1c2c(O)cccc2-n2c(=O)c3ccccc3c(=O)n21 ZINC000473117399 FC Annotated Clean COC(=O)C[C@H](NC(=O)C(=O)c1ccccc1NC(C)=O)C(=O)OC ZINC000473119692 FC Annotated Anodyne C[C@@]12CC[C@@]3(O)OC(=O)C=C3[C@H]1CC[C@@]13C[C@H](CC[C@@H]21)[C@@](O)(CO)[C@@H]3O ZINC000473125602 FC Annotated Anodyne Cc1ccc(-c2cnc(C(=O)N3CCOCC3)o2)cc1S(N)(=O)=O ZINC000473128580 FC Annotated Anodyne CCOC(=O)C1=NN2C(=NC(C)=C(C(N)=O)[C@@H]2c2ccc(N(C)C)cc2)N1 ZINC000473135222 FC Annotated Clean CCOC(=O)C1=NN2C(=NC(C)=C(C(N)=O)[C@H]2c2ccc(N(C)C)cc2)N1 ZINC000473135223 FC Annotated Clean CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1OC(=O)[C@H]1C(C)C)C(C)C)C(=O)O ZINC000473136277 FC Annotated Anodyne CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1OC(=O)[C@@H]1C(C)C)C(C)C)C(=O)O ZINC000473136278 FC Annotated Anodyne CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1OC(=O)[C@@H]1C(C)C)C(C)C)C(=O)O ZINC000473136279 FC Annotated Anodyne CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1OC(=O)[C@H]1C(C)C)C(C)C)C(=O)O ZINC000473136280 FC Annotated Anodyne COC(=O)C1=NN2C(=NC(C)=C(C(N)=O)[C@H]2c2ccc(N(C)C)cc2)N1 ZINC000473136339 FC Annotated Clean COC(=O)C1=NN2C(=NC(C)=C(C(N)=O)[C@@H]2c2ccc(N(C)C)cc2)N1 ZINC000473136340 FC Annotated Clean COC1=C[C@@H](O)[C@@H]2C(=O)O[C@@H](C)C[C@H]3CC(=O)[C@@H](O)[C@H](C/C=C/C2=C1)O3 ZINC000473149730 FC Annotated Anodyne COC1=C[C@@H](O)[C@H]2C(=O)O[C@@H](C)C[C@H]3CC(=O)[C@@H](O)[C@H](C/C=C/C2=C1)O3 ZINC000473149731 FC Annotated Anodyne COC1=C[C@H](O)[C@H]2C(=O)O[C@@H](C)C[C@H]3CC(=O)[C@@H](O)[C@H](C/C=C/C2=C1)O3 ZINC000473149732 FC Annotated Anodyne COC1=C[C@H](O)[C@@H]2C(=O)O[C@@H](C)C[C@H]3CC(=O)[C@@H](O)[C@H](C/C=C/C2=C1)O3 ZINC000473149733 FC Annotated Anodyne COc1ccc2c(c1)[C@]13CCN[C@@H](C2)[C@]1(O)CC[C@@]1(C3)NC(=O)NC1=O ZINC000473210243 FC Annotated Anodyne Nc1no[nH]c1=NC(=O)Cn1c2ccccc2c2nc3nonc3nc21 ZINC000474605273 FC Annotated Bother [N-]=[N+]=N[C@H]1C[C@H](n2cc(-c3cc(CO)on3)c(O)nc2=O)O[C@@H]1CO ZINC000474606118 FC Annotated Clean CC(=O)NCc1ccc2c(N3CCOCC3)nc(-c3cnc(=N)[nH]c3)nn12 ZINC000474609836 FC Annotated Anodyne CN(C)Cc1ccc2c(N3CCOCC3)nc(-c3cnc(=N)[nH]c3)nn12 ZINC000474609891 FC Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC[C@@](CO)(CN1CCOCC1)C3=O ZINC000048999018 FC Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC[C@](CO)(CN1CCOCC1)C3=O ZINC000048999020 FC Annotated Anodyne O[C@@H]1[C@@H](CSc2ccc(I)cc2)O[C@@H](O)[C@@H]1O ZINC000049021697 FC Annotated Anodyne O[C@H]1O[C@H](CSc2ccc(I)cc2)[C@@H](O)[C@H]1O ZINC000049021700 FC Annotated Anodyne C=C1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000049033608 FC Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000049034162 FC Annotated Mild CCNC(=S)NCCCNCCCNCCCNC(=S)NCC ZINC000049036181 FC Annotated Anodyne N#Cc1nn(C2CCCCCC2)c(=O)n(CCCN2CCOCC2)c1=O ZINC000049047402 FC Annotated Mild NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C(N)=O ZINC000049050569 FC Annotated Anodyne NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C(N)=O ZINC000049050573 FC Annotated Anodyne CCOC(=O)C(O)(Cc1nc2sccn2c1[N+](=O)[O-])C(=O)OCC ZINC000049067157 FC Annotated Bother COc1ccc2c(c1O)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@]4(O)[C@@H](OC)[C@@H](O)C3 ZINC000049088015 FC Annotated Anodyne in-vivo CN(C)c1ncnc2c1ncn2CCn1cnc2ncnc(N(C)C)c21 ZINC000049089888 FC Annotated Anodyne C=C[C@@]12COC(=O)C(=C)[C@@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1[C@@H](OC(=O)C(=C)CO)C2 ZINC000049176726 FC Annotated Mild COc1cc(CCCO)cc2c1O[C@H](C1=C[C@H](O)[C@H](O)CC1)[C@H]2CO ZINC000049781465 FC Annotated Anodyne CO[C@@]12C[C@@H]3[C@@H](NC(=O)c4ccc(Br)n43)[C@@H]1NC(=O)N2C ZINC000049784460 FC Annotated Anodyne CN(C)CCn1c(=O)c(C#N)nn(-c2cccc(C(F)(F)F)c2)c1=O ZINC000049785953 FC Annotated Mild CN1[C@H]2C[C@@H](C(=O)O)[C@@H]1[C@@H]1Cc3c(O)ccc(O)c3[C@H](CO)N1[C@@H]2C#N ZINC000049799785 FC Annotated Mild CCc1cc(=O)oc2c(C)c(OC(=O)NCC(=O)NCC(=O)O)ccc12 ZINC000049808276 FC Annotated Anodyne CCOP(=O)(C[C@@H]1C[C@H](N2C=N[C@H]3C(N)=NC=N[C@@H]32)ON1C)OCC ZINC000049946906 FC Annotated Anodyne CCOP(=O)(C[C@H]1C[C@H](N2C=N[C@H]3C(N)=NC=N[C@@H]32)ON1C)OCC ZINC000049946907 FC Annotated Anodyne CCOP(=O)(C[C@@H]1C[C@@H](N2C=N[C@H]3C(N)=NC=N[C@@H]32)ON1C)OCC ZINC000049946908 FC Annotated Anodyne CCOP(=O)(C[C@H]1C[C@@H](N2C=N[C@H]3C(N)=NC=N[C@@H]32)ON1C)OCC ZINC000049946909 FC Annotated Anodyne CC(=O)NC[C@@H]1CC(c2ccc(C3=CCN(C(=O)CO)CC3)cc2)=NO1 ZINC000000580411 FC Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 ZINC000000762950 FC Annotated Reactive Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 ZINC000000762951 FC Annotated Reactive CCOC(=O)Cc1nc2nc(N3CCN(C(C)=O)CC3)ccc2[nH]c1=O ZINC000000766730 FC Annotated Anodyne CO[C@H]1N([C@@H]2C[C@@H](F)[C@H](CO)O2)C(O)=NC(=O)[C@]1(C)Br ZINC000000837736 FC Annotated Anodyne C[C@H](CC(=O)O)NC(=O)CN1CCc2ccc(N3CCNCC3)cc2C1=O ZINC000000838655 FC Annotated Anodyne C/C=C1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 ZINC000000899345 FC Annotated Anodyne C=C[C@@]12COC(=O)C(=C)[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)CO)C2 ZINC000005066797 FC Annotated Mild C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@H]23 ZINC000005080895 FC Annotated Anodyne COCCNC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21 ZINC000005084365 FC Annotated Anodyne C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O ZINC000005132686 FC Annotated Bother Cc1cc(=O)n2nc(N3CCC(C(=O)N4CCOCC4)CC3)sc2n1 ZINC000005148870 FC Annotated Anodyne CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)c1 ZINC000005155480 FC Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@H](OC(=O)/C(C)=C\C)C(C)=C1C(=O)C=C(C)[C@@]12O ZINC000005179149 FC Annotated Mild in-vitro biogenic CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@]2(COC(=O)CCl)CC1)[C@@]31CO1 ZINC000005493149 FC Annotated Reactive CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@@]2(COC(=O)CCl)CC1)[C@@]31CO1 ZINC000005493150 FC Annotated Reactive CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)CCl)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1 ZINC000005493153 FC Annotated Reactive CC1=C[C@H]2O[C@@H]3[C@H](OC(=O)CCl)[C@@H](O)[C@](C)([C@@]2(CO)CC1)[C@@]31CO1 ZINC000005493157 FC Annotated Reactive CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000005496930 FC Annotated Anodyne O=C1C=CC(=O)c2c(O)c(N3CCN(CCO)CC3)c(Cl)c(O)c21 ZINC000005498620 FC Annotated Mild C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)[C@@]1(C)CO1)C[C@H](C)[C@]1(O)C=CC(=O)[C@@]21C ZINC000523041616 FC Annotated Mild C=C(C)C(=O)O[C@@H]1[C@@H]2OC(=O)C(=C)[C@H]2[C@@H](O)[C@@H](C(=C)C=O)[C@]1(C)[C@@H]1CO1 ZINC000523041692 FC Annotated Reactive CC(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@H](C)[C@H](O)[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000523042432 FC Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(CN3CCNCC3)[C@@H]2F)C1=O ZINC000053177236 FC Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(CN3CCNCC3)[C@H]2F)C1=O ZINC000053177237 FC Annotated Mild C[C@H]1CO[C@H]2C(CN3CCNCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053188971 FC Annotated Mild C[C@H]1CO[C@@H]2C(CN3CCNCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053188972 FC Annotated Mild C[C@H]1CO[C@H]2C(CN3CCNCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000053188973 FC Annotated Mild C[C@H]1CO[C@@H]2C(CN3CCNCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000053188974 FC Annotated Mild CC1=C(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)OCN1C ZINC000053246592 FC Annotated Anodyne O=C(CSc1nc(-c2ccncc2)n[nH]1)N[C@H]1CCS(=O)(=O)C1 ZINC000005531414 FC Annotated Anodyne CC(=O)OC[C@@H]1OC(c2nnc(C)o2)=C[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005537698 FC Annotated Anodyne CC(=O)OC[C@@H]1OC(c2nnc(C)o2)=C[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005537703 FC Annotated Anodyne CC(=O)OC[C@@H]1OC(c2nnc(C)o2)=C[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005537706 FC Annotated Anodyne CC(=O)OC[C@@H]1OC(c2nnc(C)o2)=C[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005537710 FC Annotated Anodyne O=C1c2ccccc2C(=O)c2c(NCCNCCO)ccc(NCCO)c21 ZINC000005545062 FC Annotated Clean CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@@H]2O)OC1=O ZINC000005663933 FC Annotated Anodyne C[C@@H](CO)[C@H]1OC(=O)C=C2[C@@]3(C)C[C@@H]4O[C@@H]4[C@]4(C)C(=O)O[C@@H]([C@H]34)[C@H]3O[C@]213 ZINC000005665176 FC Annotated Anodyne COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@H]3OC(N)=O)C1=O ZINC000005707208 FC Annotated Mild CC1=C(N2CC2)C(=O)c2c(COC(N)=O)c3n(c2C1=O)CC[C@H]3OC(N)=O ZINC000005707209 FC Annotated Mild C[C@H](CO)[C@H]1OC(=O)C=C2[C@@]3(C)C[C@@H]4O[C@@H]4[C@]4(C)C(=O)O[C@@H]([C@H]34)[C@H]3O[C@@]231 ZINC000005751452 FC Annotated Anodyne COC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@@](C)(O)[C@]12CCOC2=O ZINC000005757498 FC Annotated Anodyne COC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@](C)(O)[C@@]12CCOC2=O ZINC000005757525 FC Annotated Anodyne COC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@@](C)(O)[C@@]12CCOC2=O ZINC000005757527 FC Annotated Anodyne CC1(C)C(=O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000005762001 FC Annotated Anodyne C=C1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]52[C@@H]3[C@@H](O)C[C@@H]14 ZINC000005762298 FC Annotated Mild in-vitro biogenic C=C1[C@@H](O)C[C@H](O)C(C)(C)C(=O)[C@H](O)C[C@]23C[C@@](C)(O)[C@H](CC[C@@H]12)[C@H]3O ZINC000005765514 FC Annotated Mild CC1(C)[C@@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H]3[C@](O)(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000005765515 FC 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]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000005765519 FC Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@H](OC(=O)C=C(C)C)C(C)=C1C(=O)C=C(C)[C@@]12O ZINC000005766750 FC Annotated Mild CC1=C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H](C[C@H](O)C4(C)C)[C@](C)(O)[C@@H]2CC[C@@H]1[C@@H]3O ZINC000005767595 FC Annotated Anodyne Cc1ccc(N(C=O)c2c([N+](=O)[O-])cc([N+](=O)[O-])c3c2=[N+]([O-])CN=3)cc1 ZINC000005808382 FC Annotated Bother COC(=O)[C@H]1C(=O)O[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OC ZINC000005809588 FC Annotated Anodyne COC(=O)[C@H]1C(=O)O[C@@H](c2cc(OC)c(OC)cc2OC)[C@@H]1C(=O)OC ZINC000005811039 FC Annotated Anodyne COC(=O)[C@H]1C(=O)O[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)OC ZINC000005811041 FC Annotated Anodyne COC(=O)CC[C@H](NC(=S)N/N=C(\C)c1cnccn1)C(=O)OC ZINC000005811867 FC Annotated Mild COC(=O)CC[C@@H](NC(=S)N/N=C(\C)c1cnccn1)C(=O)OC ZINC000005811871 FC Annotated Mild CCOC(=O)/C(C#N)=C1/C(O)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC ZINC000005827973 FC Annotated Reactive CO[C@@H]1N([C@@H]2C[C@H](F)[C@H](CO)O2)C(=O)NC(=O)[C@@]1(C)Br ZINC000005832378 FC Annotated Anodyne CO[C@H]1N([C@@H]2C[C@H](F)[C@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br ZINC000005832407 FC Annotated Anodyne CS[C@]12[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C(=O)N1C)C(=O)N2c1ccccc1 ZINC000005847922 FC Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC(=O)[C@@]2(C1)OCC[C@H]1OC(=O)C[C@H]12 ZINC000005851287 FC Annotated Anodyne CC1(C)O[C@@H]2CO[C@@]3([C@@H]4OC(C)(C)O[C@H]4CO)OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000005925003 FC Annotated Anodyne CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@]3([C@@H]3OC(C)(C)O[C@H]3CO)OC[C@H]2O1 ZINC000005925005 FC Annotated Anodyne CC1(C)O[C@H]([C@@]23OC[C@H]4OC(C)(C)O[C@H]4[C@@H]2OC(C)(C)O3)[C@@H](CO)O1 ZINC000005925007 FC Annotated Anodyne CCc1c(C)c(C#N)c(=S)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1C ZINC000005956182 FC Annotated Mild CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1C ZINC000005956184 FC Annotated Mild CC1(C)O[C@H]([C@@]23O[C@@H]4COC(C)(C)O[C@H]4[C@H]2OC(C)(C)O3)[C@@H](CO)O1 ZINC000005963767 FC Annotated Anodyne CC1(C)OC[C@H]2O[C@@]3([C@@H]4OC(C)(C)O[C@H]4CO)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000005963768 FC Annotated Anodyne CC1(C)O[C@H]([C@@]23O[C@H]4COC(C)(C)O[C@H]4[C@H]2OC(C)(C)O3)[C@@H](CO)O1 ZINC000005963781 FC Annotated Anodyne CC1(C)OC[C@@H]2O[C@@]3([C@@H]4OC(C)(C)O[C@H]4CO)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000005963782 FC Annotated Anodyne CC1(C)O[C@@H]2CO[C@@]3([C@@H]4OC(C)(C)O[C@@H]4CO)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000005963795 FC Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3([C@@H]4OC(C)(C)O[C@@H]4CO)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000005963797 FC Annotated Anodyne CC1(C)O[C@H]2CO[C@@]3([C@@H]4OC(C)(C)O[C@@H]4CO)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000005963823 FC Annotated Anodyne CC1(C)O[C@H]2CO[C@]3([C@@H]4OC(C)(C)O[C@@H]4CO)OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000005963824 FC Annotated Anodyne Cc1ccc(OCCC(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005986992 FC Annotated Anodyne Cc1ccc(OCCC(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005986995 FC Annotated Anodyne COCCn1c(CN2CCNC(=O)C2)cnc1S(=O)(=O)CC(C)(C)C ZINC000055061138 FC Annotated Anodyne CN(C)C(=O)CN1CCN(c2nc3nonc3nc2N2CCCCC2)CC1 ZINC000055133423 FC Annotated Anodyne CN(C)C(=O)CN1CCN(c2nc3nonc3nc2NC2CCCC2)CC1 ZINC000055371533 FC Annotated Anodyne C[C@@H]1[C@@H](O)C[C@@]2(O)[C@@H]1[C@H]1O[C@@]3(O)C[C@]2(C)[C@@H]2C[C@@H]([C@@H](C)CO)[C@@]3(C)[C@@]21O ZINC000056874713 FC Annotated Anodyne in-vitro C[C@@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)C[C@H](O)[C@H](C)[C@@H]42)[C@@]13C ZINC000056874716 FC Annotated Anodyne in-vitro COc1cc(C(=O)O)cc(C(=O)/C=C(\C=C(\O)C(=O)O)C(=O)O)c1O ZINC000056875190 FC Annotated Mild in-vitro CN1CCN(C(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CC1 ZINC000058137015 FC Annotated Anodyne CN1[C@H]2C[C@@H](C(=O)O)[C@@H]1[C@@H]1Cc3c(O)ccc(O)c3[C@H](CO)N1[C@H]2C#N ZINC000058500252 FC Annotated Mild N#CC(C#N)=C1N(CCN2CCCCC2)CCN1CCN1CC[C@@H](O)C1 ZINC000058528282 FC Annotated Reactive O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@@H]1C(=O)C=C4S[C@@H](C[C@@]43[C@H]1O)N2 ZINC000058535134 FC Annotated Mild CC(C)C[C@H]1CN(C[C@H](CC(C)C)NC(=O)[C@@H]2CC(=O)CN2)CC(=O)N1 ZINC000058537844 FC Annotated Anodyne C[C@](O)(C[C@H]1C=C(CO)C(=O)O1)[C@H]1COc2ccc3ccc(=O)oc3c2O1 ZINC000058547176 FC Annotated Anodyne C[C@@H]1COc2c(N3CCN(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000058575829 FC Annotated Anodyne CC(C)C[C@H]1C(=O)N(COC(=O)c2ccccc2O)S(=O)(=O)N1C ZINC000058590763 FC Annotated Anodyne N[C@@H](Cc1cnc[nH]1)c1nc(C=C2C=CC(=O)C=C2)c(O)n1CC(=O)O ZINC000058638402 FC Annotated Mild C[C@@H](O)[C@H](N)C1=N/C(=C\c2c[nH]c3cccc(N)c23)C(=O)N1CC(=O)O ZINC000058638561 FC Annotated Anodyne in-vivo C[C@H]1COC2=C3C(=C(O)C(C(=O)O)=CN31)CC(F)=C2N1CCN(N)CC1 ZINC000058639138 FC Annotated Anodyne CCC(=O)N[C@H]1c2nc(CCc3ccccc3)cn2[C@H](CO)[C@@H](O)[C@@H]1O ZINC000058655551 FC Annotated Anodyne in-vitro N[C@@H](CCCC/N=C1/CNC[C@@H](CCC(=O)O)[C@H]1CC(=O)O)C(=O)O ZINC000058660403 FC Annotated Mild C#CCN[C@@H]1[C@@H](O)[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@H]1C=C(C)CC[C@@]12COC(C)=O ZINC000058669164 FC Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@H](O)C(=O)O)nc2c1 ZINC000586884816 FC Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@@H](O)C(=O)O)nc2c1 ZINC000586884836 FC Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@H](O)C(=O)O)nc2c1 ZINC000586884837 FC Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@@H](O)C(=O)O)nc2c1 ZINC000586884838 FC Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2c1 ZINC000586884851 FC Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2c1 ZINC000586884855 FC Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2c1 ZINC000586884856 FC Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2c1 ZINC000586884857 FC Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](O)CC(=O)O)[nH]c2c1 ZINC000586886772 FC Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](O)CC(=O)O)[nH]c2c1 ZINC000586886781 FC Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](O)[C@H](O)C(=O)O)[nH]c21 ZINC000586887632 FC Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](O)[C@H](O)C(=O)O)[nH]c21 ZINC000586887643 FC Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](O)[C@@H](O)C(=O)O)[nH]c21 ZINC000586887645 FC Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c21 ZINC000586887648 FC Annotated Clean OC[C@@H](O)[C@@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586888462 FC Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586888463 FC Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586888464 FC Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586888465 FC Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@@H](O)C(=O)O)nc2c1 ZINC000586889038 FC Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@H](O)C(=O)O)nc2c1 ZINC000586889049 FC Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@@H](O)C(=O)O)nc2c1 ZINC000586889050 FC Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@H](O)C(=O)O)nc2c1 ZINC000586889051 FC Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@@H](O)CO)nc2c1 ZINC000586889126 FC Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@H](O)CO)nc2c1 ZINC000586889128 FC Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)[C@H](O)CO)nc2c1 ZINC000586889129 FC Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)[C@@H](O)CO)nc2c1 ZINC000586889136 FC Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586890099 FC Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586890102 FC Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586890103 FC Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586890104 FC Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586893223 FC Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586893225 FC Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586893226 FC Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586893227 FC Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586900599 FC Annotated Anodyne O=C(c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586910940 FC Annotated Anodyne O=C(c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586910941 FC Annotated Anodyne O=S(=O)(c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1)N1CCOCC1 ZINC000586911273 FC Annotated Anodyne O=S(=O)(c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1)N1CCOCC1 ZINC000586911277 FC Annotated Anodyne O=C(c1ccc2nc(C3(O)CCOCC3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586914318 FC Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586920344 FC Annotated Bother CC1=C(c2ccc3nc([C@@H](N)CP(=O)(O)O)[nH]c3c2)NNC(=O)C1 ZINC000586920457 FC Annotated Anodyne N#Cc1nc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2nc1C#N ZINC000586920846 FC Annotated Mild Nc1nc(O)c2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000586921145 FC Annotated Bother N[C@@H](CP(=O)(O)O)c1nc2cc(I)cnc2[nH]1 ZINC000586921354 FC Annotated Anodyne Nc1nc(O)c2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2n1 ZINC000586921466 FC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2nc(Br)c[nH]c-2n1 ZINC000586922157 FC Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586922166 FC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000586922545 FC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586923506 FC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586923533 FC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586923559 FC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586923724 FC Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586923776 FC Annotated Anodyne CS(=O)(=O)/C=C/c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586925711 FC Annotated Anodyne CS(=O)(=O)/C=C\c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586925717 FC Annotated Anodyne CN(Cc1nc2c(O)nc(N)nc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928439 FC Annotated Anodyne COC(=O)c1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cn1 ZINC000586928452 FC Annotated Anodyne CN(Cc1nc2nc(C#N)c(C#N)nc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928516 FC Annotated Mild CN(Cc1nc2c(O)nc(O)nc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928744 FC Annotated Mild CN(Cc1nc2ccc(C(=O)NN)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928847 FC Annotated Reactive CN(Cc1nc2c(O)nc(N)nc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928972 FC Annotated Mild CN(Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)S(=O)(=O)c1cccnc1 ZINC000586929093 FC Annotated Anodyne CN(Cc1nc2c(O)nc(S)nc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929152 FC Annotated Anodyne COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2n1 ZINC000586929158 FC Annotated Anodyne CN(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929231 FC Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(O)nc(S)nc2[nH]1 ZINC000586929896 FC Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586929980 FC Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586930155 FC Annotated Mild CN(C)S(=O)(=O)c1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)o1 ZINC000586930231 FC Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(O)nc(N)nc2[nH]1 ZINC000586930520 FC Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586930711 FC Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(O)nc(O)nc2[nH]1 ZINC000586930877 FC Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586931629 FC Annotated Anodyne CC1=C(c2ccc3nc(CCS(=O)(=O)N(C)C)[nH]c3c2)NNC(=O)C1 ZINC000586931797 FC Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000586931860 FC Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586931896 FC Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586931987 FC Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586932236 FC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc12 ZINC000586932432 FC Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4cc(S(N)(=O)=O)c[nH]4)nc3c2)NNC(=O)C1 ZINC000586933188 FC Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000586934986 FC Annotated Anodyne COc1nccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 ZINC000586935413 FC Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000586935530 FC Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(CCO)cc3[nH]2)c1 ZINC000586935950 FC Annotated Anodyne COc1ccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2n1 ZINC000586936036 FC Annotated Anodyne N#Cc1cccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 ZINC000586936039 FC Annotated Mild COc1cncc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 ZINC000586936549 FC Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(CO)cc3[nH]2)c1 ZINC000586936574 FC Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)c1 ZINC000586936785 FC Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586936870 FC Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586936875 FC Annotated Bother NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000586937047 FC Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cn1 ZINC000586937415 FC Annotated Anodyne COC(=O)c1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cn1 ZINC000586937416 FC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586938113 FC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586938135 FC Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc12 ZINC000586938999 FC Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc12 ZINC000586939001 FC Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2n1 ZINC000586939378 FC Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2n1 ZINC000586939379 FC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586939384 FC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586939385 FC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586939453 FC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586939454 FC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586939718 FC Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586939719 FC Annotated Bother C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586939896 FC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586939897 FC Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586939940 FC Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586939941 FC Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cnccc3[nH]2)cc1 ZINC000586940387 FC Annotated Mild Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000586940700 FC Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000586940701 FC Annotated Anodyne Nc1ccnc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 ZINC000586940994 FC Annotated Anodyne Nc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cn1 ZINC000586941096 FC Annotated Anodyne O=S(=O)(NCc1nc2ccnc(O)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941268 FC Annotated Anodyne Nc1nccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586941311 FC Annotated Anodyne CNS(=O)(=O)NCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586941537 FC Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586941617 FC Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(I)cc2[nH]1 ZINC000586941693 FC Annotated Anodyne O=S(=O)(NCc1nc2c(O)ncnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941773 FC Annotated Anodyne CNS(=O)(=O)NCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586941860 FC Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586941887 FC Annotated Bother Nc1ncnc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 ZINC000586942014 FC Annotated Anodyne Nc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cn1 ZINC000586942139 FC Annotated Anodyne Nc1ncnc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc12 ZINC000586942162 FC Annotated Anodyne N=c1[nH]cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)nc-2[nH]1 ZINC000586942322 FC Annotated Anodyne O=S(=O)(NCc1nc2cnnc(O)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942476 FC Annotated Anodyne O=S(=O)(NCCc1nc2c(O)ncnc2[nH]1)c1ccc(Cl)nc1 ZINC000586942827 FC Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586942896 FC Annotated Bother Nc1nccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942927 FC Annotated Anodyne CNS(=O)(=O)NCc1nc2cccc(I)c2[nH]1 ZINC000586942975 FC Annotated Anodyne CNS(=O)(=O)NCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586943005 FC Annotated Anodyne Nc1nc(O)c2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2n1 ZINC000586943083 FC Annotated Anodyne O=S(=O)(NCCc1nc2c(O)nc(O)nc2[nH]1)c1ccc(Cl)nc1 ZINC000586943170 FC Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586943203 FC Annotated Anodyne O=S(=O)(NCCc1nc2cnnc(O)c2[nH]1)c1ccc(Cl)nc1 ZINC000586943232 FC Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(I)cnc2[nH]1 ZINC000586943244 FC Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586943467 FC Annotated Clean CCS(=O)(=O)NCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586943974 FC Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586944799 FC Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586945114 FC Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586945316 FC Annotated Reactive Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586945591 FC Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586945646 FC Annotated Mild CNS(=O)(=O)c1ccc(CCc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000586946109 FC Annotated Mild CNS(=O)(=O)c1ccc(CCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 ZINC000586946763 FC Annotated Reactive CNS(=O)(=O)c1cc(-c2nc3c(S)nc(S)nc3[nH]2)n(C)c1 ZINC000586947063 FC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nc(Br)c[nH]c-3n2)n(C)c1 ZINC000586947316 FC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)n(C)c1 ZINC000586947347 FC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)n(C)c1 ZINC000586947365 FC Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)n(C)c1 ZINC000586947538 FC Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000586949094 FC Annotated Mild Cc1nc(NS(C)(=O)=O)sc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586951160 FC Annotated Mild Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586951628 FC Annotated Reactive CNS(=O)(=O)N1CCC(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC1 ZINC000586954465 FC Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2N)C1 ZINC000586954481 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC1 ZINC000586954483 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC1 ZINC000586954488 FC Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(O)ncnc4[nH]3)c2N)C1 ZINC000586954728 FC Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cnnc(O)c4[nH]3)c2N)C1 ZINC000586954748 FC Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccnc(N)c4[nH]3)c2N)C1 ZINC000586954801 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 ZINC000586954880 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC1 ZINC000586954912 FC Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(N)ncnc4[nH]3)c2N)C1 ZINC000586954929 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)OCCO4)CC1 ZINC000586955320 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(C(=O)N(C)C)cc3[nH]2)CC1 ZINC000586955371 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(C(=O)OC)ccnc3[nH]2)CC1 ZINC000586955402 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(C(=O)OC)cc3[nH]2)CC1 ZINC000586955523 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(C(=O)OC)nc3[nH]2)CC1 ZINC000586955524 FC Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(N)ncc4[nH]3)c2N)C1 ZINC000586955710 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 ZINC000586955724 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(S)nc(S)nc3[nH]2)CC1 ZINC000586956158 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 ZINC000586956200 FC Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C(=O)OC)ncc3[nH]2)CC1 ZINC000586956208 FC Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586957553 FC Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586957554 FC Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586958610 FC Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586958612 FC Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586959532 FC Annotated Mild C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586959533 FC Annotated Mild C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586959989 FC Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586959993 FC Annotated Anodyne NS(=O)(=O)c1cccc2nc(CSc3nc(O)cc(O)n3)[nH]c12 ZINC000586966826 FC Annotated Anodyne O=C(CBr)NCCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586970742 FC Annotated Reactive CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(O)nc(O)nc3[nH]2)s1 ZINC000587023800 FC Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3c(O)nc(N)nc3[nH]2)s1 ZINC000587024151 FC Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(O)nc(N)nc2[nH]1 ZINC000587118131 FC Annotated Bother Nc1nc(O)c2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2n1 ZINC000587126983 FC Annotated Anodyne O=S(=O)(NCc1nc2cnnc(O)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134918 FC Annotated Anodyne Nc1ncnc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc12 ZINC000587135429 FC Annotated Anodyne O=S(=O)(NCc1nc2c(O)ncnc2[nH]1)c1ccc(F)c(F)c1F ZINC000587135636 FC Annotated Anodyne Nc1nc(O)c2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2n1 ZINC000587135931 FC Annotated Anodyne N=c1[nH]cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc-2[nH]1 ZINC000587136307 FC Annotated Anodyne Nc1nc(O)c2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2n1 ZINC000587164531 FC Annotated Anodyne CN(Cc1nc2c(O)nc(O)nc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169344 FC Annotated Anodyne CN(Cc1nc2c(O)nc(N)nc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169368 FC Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cnnc(O)c3[nH]2)n1 ZINC000587181776 FC Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ncc[nH]c-3n2)n1 ZINC000587181789 FC Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cncnc3[nH]2)n1 ZINC000587181795 FC Annotated Anodyne N=c1[nH]cc2nc(-c3nc(O)nc(O)c3I)nc-2[nH]1 ZINC000587181887 FC Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c(O)ncnc3[nH]2)n1 ZINC000587181994 FC Annotated Anodyne Nc1nccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587182186 FC Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cnncc3[nH]2)n1 ZINC000587182412 FC Annotated Anodyne Nc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cn1 ZINC000587183065 FC Annotated Anodyne Nc1ncnc2[nH]c(-c3nc(O)nc(O)c3I)nc12 ZINC000587183466 FC Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cnncc3[nH]2)n1 ZINC000587184554 FC Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3ncncc3[nH]2)n1 ZINC000587184577 FC Annotated Anodyne O=C(O)c1nn(Cc2nc3cncnc3[nH]2)cc1I ZINC000587184989 FC Annotated Anodyne O=C(O)c1nn(Cc2nc3cnncc3[nH]2)cc1I ZINC000587184999 FC Annotated Anodyne O=C(O)c1nn(Cc2nc3ncc[nH]c-3n2)cc1I ZINC000587186152 FC Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3ncc[nH]c-3n2)n1 ZINC000587186463 FC Annotated Anodyne Nc1nc(O)c2nc(-c3nccnc3I)[nH]c2n1 ZINC000587186766 FC Annotated Anodyne Oc1nc(O)c2nc(-c3nccnc3I)[nH]c2n1 ZINC000587186771 FC Annotated Anodyne C[C@@H](Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)N(C)C ZINC000587191818 FC Annotated Anodyne C[C@H](Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)N(C)C ZINC000587191840 FC Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587193501 FC Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587193502 FC Annotated Anodyne Nc1nc(O)c2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2n1 ZINC000587193679 FC Annotated Anodyne C=C(NC(C)=O)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587202274 FC Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587202599 FC Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587202600 FC Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587202627 FC Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587202633 FC Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587203585 FC Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587203586 FC Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587204258 FC Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587204263 FC Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587205150 FC Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587205151 FC Annotated Anodyne CC(=O)C(=O)[C@@](O)(C(C)=O)[C@@](O)(c1cc2c3c(cccc3n1)CC2)[C@@H](C)O ZINC000587215790 FC Annotated Clean CC(=O)C(=O)[C@@](O)(c1cc2c3c(cccc3n1)CC2)[C@@](O)(C(C)=O)[C@@H](C)O ZINC000587216021 FC Annotated Clean CC(=O)[C@](O)(C(=O)c1cc2c3c(cccc3n1)CC2)[C@@](O)(C(C)=O)[C@@H](C)O ZINC000587216132 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cncc(Cl)c2[nH]1 ZINC000587216918 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cncc(Cl)c2[nH]1 ZINC000587216950 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cncc(Cl)c2[nH]1 ZINC000587216952 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cncc(Cl)c2[nH]1 ZINC000587216953 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccnc(Cl)c2[nH]1 ZINC000587216955 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccnc(Cl)c2[nH]1 ZINC000587216956 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccnc(Cl)c2[nH]1 ZINC000587216958 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccnc(Cl)c2[nH]1 ZINC000587216960 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccc(O)c2[nH]1 ZINC000587217533 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccc(O)c2[nH]1 ZINC000587217536 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccc(O)c2[nH]1 ZINC000587217538 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccc(O)c2[nH]1 ZINC000587217540 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587217873 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587217882 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587217884 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587217886 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587218228 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587218229 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587218230 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587218232 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(Cl)nc2[nH]1 ZINC000587218323 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(Cl)nc2[nH]1 ZINC000587218325 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(Cl)nc2[nH]1 ZINC000587218327 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(Cl)nc2[nH]1 ZINC000587218328 FC Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 ZINC000587218644 FC Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 ZINC000587218650 FC Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 ZINC000587218652 FC Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 ZINC000587218654 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccc(F)c2[nH]1 ZINC000587219218 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccc(F)c2[nH]1 ZINC000587219219 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccc(F)c2[nH]1 ZINC000587219220 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccc(F)c2[nH]1 ZINC000587219221 FC Annotated Anodyne Cc1cc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c(C)n1 ZINC000587221834 FC Annotated Anodyne Cc1cc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c(C)n1 ZINC000587221835 FC Annotated Anodyne Cc1cc2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c(C)n1 ZINC000587221836 FC Annotated Anodyne Cc1cc2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c(C)n1 ZINC000587221837 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)ncc2[nH]1 ZINC000587222499 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)ncc2[nH]1 ZINC000587222500 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)ncc2[nH]1 ZINC000587222502 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)ncc2[nH]1 ZINC000587222503 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Cl)ccnc2[nH]1 ZINC000587222802 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Cl)ccnc2[nH]1 ZINC000587222805 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Cl)ccnc2[nH]1 ZINC000587222808 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Cl)ccnc2[nH]1 ZINC000587222811 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)cnc2[nH]1 ZINC000587222813 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)cnc2[nH]1 ZINC000587222816 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)cnc2[nH]1 ZINC000587222819 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)cnc2[nH]1 ZINC000587222821 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(F)cc(F)c2[nH]1)C(=O)O ZINC000587222883 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(F)cc(F)c2[nH]1)C(=O)O ZINC000587222884 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(F)cc(F)c2[nH]1)C(=O)O ZINC000587222886 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(F)cc(F)c2[nH]1)C(=O)O ZINC000587222887 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587223038 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587223039 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587223041 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587223042 FC Annotated Anodyne N#Cc1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1 ZINC000587223464 FC Annotated Mild N#Cc1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1 ZINC000587223465 FC Annotated Mild N#Cc1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1 ZINC000587223467 FC Annotated Mild N#Cc1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1 ZINC000587223468 FC Annotated Mild Cc1cc2nc(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2cc1F ZINC000587223913 FC Annotated Anodyne Cc1cc2nc(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2cc1F ZINC000587223915 FC Annotated Anodyne Cc1cc2nc(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)[nH]c2cc1F ZINC000587223916 FC Annotated Anodyne Cc1cc2nc(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)[nH]c2cc1F ZINC000587223917 FC Annotated Anodyne Cc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1F ZINC000587224083 FC Annotated Anodyne Cc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1F ZINC000587224084 FC Annotated Anodyne Cc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1F ZINC000587224085 FC Annotated Anodyne Cc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1F ZINC000587224086 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587224335 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587224336 FC Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587224338 FC Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587224339 FC Annotated Anodyne N=c1[nH]cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)nc-2[nH]1 ZINC000587227353 FC Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cnnc(O)c2[nH]1 ZINC000587227468 FC Annotated Anodyne CC1=C(c2ccc3nc(CNCCNCC(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000587228352 FC Annotated Anodyne O=C(O)CNCCNCc1nc2cccc(I)c2[nH]1 ZINC000587228415 FC Annotated Anodyne O=C(O)CNCCNCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587228506 FC Annotated Anodyne O=C(O)CNCCNCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587228934 FC Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000587229031 FC Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CNCCNCC(=O)O)nc2c1 ZINC000587229154 FC Annotated Mild O=C(O)CNCCNCc1nc2ccc(I)cc2[nH]1 ZINC000587229201 FC Annotated Anodyne O=C(O)CNCCNCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587229338 FC Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587229395 FC Annotated Bother CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587233800 FC Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587233802 FC Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587233803 FC Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587233805 FC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCOCCOCCN)[nH]c12 ZINC000587245612 FC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCOCCOCCN)[nH]c2c1 ZINC000587245640 FC Annotated Anodyne CC1=C(c2ccc3nc(CCOCCOCCN)[nH]c3c2)NNC(=O)C1 ZINC000587246755 FC Annotated Anodyne N[C@@]1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CCOC1 ZINC000587248264 FC Annotated Anodyne N[C@]1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CCOC1 ZINC000587248265 FC Annotated Anodyne N=c1cc[nH]cc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587249896 FC Annotated Anodyne NC1CC(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)C1 ZINC000587255213 FC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c12 ZINC000587255603 FC Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587255768 FC Annotated Anodyne N[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C1COC1 ZINC000587256052 FC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)CCCNC(N)=O)[nH]c2c1 ZINC000587259312 FC Annotated Anodyne CC1=C(c2ccc3nc([C@@H](N)CCCNC(N)=O)[nH]c3c2)NNC(=O)C1 ZINC000587260046 FC Annotated Anodyne C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263691 FC Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263703 FC Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263705 FC Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263707 FC Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264023 FC Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264028 FC Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264030 FC Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264031 FC Annotated Bother N#Cc1nc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2nc1C#N ZINC000587265925 FC Annotated Mild N[C@@H](CCc1nc2cnnc(O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271104 FC Annotated Bother N=c1[nH]cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc-2[nH]1 ZINC000587271160 FC Annotated Bother Nc1nccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587271646 FC Annotated Bother COc1nccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587271851 FC Annotated Bother COc1cncc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587272165 FC Annotated Bother N[C@@H](CCc1nc2c(O)ncnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587272629 FC Annotated Bother COc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000587273250 FC Annotated Bother Nc1ccnc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587273354 FC Annotated Bother Nc1nc(O)c2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000587273426 FC Annotated Bother NS(=O)(=O)c1cccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 ZINC000587273650 FC Annotated Bother NS(=O)(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000587273742 FC Annotated Bother Nc1ncnc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587273900 FC Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccnc(O)c2[nH]1 ZINC000587274070 FC Annotated Bother N[C@@H](CCc1nc2c(O)nc(O)nc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587274540 FC Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)C(=O)[C@H](O)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587346718 FC Annotated Clean O=C1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@@H]1O ZINC000587346728 FC Annotated Clean O=C1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@H]1O ZINC000587346731 FC Annotated Clean O=C1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)[C@@H]1O ZINC000587346733 FC Annotated Clean O=C1NC(=O)C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)N1 ZINC000587349759 FC Annotated Anodyne O=C1NC(=O)C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)N1 ZINC000587349770 FC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(c(O)nc(=O)n3C)n1C)O2 ZINC000587389246 FC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(c(O)nc(=O)n3C)n1C)O2 ZINC000587389253 FC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N(C)C)n(C)c(=O)n(C)c1=O)O2 ZINC000587389965 FC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N(C)C)n(C)c(=O)n(C)c1=O)O2 ZINC000587389967 FC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)(CN[C@@H]1CCS(=O)(=O)C1)O2 ZINC000587409208 FC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)(CN[C@@H]1CCS(=O)(=O)C1)O2 ZINC000587409211 FC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)(CN[C@H]1CCS(=O)(=O)C1)O2 ZINC000587409212 FC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)(CN[C@H]1CCS(=O)(=O)C1)O2 ZINC000587409214 FC Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CN(S(=O)(=O)c3cn(C)cn3)C1)O2 ZINC000587410411 FC Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4c(c(O)nc(=O)n4C)n1C)[C@@H](C2)C3=O ZINC000587432955 FC Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4c(c(O)nc(=O)n4C)n1C)[C@@H](C2)C3=O ZINC000587432959 FC Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@@]3(C1)Oc1cc(OC)cc4c1C(=O)[C@H]3C4)N2 ZINC000587437856 FC Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@]3(C1)Oc1cc(OC)cc4c1C(=O)[C@H]3C4)N2 ZINC000587437859 FC Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N(C)C)n(C)c(=O)n(C)c1=O)[C@@H](C2)C3=O ZINC000587437992 FC Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N(C)C)n(C)c(=O)n(C)c1=O)[C@@H](C2)C3=O ZINC000587437993 FC Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(CC(=O)NCC#N)CC1)[C@@H](C2)C3=O ZINC000587439447 FC Annotated Mild COc1cc2c3c(c1)O[C@]1(COC(CN4CCOCC4)=CC1=O)[C@@H](C2)C3=O ZINC000587444900 FC Annotated Mild COc1cc2c3c(c1)O[C@@]1(COC(CN4CCOCC4)=CC1=O)[C@@H](C2)C3=O ZINC000587444901 FC Annotated Mild COc1cc2c3c(c1)O[C@]1(C=C(CN4CCOCC4)OCC1=O)[C@@H](C2)C3=O ZINC000587445366 FC Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(CN4CCOCC4)OCC1=O)[C@@H](C2)C3=O ZINC000587445367 FC Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H]1OC(C)(C)O[C@H]1CO)[C@@H](C2)C3=O ZINC000587448109 FC Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@H]1OC(C)(C)O[C@H]1CO)[C@@H](C2)C3=O ZINC000587448116 FC Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587462372 FC Annotated Reactive CCCc1c(O)ccc2c1O[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)CC2=O ZINC000587462373 FC Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C[C@H](N)C(=O)O)C=CC1=O ZINC000587478766 FC Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C[C@H](N)C(=O)O)C=CC1=O ZINC000587478777 FC Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(C=CN(C[C@H](N)C(=O)O)CC1=O)CC2=O ZINC000587480984 FC Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=CN(C[C@H](N)C(=O)O)CC1=O)CC2=O ZINC000587480986 FC Annotated Anodyne O=C1C[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587499029 FC Annotated Reactive O=C1C[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)Oc2c1ccc1c2CCCC1 ZINC000587499030 FC Annotated Reactive CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)c1ccc2c(O)nc(O)nc2n1 ZINC000587557563 FC Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)c1ccc2c(O)nc(O)nc2n1 ZINC000587557564 FC Annotated Anodyne COC(=O)N1C[C@@H]2Cc3cc4c(O)nc(O)nc4nc3C[C@H]2C[C@H]1C(=O)O ZINC000587558349 FC Annotated Anodyne COC(=O)N1C[C@@H]2Cc3cc4c(O)nc(O)nc4nc3C[C@@H]2C[C@H]1C(=O)O ZINC000587558350 FC Annotated Anodyne COC(=O)N1C[C@@H]2Cc3cc4c(O)nc(O)nc4nc3C[C@H]2C[C@@H]1C(=O)O ZINC000587558351 FC Annotated Anodyne COC(=O)N1C[C@@H]2Cc3cc4c(O)nc(O)nc4nc3C[C@@H]2C[C@@H]1C(=O)O ZINC000587558352 FC Annotated Anodyne CCOC(=O)C1=C[C@H](c2ccc3c(O)nc(O)nc3n2)C(=O)N(C)C1=N ZINC000587559489 FC Annotated Anodyne CCOC(=O)C1=C[C@@H](c2ccc3c(O)nc(O)nc3n2)C(=O)N(C)C1=N ZINC000587559495 FC Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)c1ccc2c(O)nc(O)nc2n1 ZINC000587559545 FC Annotated Anodyne CCOC(=O)[C@@H](c1ccc2c(O)nc(O)nc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000587562905 FC Annotated Anodyne CCOC(=O)[C@H](c1ccc2c(O)nc(O)nc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000587562908 FC Annotated Anodyne CCOC(=O)[C@H](c1ccc2c(O)nc(O)nc2n1)[C@H]1CCS(=O)(=O)C1 ZINC000587562909 FC Annotated Anodyne CCOC(=O)[C@@H](c1ccc2c(O)nc(O)nc2n1)[C@@H]1CCS(=O)(=O)C1 ZINC000587562910 FC Annotated Anodyne CS(=O)(=O)c1cc2c(nc1O)CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587562940 FC Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587563006 FC Annotated Anodyne COc1ccc(Cc2ccc3c(O)nc(O)nc3n2)cc1S(N)(=O)=O ZINC000587563055 FC Annotated Anodyne COCC(=O)Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587563327 FC Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)c1nc3nc(O)nc(O)c3cc12 ZINC000587564021 FC Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)c1nc3nc(O)nc(O)c3cc12 ZINC000587564037 FC Annotated Anodyne O=S1(=O)CCN([C@@H]2CCCc3cc4c(O)nc(O)nc4nc32)CC1 ZINC000587564072 FC Annotated Anodyne O=S1(=O)CCN([C@H]2CCCc3cc4c(O)nc(O)nc4nc32)CC1 ZINC000587564073 FC Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(O)nc(O)nc2[nH]1 ZINC000587568848 FC Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(O)nc(N)nc2[nH]1 ZINC000587570345 FC Annotated Anodyne O=C1NC(=O)C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)N1 ZINC000587594615 FC Annotated Anodyne O=C1NC(=O)C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)N1 ZINC000587594638 FC Annotated Anodyne O=C1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@H]1O ZINC000587608234 FC Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)C(=O)[C@H](O)C2=O ZINC000587608235 FC Annotated Clean O=C1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)[C@@H]1O ZINC000587608236 FC Annotated Clean O=C1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@@H]1O ZINC000587608237 FC Annotated Clean Cc1cc(Cl)cc2c(N3CCOCC3)c([C@@H](O)[C@H](O)[C@H](O)CO)[nH]c12 ZINC000587627312 FC Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@H](O)c1[nH]c2cc(Cl)c(F)cc2c1N1CCOCC1 ZINC000587631752 FC Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@H](O)c1[nH]c2ccc(F)c(Cl)c2c1N1CCOCC1 ZINC000587632184 FC Annotated Anodyne O=C(Cn1ncn2nccc2c1=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653674 FC Annotated Anodyne O=C(CN1CCS(=O)(=O)CC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654854 FC Annotated Anodyne CS(=O)(=O)N1CCO[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 ZINC000587654936 FC Annotated Anodyne CS(=O)(=O)N1CCO[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 ZINC000587654940 FC Annotated Anodyne Cn1c(=O)c2c(-n3ncc4ccc(Cl)cc4c3=O)ccnc2n(C)c1=O ZINC000587655021 FC Annotated Anodyne N=c1nn[nH]n1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660446 FC Annotated Anodyne CCOC(=O)Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587779233 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(=O)NC(=O)NC2=O ZINC000587790477 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(=O)NC(=O)NC2=O ZINC000587790481 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(=O)NC(=O)NC2=O ZINC000587799023 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(=O)NC(=O)NC2=O ZINC000587799024 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587829744 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587829770 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587829772 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587829774 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587829778 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587829783 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587829787 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587829791 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587829793 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587829797 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587829799 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587829801 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587830716 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587830717 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587830718 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587830719 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587830720 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587830722 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587830723 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587830724 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587830725 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587830726 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587830728 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587830729 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C(=O)[C@H](O)C2=O ZINC000587830900 FC Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C(=O)[C@@H](O)C2=O ZINC000587830901 FC Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(=O)[C@@H](O)C2=O ZINC000587830902 FC Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(=O)[C@H](O)C2=O ZINC000587830903 FC Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(=O)C(=O)[C@@H]2O ZINC000587830952 FC Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(=O)C(=O)[C@H]2O ZINC000587830953 FC Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C(=O)C(=O)[C@@H]2O ZINC000587830954 FC Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C(=O)C(=O)[C@H]2O ZINC000587830955 FC Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@@H](O)CO)N1 ZINC000587831940 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@@H](O)CO)N1 ZINC000587831968 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@@H](O)CO)N1 ZINC000587831970 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@@H](O)CO)N1 ZINC000587831972 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@@H](O)CO)N1 ZINC000587832654 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@@H](O)CO)N1 ZINC000587832655 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)[C@@H](O)CO)N1 ZINC000587832656 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)[C@@H](O)CO)N1 ZINC000587832657 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834143 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834260 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834261 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834263 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834264 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834266 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834268 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834270 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587834271 FC Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587834272 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587834273 FC Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587834274 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C(=O)[C@H](O)C2=O ZINC000587834844 FC Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C(=O)[C@@H](O)C2=O ZINC000587834846 FC Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(=O)[C@@H](O)C2=O ZINC000587834848 FC Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(=O)[C@H](O)C2=O ZINC000587834851 FC Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587834885 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834886 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834888 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587834890 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834891 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834893 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834895 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587834896 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587834898 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834900 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834901 FC Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587834903 FC Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(=O)C(=O)[C@@H]2O ZINC000587835729 FC Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(=O)C(=O)[C@H]2O ZINC000587835730 FC Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C(=O)C(=O)[C@@H]2O ZINC000587835731 FC Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C(=O)C(=O)[C@H]2O ZINC000587835732 FC Annotated Clean COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1[nH]nnc1=N ZINC000587869819 FC Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587925323 FC Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587927255 FC Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587927256 FC Annotated Anodyne O=C1Cc2c3c(n(-c4c[nH]cc(Br)c4=O)c2O1)OC(=O)C3 ZINC000587941815 FC Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1c[nH]cc(Br)c1=O)C(=O)O ZINC000587942392 FC Annotated Anodyne O=C(O)/C=C/C=C\c1nc2cc(C(=O)N3CCN(CCO)CC3)ccc2[nH]1 ZINC000587967450 FC Annotated Anodyne O=C(O)/C=C/C=C/c1nc2cc(C(=O)N3CCN(CCO)CC3)ccc2[nH]1 ZINC000587967457 FC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 ZINC000587969871 FC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 ZINC000587969875 FC Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c12 ZINC000587969877 FC Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000587970222 FC Annotated Anodyne CC1=C(c2ccc3nc(C4[C@H](C(=O)O)[C@H]4C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000587970223 FC Annotated Anodyne CC1=C(c2ccc3nc([C@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000587970224 FC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1 ZINC000587970396 FC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2c1 ZINC000587970397 FC Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c1 ZINC000587970398 FC Annotated Anodyne O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@H](CCO)[C@H](O)O1 ZINC000059066930 FC Annotated Clean in-vitro O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H](CCO)[C@H](O)O1 ZINC000059066935 FC Annotated Clean in-vitro O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@H](CCO)[C@@H](O)O1 ZINC000059066939 FC Annotated Clean in-vitro O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@@H](CCO)[C@@H](O)O1 ZINC000059066942 FC Annotated Clean in-vitro CC1(C)CCC[C@@]2(C)[C@@H]3C(=O)[C@H](O)[C@@H]4[C@@H](O)[C@]3(C(=O)[C@@]43CO3)[C@H](O)C[C@H]12 ZINC000059086047 FC Annotated Anodyne C[C@H](Cn1nccn1)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000059185772 FC Annotated Bother C[C@H](Cn1ccnn1)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000059185774 FC Annotated Bother C[C@H](Cn1cncn1)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000059185848 FC Annotated Bother C[C@H](Cn1cnnn1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000059191114 FC Annotated Bother C/C=C\C#CC#CCCCO[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1O ZINC000059587878 FC Annotated Mild in-vitro biogenic C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23 ZINC000059720984 FC Annotated Anodyne O=C1NCCN(Cc2ccoc2)[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000059830220 FC Annotated Anodyne O=C1NCCN(Cc2ccoc2)[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000059830223 FC Annotated Anodyne COc1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)ccc1-n1cnnn1 ZINC000059938742 FC Annotated Anodyne CCOC1(OCC)N=C(N)[C@]2(C#N)[C@]3(C(=O)N(C(C)C)N=C3C)[C@]12C#N ZINC000006002741 FC Annotated Anodyne COC(=O)[C@@H](O)[C@]1(C(=O)OC)[C@@H]2O[C@@H](OC)[C@@H]1CCCCCC[C@H]2O ZINC000006002910 FC Annotated Anodyne C#CCn1c(=O)c(Cl)cn(/C(=C/C(=O)OCC)C(=O)OCC)c1=O ZINC000006009830 FC Annotated Mild O=c1[nH]c(O)nc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(nc(O)[nH]c1=O)O2 ZINC000006009952 FC Annotated Bother CCOC(=S)NCc1ccc(O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC000006019171 FC Annotated Anodyne in-man metabolite CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC000006019173 FC Annotated Anodyne in-man metabolite O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@@H](O)[C@H](O)C3=O ZINC000006092275 FC Annotated Mild O=C1CC[C@@]2(O)c3ccc(O)c4c3[C@H](c3ccc(O)c1c32)[C@@H](O)[C@H](O)C4=O ZINC000006092294 FC Annotated Anodyne Cc1ccc(-n2c(O)c(/C=N/CCN3CCOCC3)c(=O)[nH]c2=O)cc1 ZINC000006131668 FC Annotated Mild CCOC(=S)NCc1ccc(O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000006385456 FC Annotated Anodyne in-man CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000006385458 FC Annotated Anodyne in-man COC(=O)[C@@H](O)[C@@]1(C(=O)OC)[C@H]2CCCCCC[C@@H](O)[C@@H]1O[C@H]2OC ZINC000006403213 FC Annotated Anodyne CCn1c(SCC(=O)NNC(=S)NC)nc2ccccc2c1=O ZINC000006425745 FC Annotated Reactive CC(C)[C@@H]1NC(=O)[C@@H]2N=C(O[C@H]2C)[C@H](C(C)C)NC(=O)[C@H]2N=C1O[C@H]2C ZINC000006481973 FC Annotated Anodyne CO[C@@]12C[C@@H](CNC(=O)c3cc(Br)c[nH]3)O[C@@H]1NC(=O)N2 ZINC000006483250 FC Annotated Anodyne CO[C@]12C[C@@H](CNC(=O)c3cc(Br)c[nH]3)O[C@H]1NC(=O)N2 ZINC000006483328 FC Annotated Anodyne C[C@@]1(Br)C(=O)NC(=O)N([C@H]2C[C@H](F)[C@@H](CO)O2)[C@H]1N=[N+]=[N-] ZINC000006491154 FC Annotated Clean C[C@@]1(Br)C(=O)NC(=O)N([C@H]2C[C@H](F)[C@@H](CO)O2)[C@@H]1N=[N+]=[N-] ZINC000006491179 FC Annotated Clean C[C@]1(Br)C(=O)NC(=O)N([C@H]2C[C@H](F)[C@@H](CO)O2)[C@H]1N=[N+]=[N-] ZINC000006499828 FC Annotated Clean C[C@]1(Br)C(=O)NC(=O)N([C@H]2C[C@H](F)[C@@H](CO)O2)[C@@H]1N=[N+]=[N-] ZINC000006499866 FC Annotated Clean CN(CCCl)[P@]1(=O)OCC[C@@H](OO)N1CCOS(C)(=O)=O ZINC000060132398 FC Annotated Reactive CN(CCCl)[P@@]1(=O)OCC[C@@H](OO)N1CCOS(C)(=O)=O ZINC000060132401 FC Annotated Reactive Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCn2cccn2)o1 ZINC000060230115 FC Annotated Anodyne Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2cccn2)o1 ZINC000060230122 FC Annotated Anodyne C[C@H](/C=C/[C@H]1[C@H](C)C[C@H](O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000060289745 FC Annotated Anodyne C/C=C1\C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000060322025 FC Annotated Anodyne Cc1cnc(CNC(=O)c2csc([C@H]3C[C@H](O)[C@@H](CO)O3)n2)cn1 ZINC000061896816 FC Annotated Anodyne CCCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H](O)[C@@H](CO)O2)c1 ZINC000061897046 FC Annotated Anodyne Cc1cnc(CNC(=O)c2csc([C@@H]3C[C@H](O)[C@@H](CO)O3)n2)cn1 ZINC000061897437 FC Annotated Anodyne Cc1nnsc1C(=O)N1CCC[C@@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061902769 FC Annotated Anodyne Cc1nnsc1C(=O)N1CCC[C@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061902770 FC Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2snnc2C)C1 ZINC000061903755 FC Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2snnc2C)C1 ZINC000061903756 FC Annotated Anodyne O=C(Nc1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000061904521 FC Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2c(C)noc2C)C1 ZINC000061904900 FC Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2c(C)noc2C)C1 ZINC000061904901 FC Annotated Anodyne COc1ccc(C(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061904939 FC Annotated Anodyne O=C(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000061905626 FC Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2nc(C)oc2C)C1 ZINC000061906466 FC Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2nc(C)oc2C)C1 ZINC000061906467 FC Annotated Anodyne COCCN1C[C@@H](CO)O[C@@H](n2cnc3c(N(C)C(C)C)ncnc32)C1 ZINC000061907470 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)OC)O[C@H](CO)[C@@H]1O2 ZINC000061921577 FC Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NS(C)(=O)=O)ccc3O[C@H]2[C@H](CO)O1 ZINC000061921582 FC Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N(C)CCO)cc1 ZINC000061921633 FC Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](C)CO)cc1 ZINC000061921635 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)OC)O[C@@H](CO)[C@@H]1O2 ZINC000061921789 FC Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@H](C)CO)cc1 ZINC000061921813 FC Annotated Anodyne CN(C)CCN(C)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)C1 ZINC000061923700 FC Annotated Bother CN(C)CCN(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)C1 ZINC000061923701 FC Annotated Bother CN[C@H]1C[C@H]2c3cc(N4CCN(C)CC4)ccc3CCN2C(=O)[C@H]1[C@H](C)O ZINC000061923981 FC Annotated Anodyne Cc1nc(C(=O)N2CC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)c(C)o1 ZINC000061925509 FC Annotated Anodyne Cc1nc(C(=O)N2CC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)c(C)o1 ZINC000061925510 FC Annotated Anodyne CCN(CC)c1ncnc2c1ncn2[C@H]1CN(CCOC)C[C@@H](CO)O1 ZINC000061925697 FC Annotated Anodyne CCC/N=C1\N(CC)C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N12 ZINC000061942215 FC Annotated Mild CC[C@]1(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCC3CC3)N21 ZINC000061944637 FC Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCC3CC3)N21 ZINC000061944674 FC Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)OCc2cnnn2CCCC1=O ZINC000061946337 FC Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C ZINC000061946353 FC Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C ZINC000061946372 FC Annotated Anodyne COC(=O)[C@H](CC(C)C)NC(=O)Cn1cnc2c(SC)nc(N)nc21 ZINC000061947335 FC Annotated Anodyne CSc1nc(N)nc2c1ncn2CC(=O)NCCCN1CCCC1=O ZINC000061947342 FC Annotated Anodyne NCCN1CCN2C(=O)CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]12 ZINC000061947645 FC Annotated Bother NCCN1CCN2C(=O)CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]12 ZINC000061947647 FC Annotated Bother O=C(C[C@H]1C/C=C\CCCC(=O)OC[C@H]2CCCN2C1=O)NCCO ZINC000061948414 FC Annotated Anodyne O=C(C[C@@H]1C/C=C\CCCC(=O)OC[C@@H]2CCCN2C1=O)NCCO ZINC000061948424 FC Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C1=O)N2C(=O)c1ccccc1 ZINC000061949137 FC Annotated Anodyne CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@@H]31)N2C(=O)c1ccc(F)cc1 ZINC000061949159 FC Annotated Anodyne CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@@H]31)N2C(=O)c1ccc(C)cc1 ZINC000061949164 FC Annotated Anodyne CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@@H]31)N2C(=O)c1ccccc1 ZINC000061949166 FC Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(F)cc1 ZINC000061949192 FC Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(C)cc1 ZINC000061949195 FC Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccccc1 ZINC000061949198 FC Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(F)cc1 ZINC000061949224 FC Annotated Anodyne Cc1ccc(C(=O)N2[C@@H]3CN(C)C(=O)[C@@]2(C)[C@H]2C(=O)N(C)C(=O)[C@@H]32)cc1 ZINC000061949228 FC Annotated Anodyne O=C(NS(=O)(=O)NC1CCCCC1)C1=C(N2CCCC2)COC1=O ZINC000061949585 FC Annotated Anodyne O=C(NS(=O)(=O)Nc1ccccc1)C1=C(N2CCCC2)COC1=O ZINC000061949592 FC Annotated Anodyne COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1nccnc1N ZINC000618008154 FC Annotated Reactive O=C1N[C@H](CN2CCNC(=O)[C@@H]2c2cccs2)N[C@@H]2CCS[C@@H]12 ZINC000618012028 FC Annotated Anodyne O=C1N[C@H](CN2CCNC(=O)[C@@H]2c2cccs2)N[C@H]2CCS[C@H]12 ZINC000618012046 FC Annotated Anodyne O=C1N[C@H](CN2CCNC(=O)[C@@H]2c2cccs2)N[C@@H]2CCS[C@H]12 ZINC000618012053 FC Annotated Anodyne O=C1N[C@H](CN2CCNC(=O)[C@@H]2c2cccs2)N[C@H]2CCS[C@@H]12 ZINC000618012055 FC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1cccnc1 ZINC000618012360 FC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCc1cccnc1 ZINC000618012363 FC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCc1cccnc1 ZINC000618012364 FC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1cccnc1 ZINC000618012365 FC Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](c1cscn1)N2CCOC ZINC000618013167 FC Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](c1cscn1)N2CCOC ZINC000618013172 FC Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](c1cscn1)N2CCOC ZINC000618013173 FC Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](c1cscn1)N2CCOC ZINC000618013175 FC Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2CC[C@@H](C(=O)NCc3ccn(C4CCCC4)n3)N[C@H]21 ZINC000618013219 FC Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2CC[C@H](C(=O)NCc3ccn(C4CCCC4)n3)N[C@H]21 ZINC000618013220 FC Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2CC[C@@H](C(=O)NCc3ccn(C4CCCC4)n3)N[C@@H]21 ZINC000618013221 FC Annotated Anodyne CN1C(=O)NC(=O)[C@@H]2CC[C@H](C(=O)NCc3ccn(C4CCCC4)n3)N[C@@H]21 ZINC000618013223 FC Annotated Anodyne CN(CC(=O)NC(C)(C)C)C[C@@H]1NC(=O)[C@H]2[C@@H]3CCC[C@H]3S[C@H]2N1 ZINC000618013266 FC Annotated Anodyne CN(CC(=O)NC(C)(C)C)C[C@@H]1NC(=O)[C@@H]2[C@H](N1)S[C@H]1CCC[C@@H]12 ZINC000618013271 FC Annotated Anodyne CN(CC(=O)NC(C)(C)C)C[C@@H]1NC(=O)[C@@H]2[C@H](N1)S[C@@H]1CCC[C@@H]12 ZINC000618013272 FC Annotated Anodyne CN(CC(=O)NC(C)(C)C)C[C@@H]1NC(=O)[C@H]2[C@@H]3CCC[C@@H]3S[C@H]2N1 ZINC000618013273 FC Annotated Anodyne CCOCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@@H]1n1nc(CC)cc1CC ZINC000618013411 FC Annotated Anodyne CCOCCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@@H]1n1nc(CC)cc1CC ZINC000618013417 FC Annotated Anodyne CCOCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1n1nc(CC)cc1CC ZINC000618013418 FC Annotated Anodyne CCOCCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1n1nc(CC)cc1CC ZINC000618013420 FC Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](CCC(=O)NO)N2CC(C)C ZINC000618014366 FC Annotated Bother CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](CCC(=O)NO)N2CC(C)C ZINC000618014383 FC Annotated Bother CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](CCC(=O)NO)N2CC(C)C ZINC000618014386 FC Annotated Bother CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](CCC(=O)NO)N2CC(C)C ZINC000618014387 FC Annotated Bother CSC[C@@H]1NC(=O)[C@@H]2[C@H](N1)S[C@H](C(=O)N=c1cc[nH]cc1)[C@@H]2C ZINC000618014472 FC Annotated Anodyne CSC[C@@H]1NC(=O)[C@@H]2[C@H](N1)S[C@@H](C(=O)N=c1cc[nH]cc1)[C@@H]2C ZINC000618014478 FC Annotated Anodyne CSC[C@@H]1NC(=O)[C@H]2[C@H](C)[C@@H](C(=O)N=c3cc[nH]cc3)S[C@H]2N1 ZINC000618014480 FC Annotated Anodyne CSC[C@@H]1NC(=O)[C@H]2[C@H](C)[C@H](C(=O)N=c3cc[nH]cc3)S[C@H]2N1 ZINC000618014481 FC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1ccccn1 ZINC000618014703 FC Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCc1ccccn1 ZINC000618014704 FC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCc1ccccn1 ZINC000618014705 FC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1ccccn1 ZINC000618014706 FC Annotated Anodyne C[C@@H]1O[C@@H]2NCNC(=O)[C@H]2[C@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000618014893 FC Annotated Anodyne C[C@@H]1O[C@@H]2NCNC(=O)[C@@H]2[C@@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000618014894 FC Annotated Anodyne C[C@@H]1O[C@@H]2NCNC(=O)[C@H]2[C@@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000618014895 FC Annotated Anodyne C[C@@H]1O[C@@H]2NCNC(=O)[C@@H]2[C@H]1C(=O)N(C)Cc1nc2ccccc2s1 ZINC000618014896 FC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000618014970 FC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000618014971 FC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000618014972 FC Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000618014973 FC Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](CNCc1ccccn1)N2CCC ZINC000618015442 FC Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](CNCc1ccccn1)N2CCC ZINC000618015443 FC Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](CNCc1ccccn1)N2CCC ZINC000618015444 FC Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@H](CNCc1ccccn1)N2CCC ZINC000618015445 FC Annotated Anodyne CC(=O)CS[C@@H]1N[C@H]2[C@H](C(=O)NC(=O)N2C)N1Cc1cccc(C)c1 ZINC000618016094 FC Annotated Anodyne CC(=O)CS[C@@H]1N[C@@H]2[C@@H](C(=O)NC(=O)N2C)N1Cc1cccc(C)c1 ZINC000618016095 FC Annotated Anodyne CC(=O)CS[C@@H]1N[C@H]2[C@@H](C(=O)NC(=O)N2C)N1Cc1cccc(C)c1 ZINC000618016096 FC Annotated Anodyne CC(=O)CS[C@@H]1N[C@@H]2[C@H](C(=O)NC(=O)N2C)N1Cc1cccc(C)c1 ZINC000618016097 FC Annotated Anodyne CCCCN[C@@H]1N[C@H]2[C@H](C(=O)NC(=O)N2C)N1CC(=O)c1ccc(C)cc1 ZINC000618016449 FC Annotated Anodyne CCCCN[C@@H]1N[C@H]2[C@@H](C(=O)NC(=O)N2C)N1CC(=O)c1ccc(C)cc1 ZINC000618016450 FC Annotated Anodyne CCCCN[C@@H]1N[C@@H]2[C@H](C(=O)NC(=O)N2C)N1CC(=O)c1ccc(C)cc1 ZINC000618016451 FC Annotated Anodyne CCCCN[C@@H]1N[C@@H]2[C@@H](C(=O)NC(=O)N2C)N1CC(=O)c1ccc(C)cc1 ZINC000618016453 FC Annotated Anodyne Cc1ccccc1[C@@H]1CS[C@@H]2C(=O)N[C@H](N3CCC[C@H](C(N)=O)C3)N[C@H]21 ZINC000618016542 FC Annotated Anodyne Cc1ccccc1[C@@H]1CS[C@@H]2C(=O)N[C@H](N3CCC[C@@H](C(N)=O)C3)N[C@@H]21 ZINC000618016549 FC Annotated Anodyne Cc1ccccc1[C@@H]1CS[C@@H]2C(=O)N[C@H](N3CCC[C@@H](C(N)=O)C3)N[C@H]21 ZINC000618016550 FC Annotated Anodyne Cc1ccccc1[C@@H]1CS[C@@H]2C(=O)N[C@H](N3CCC[C@H](C(N)=O)C3)N[C@@H]21 ZINC000618016551 FC Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCOCC3)no2)CC1 ZINC000618020203 FC Annotated Anodyne CSCCCCCC/C(=N\O)S[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1CO ZINC000062235806 FC Annotated Mild in-vitro CSCCCCCC/C(=N\O)S[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1CO ZINC000062235813 FC Annotated Mild in-vitro Cc1ccccc1-n1c(C)cn2c3c(=O)n(CCO)c(=O)n(C)c3nc12 ZINC000621431363 FC Annotated Anodyne O=C1N[C@@]2(CCc3ccccc3C2)C(=O)N1CN1CCN(CCO)CC1 ZINC000064251982 FC Annotated Anodyne O=C1N[C@]2(CCc3ccccc3C2)C(=O)N1CN1CCN(CCO)CC1 ZINC000064251984 FC Annotated Anodyne CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccccc2Cl)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064447348 FC Annotated Mild CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccc(C)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064447560 FC Annotated Mild CC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064447684 FC Annotated Mild CC[C@H]1O[C@@H](NC(=S)N/N=C/c2cccc(Cl)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000064454497 FC Annotated Mild CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(CNC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O ZINC000064503673 FC Annotated Anodyne Cc1ccc(S(=O)(=O)n2c3c([nH]c2=O)C(C(N)=O)=NC(C)(C)N3)cc1 ZINC000064504087 FC Annotated Anodyne CC(=O)N[C@@H]1[C@H](O[C@H](C)C(=O)Nc2ccccc2)[C@H](O)[C@H]2CO[C@@H]1O2 ZINC000064527917 FC Annotated Anodyne O=P(O)(O)C(F)(Cc1cncc(-c2cn[nH]c2)c1)P(=O)(O)O ZINC000064548618 FC Annotated Anodyne C[C@@H]1O[C@@H](Oc2cc3c4c(c2O)C(=O)CC[C@@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064549968 FC Annotated Anodyne C[C@@H]1O[C@@H](Oc2cc3c4c(c2O)C(=O)CC[C@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064549969 FC Annotated Anodyne O=C1CNC(=O)CNC(=O)[C@@H]([C@@H](Nc2ccccc2)c2ccccc2)CN1 ZINC000064559976 FC Annotated Anodyne O=C1CNC(=O)CNC(=O)[C@@H]([C@@H](Nc2ccccc2)c2ccco2)CN1 ZINC000064573219 FC Annotated Anodyne C/C=C1\C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23 ZINC000064728626 FC Annotated Anodyne COCCOCCOCC[N+]1(C)CCC[C@@H]1COCCOCCOC ZINC000006519764 FC Annotated Bother COCCOCCOCC[N+]1(C)CCC[C@H]1COCCOCCOC ZINC000006519777 FC Annotated Bother CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)NC2CCCCC2)[C@@H]3C1=O ZINC000006576661 FC Annotated Anodyne O=C(CSCC(=O)N/N=C/c1ccncc1)N/N=C/c1ccncc1 ZINC000006585004 FC Annotated Reactive CCOC(=O)C1CCN(C(=O)Cn2nc(CC)n3cccc3c2=O)CC1 ZINC000006799638 FC Annotated Anodyne CCCNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000006808834 FC Annotated Anodyne O=C(CCc1nnc2ccc(N3CCOCC3)nn12)NCCN1CCCC1 ZINC000006867975 FC Annotated Anodyne COCCNC(=O)c1ccc(CN2CC(=O)N3CCCC[C@@H]3C2=O)cc1 ZINC000006877512 FC Annotated Anodyne COCCNC(=O)c1ccc(CN2CC(=O)N3CCCC[C@H]3C2=O)cc1 ZINC000006877513 FC Annotated Anodyne COC(=O)[C@@]1(OC)c2c(n(C)c3ccccc3c2=O)[C@]1(OC)C(=O)OC ZINC000006922991 FC Annotated Anodyne COC(=O)[C@]1(OC)c2c(c(=O)c3ccccc3n2C)[C@]1(OC)C(=O)OC ZINC000006922993 FC Annotated Anodyne in-vitro biogenic CCN1CCC[C@@H]1CNC(=O)Cn1cnc2c(nc3n2CCCCC3)c1=O ZINC000006936065 FC Annotated Anodyne CCN1CCC[C@H]1CNC(=O)Cn1cnc2c(nc3n2CCCCC3)c1=O ZINC000006936069 FC Annotated Anodyne CN1CCC(O)(CCNC(=O)[C@@]23CNC[C@@H]2CN(C2CCCC2)C3)CC1 ZINC000065370128 FC Annotated Anodyne CS(=O)(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCCCc2ccccc2)C1 ZINC000065375595 FC Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@@H]4C[C@H]4C3)n2)cn1 ZINC000653664354 FC Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4C[C@@H]4C3)n2)cn1 ZINC000653664355 FC Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4C[C@H]4C3)n2)cn1 ZINC000653664356 FC Annotated Anodyne CCCNC(=O)c1c(N)nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c12 ZINC000653667434 FC Annotated Anodyne CC(=O)NNS(=O)(=O)c1ccc2nc(-c3c(N)n[nH]c3C)sc2c1 ZINC000653671227 FC Annotated Reactive Nc1ncc(-c2cc(N3C[C@H]4C[C@H]3CN4)nc(N3CC4CC3C4)n2)cn1 ZINC000653680471 FC Annotated Anodyne CC1(C)CNC2=C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)C(C#N)=C(N)N2C1 ZINC000653687445 FC Annotated Reactive CC1(C)CNC2=C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)C(C#N)=C(N)N2C1 ZINC000653687446 FC Annotated Reactive C=C1C[C@@]23C[C@@H](O)[C@@]4(O)[C@H](C(=C)[C@@H]2CC[C@@H]1[C@H]3O)[C@@H](O)[C@H](O)C4(C)C ZINC000653687473 FC Annotated Mild CC1=C2CC[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 ZINC000653687504 FC Annotated Anodyne Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N2CCCNC2=C1[N+](=O)[O-] ZINC000653689400 FC Annotated Reactive Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N2CCCNC2=C1[N+](=O)[O-] ZINC000653689401 FC Annotated Reactive O=C(NO)[C@@H]1O[C@H](c2ccc(C#CC#Cc3ccccc3)cc2)[C@@H](O)[C@H]1O ZINC000653697081 FC Annotated Mild O=C(NO)[C@@H]1O[C@@H](c2ccc(C#CC#Cc3ccccc3)cc2)[C@@H](O)[C@H]1O ZINC000653697082 FC Annotated Mild O=c1nc(O)c(C#Cc2cc(F)cc(F)c2)cn1CCC(CO)CO ZINC000653697812 FC Annotated Mild OC[C@H]1O[C@@]2(CC(c3cc4ccccc4s3)=NO2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000653698618 FC Annotated Anodyne N#CC1=C(N)N2CCCNC2=C([N+](=O)[O-])[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000653703982 FC Annotated Reactive N#CC1=C(N)N2CCCNC2=C([N+](=O)[O-])[C@]12C(=O)Nc1ccc(F)cc12 ZINC000653703983 FC Annotated Reactive NCCCCCCNC(=O)Nc1cc(N2CCCCC2)nc(N)[n+]1[O-] ZINC000653706351 FC Annotated Anodyne CC(=O)Nc1nnc(N[C@@H]2CCN(c3nnc(NC(C)=O)s3)C2)s1 ZINC000653715028 FC Annotated Anodyne CC(=O)Nc1nnc(N[C@H]2CCN(c3nnc(NC(C)=O)s3)C2)s1 ZINC000653715031 FC Annotated Anodyne CN1C(=O)c2ccc(Br)n2[C@@H]2C[C@]3(O)[C@@H](NC(=O)N3C)[C@@H]21 ZINC000653721521 FC Annotated Anodyne CN(CC(=O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C(=N)N ZINC000653722053 FC Annotated Anodyne C[C@H](NC(=N)N)C(=O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000653722059 FC Annotated Anodyne Cc1cc2n(c1Br)[C@@H]1C[C@]3(O)[C@@H](NC(=O)N3C)[C@@H]1NC2=O ZINC000653728733 FC Annotated Anodyne Cc1c(C)c2n(c1Br)[C@@H]1C[C@]3(O)[C@@H](NC(=O)N3C)[C@@H]1NC2=O ZINC000653735997 FC Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(CC2CCNCC2)C3=O)n1 ZINC000653747919 FC Annotated Anodyne O=S1(=O)CCN(CC#Cc2ccc3nnc(-c4cscn4)n3c2)CC1 ZINC000653756199 FC Annotated Mild N=C(N)Nc1ccc(CNc2cnc3cc(C(=O)NCCO)ccn23)cc1 ZINC000653780372 FC Annotated Anodyne COc1ccc(Cn2cc(C(=O)NCCN)nn2)cc1Br ZINC000653788023 FC Annotated Anodyne COc1ccc(CCn2cc(C(=O)NCCN)nn2)cc1Br ZINC000653788046 FC Annotated Anodyne C=C1[C@@H]2CC[C@H]3C(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 ZINC000653796633 FC Annotated Mild O=C(Cc1ccc(F)c(F)c1)Nc1cnc(C(=O)NO)c(O)c1CO ZINC000653796649 FC Annotated Anodyne C=C1[C@H]2[C@H](O)[C@H](O)C(C)(C)[C@@]2(O)[C@H](O)C[C@@]23C[C@@H](CC[C@@H]12)[C@](C)(O)C3 ZINC000653796702 FC Annotated Mild COCCNS(=O)(=O)c1ccc(N/N=C/c2ccc(O)c(O)c2)nc1 ZINC000653797977 FC Annotated Mild CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CCn1cc(C)c(O)nc1=O ZINC000653798245 FC Annotated Reactive CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CCn1cc(C)c(O)nc1=O ZINC000653798246 FC Annotated Reactive O=C(NO)c1ncc(CS(=O)(=O)c2ccc(F)cc2)c(CO)c1O ZINC000653801590 FC Annotated Anodyne O=C(Cc1ccc2c(c1)OCO2)Nc1cnc(C(=O)NO)c(O)c1CO ZINC000653803331 FC Annotated Anodyne O=C(Cc1cc(F)cc(F)c1)Nc1cnc(C(=O)NO)c(O)c1CO ZINC000653805785 FC Annotated Anodyne C[C@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O ZINC000653861804 FC 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(=O)O ZINC000653913890 FC 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(=O)O ZINC000653913891 FC Annotated Anodyne COC(=O)[C@H](CS[C@@H]1[C@@H](C)C[C@H]2CC[C@H]3OC(=O)[C@H]1[C@@]23O)NC(C)=O ZINC000653913904 FC Annotated Anodyne COC(=O)[C@H](CS[C@@H]1[C@@H](C)C[C@H]2CC[C@H]3OC(=O)[C@@H]1[C@@]23O)NC(C)=O ZINC000653913905 FC Annotated Anodyne Nc1nccnc1C(=O)NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000653918432 FC Annotated Bother CN1CCN(C2CCC(CNC(=O)[C@@H]3CC[C@H]([N+](=O)[O-])O3)CC2)CC1 ZINC000066058918 FC Annotated Bother CN1CCN(C2CCC(CNC(=O)[C@H]3CC[C@H]([N+](=O)[O-])O3)CC2)CC1 ZINC000066058919 FC Annotated Bother CN1CCN(C2CCC(CNC(=O)[C@@H]3CC[C@@H]([N+](=O)[O-])O3)CC2)CC1 ZINC000066058920 FC Annotated Bother CN1CCN(C2CCC(CNC(=O)[C@H]3CC[C@@H]([N+](=O)[O-])O3)CC2)CC1 ZINC000066058921 FC Annotated Bother C[C@H](Cl)C(=O)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34 ZINC000066065992 FC Annotated Reactive C[C@@H](Cl)C(=O)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34 ZINC000066065993 FC Annotated Reactive C[C@H](Cl)C(=O)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34 ZINC000066065994 FC Annotated Reactive C[C@@H](Cl)C(=O)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34 ZINC000066065995 FC Annotated Reactive CCOC(=O)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34 ZINC000066066000 FC Annotated Anodyne CCOC(=O)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34 ZINC000066066001 FC Annotated Anodyne O=C(CCl)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34 ZINC000066075909 FC Annotated Reactive O=C(CCl)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1O)[C@@H]34 ZINC000066075911 FC Annotated Reactive O=C(CCl)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34 ZINC000066075912 FC Annotated Reactive O=C(CCl)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34 ZINC000066075914 FC Annotated Reactive CONC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(F)cc21 ZINC000066077105 FC Annotated Mild CONC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(C)cc21 ZINC000066077771 FC Annotated Mild CCCCC(=O)Nc1nc(N2CCOCC2)c2ncn(CC(=O)O)c2n1 ZINC000066077773 FC Annotated Anodyne N[C@H]1CN(c2cc(N3CCC(F)(F)C3)ncn2)C[C@@H]1N1CCCCC1=O ZINC000066079310 FC Annotated Anodyne N[C@H]1CN(c2ncnc(N3CCC(F)(F)C3)n2)C[C@@H]1N1CCCCC1=O ZINC000066079312 FC Annotated Anodyne O=C1/C(=N\NC(=S)NO)c2cc(F)ccc2N1CN1CCOCC1 ZINC000066079663 FC Annotated Mild N[C@H]1CN(c2cc(N3CCc4nocc4C3)ncn2)C[C@@H]1N1CCCC1=O ZINC000066080459 FC Annotated Anodyne COC(=O)[C@H](CCC(N)=O)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C ZINC000066100498 FC Annotated Anodyne O=C1/C(=N\NC(=S)NO)c2cc(Cl)ccc2N1CN1CCOCC1 ZINC000066100537 FC Annotated Mild CO[C@@]12OC(=O)C(CO)=C1C[C@H]1[C@H](COC(C)=O)[C@H]3C[C@H]3[C@]1(C)[C@@H]2O ZINC000066112951 FC Annotated Anodyne Cc1ccc(COP(=O)(O)O)c(/C=N/[C@@H](CC(=O)O)C(=O)O)c1O ZINC000066166906 FC Annotated Mild COCC(=O)N1C[C@H]2CNC[C@@]2(C(=O)NCc2cccc3[nH]ccc23)C1 ZINC000067842082 FC Annotated Anodyne COc1ccccc1OCc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n[nH]1 ZINC000067856772 FC Annotated Anodyne COCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O ZINC000067902530 FC Annotated Anodyne COCC1=C2/C(=C\[C@]3(C)CC[C@@](O)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O ZINC000067902535 FC Annotated Anodyne CNC(=O)c1[nH]nc2c1CN(c1cc([C@@H]3CCCNC3)nc(C)n1)CC2 ZINC000067982377 FC Annotated Anodyne CNC(=O)c1[nH]nc2c1CN(c1cc([C@H]3CCCNC3)nc(C)n1)CC2 ZINC000067982379 FC Annotated Anodyne N#Cc1cn(-c2c[nH]n(-c3cc(N4CCCOCC4)ncn3)c2=O)cn1 ZINC000068150818 FC Annotated Mild CC1(C)CN(CCS(=O)(=O)CCCS(=O)(=O)O)C(=O)N1Cl ZINC000069061726 FC Annotated Anodyne C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2CN[C@H](CC(N)=O)C(=O)O)[C@H]2C(=C)CC[C@@H]12 ZINC000070450983 FC Annotated Mild in-vitro biogenic C[C@H](/C=C/[C@H]1[C@H](C)C[C@H](O)CC1(C)C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000070455047 FC Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@H](O)CC(C)(C)[C@H]1CC[C@@H](CO)O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000070455055 FC Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@@H]2[C@@H]3[C@@H](CC[C@@]3(O)CO)C(C=O)=C[C@@H](OC(=O)C(C)C)[C@@H]12 ZINC000070455247 FC Annotated Reactive in-vitro biogenic COc1cc(O)c([C@@H](CO)[C@H](O)CO)c2oc(=O)c3c(c12)CCC3=O ZINC000070647050 FC Annotated Anodyne in-vitro COc1cc(O)c([C@H](CO)[C@H](O)CO)c2oc(=O)c3c(c12)CCC3=O ZINC000070647051 FC Annotated Anodyne in-vitro COc1cc(O)c([C@@H](CO)[C@@H](O)CO)c2oc(=O)c3c(c12)CCC3=O ZINC000070647052 FC Annotated Anodyne in-vitro COc1cc(O)c([C@H](CO)[C@@H](O)CO)c2oc(=O)c3c(c12)CCC3=O ZINC000070647053 FC Annotated Anodyne in-vitro Cc1cc(C(=O)NCCc2nc(C(=O)NCCN(C)C)cs2)no1 ZINC000070725338 FC Annotated Anodyne Cc1nccn1-c1nccc(N2CCC(CCNS(N)(=O)=O)CC2)n1 ZINC000071280797 FC Annotated Anodyne CC(C)[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 ZINC000071318021 FC Annotated Anodyne in-vitro CS(=O)(=O)Nn1c(=O)[nH]c2cc(CCc3ccccc3)ccc2c1=O ZINC000071331993 FC Annotated Anodyne CS(=O)(=O)Nn1c(O)nc2cc(Cl)c(-n3ccnc3)cc2c1=O ZINC000071332445 FC Annotated Anodyne Cn1cnc(S(=O)(=O)Nn2c(O)nc3cc(Cl)ccc3c2=O)c1 ZINC000071340389 FC Annotated Anodyne CN(C)CCc1cn(CCNCCO)c2c1C(=O)c1ccncc1C2=O ZINC000071341665 FC Annotated Clean O=C1CC[C@H](O)[C@]23O[C@]12C1(Oc2cccc4cccc(c24)O1)[C@@H]1O[C@@H]1[C@@H]3O ZINC000071745105 FC Annotated Anodyne CCCS(=O)(=O)c1ncc(CN2CCNC(=O)C2)n1C[C@@H]1CCCO1 ZINC000071932712 FC Annotated Anodyne CCCS(=O)(=O)c1ncc(CN2CCNC(=O)C2)n1C[C@H]1CCCO1 ZINC000071932713 FC Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2 ZINC000072109708 FC Annotated Anodyne O=C1c2cc3nnn(CCn4cccn4)c(=O)c3cc2O[C@H]2CCCN12 ZINC000072127936 FC Annotated Anodyne O=C1c2cc3nnn(CCn4cccn4)c(=O)c3cc2O[C@@H]2CCCN12 ZINC000072127937 FC Annotated Anodyne C[C@H](Cn1ncnn1)n1cnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O ZINC000072127945 FC Annotated Anodyne C[C@H](Cn1ncnn1)n1cnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O ZINC000072127946 FC Annotated Anodyne CCCCN1C[C@H](N2CCN(C3CCN(C)CC3)CC2)CS1(=O)=O ZINC000072134822 FC Annotated Anodyne CCCCN1C[C@@H](N2CCN(C3CCN(C)CC3)CC2)CS1(=O)=O ZINC000072134823 FC Annotated Anodyne Cc1ccc(CN2C[C@H](N3CCN(CCO)CC3)CS2(=O)=O)cc1 ZINC000072136024 FC Annotated Anodyne Cc1ccc(CN2C[C@@H](N3CCN(CCO)CC3)CS2(=O)=O)cc1 ZINC000072136025 FC Annotated Anodyne CCCCN1C[C@H](N2CCN(C(=O)c3ccco3)CC2)CS1(=O)=O ZINC000072136374 FC Annotated Anodyne CCCCN1C[C@@H](N2CCN(C(=O)c3ccco3)CC2)CS1(=O)=O ZINC000072136375 FC Annotated Anodyne COC[C@@H]1CCCN1[C@@H]1CS(=O)(=O)N[C@@H]1COCc1ccccc1 ZINC000072137771 FC Annotated Anodyne COC[C@H]1CCCN1[C@@H]1CS(=O)(=O)N[C@@H]1COCc1ccccc1 ZINC000072137772 FC Annotated Anodyne CN(C)[C@@H]1CCN([C@@H]2CS(=O)(=O)N[C@@H]2COCc2ccccc2)C1 ZINC000072137860 FC Annotated Anodyne CN(C)[C@H]1CCN([C@@H]2CS(=O)(=O)N[C@@H]2COCc2ccccc2)C1 ZINC000072137861 FC Annotated Anodyne COC[C@H]1CCCN1[C@@H]1CS(=O)(=O)N[C@H]1COCc1ccccc1 ZINC000072138646 FC Annotated Anodyne CN(C)CCN1CCN([C@@H]2CN(Cc3ccccc3)S(=O)(=O)C2)CC1 ZINC000072141033 FC Annotated Anodyne CN(C)CCN1CCN([C@H]2CN(Cc3ccccc3)S(=O)(=O)C2)CC1 ZINC000072141034 FC Annotated Anodyne CN1C(=O)[C@@]2(CCCN(C(=O)c3ccc(=O)n(C)n3)C2)c2ccccc21 ZINC000072162664 FC Annotated Anodyne CN1C(=O)[C@]2(CCCN(C(=O)c3ccc(=O)n(C)n3)C2)c2ccccc21 ZINC000072162665 FC Annotated Anodyne C[S@@](=O)CCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072174762 FC Annotated Anodyne C[S@](=O)CCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072174763 FC Annotated Anodyne C[S@@](=O)CCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072174764 FC Annotated Anodyne C[S@](=O)CCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072174765 FC Annotated Anodyne CS(=O)(=O)CCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072174766 FC Annotated Anodyne CS(=O)(=O)CCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072174767 FC Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1ccnn1)C(=O)N1CCC[C@H]1O3 ZINC000072175215 FC Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1ccnn1)C(=O)N1CCC[C@@H]1O3 ZINC000072175216 FC Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1nccn1)C(=O)N1CCC[C@H]1O3 ZINC000072175254 FC Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1nccn1)C(=O)N1CCC[C@@H]1O3 ZINC000072175255 FC Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1cncn1)C(=O)N1CCC[C@H]1O3 ZINC000072175331 FC Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1cncn1)C(=O)N1CCC[C@@H]1O3 ZINC000072175332 FC Annotated Anodyne O=C1CCCC(=O)N1CN1C(=O)CC[C@@H](N2Cc3ccccc3C2=O)C1=O ZINC000072175913 FC Annotated Anodyne O=C1CCCC(=O)N1CN1C(=O)CC[C@H](N2Cc3ccccc3C2=O)C1=O ZINC000072175914 FC Annotated Anodyne CCn1cc(-c2nnc3sc(=O)c(O)nn23)c(=O)c2ccc(C)nc21 ZINC000072182887 FC Annotated Anodyne CCOC(=O)c1cnn(-c2nc(-c3ccco3)c(C#N)c(=O)n2C)c1N ZINC000072184028 FC Annotated Mild COc1cc(NC(=O)[C@H](C)N2CCN(CCO)C(=O)C2)cc(OC)c1 ZINC000072308799 FC Annotated Anodyne COc1cc(NC(=O)[C@@H](C)N2CCN(CCO)C(=O)C2)cc(OC)c1 ZINC000072308800 FC Annotated Anodyne COc1cc(-c2cc(C(=O)N[C@H]3CCOC3)c3c(N)ncnn23)ccn1 ZINC000072317555 FC Annotated Anodyne Cc1ncc(CN2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 ZINC000072412110 FC Annotated Anodyne CN(C)CCNC(=O)c1ccc(/C=C2\C(=O)Nc3ncccc32)[nH]c1=O ZINC000073159724 FC Annotated Anodyne C[C@H](Cn1ncnn1)n1nnc2cc3c(=O)n(C4CC4)cnc3cc2c1=O ZINC000073163217 FC Annotated Bother C[C@H](Cn1ncnn1)n1cnc2cc3c(=O)n(C4CC4)cnc3cc2c1=O ZINC000073163219 FC Annotated Bother CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4cnc(N)nc4)cc3OC[C@@H]12 ZINC000073196094 FC Annotated Anodyne C[C@H](Cn1nccn1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000073196679 FC Annotated Bother O=C(OC[C@@H](O)Cn1cc(CN2CCOCC2)nn1)C1CCCCC1 ZINC000073197300 FC Annotated Anodyne O=C(OC[C@H](O)Cn1cc(CN2CCOCC2)nn1)C1CCCCC1 ZINC000073197301 FC Annotated Anodyne CCn1c(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)n[nH]c1=O ZINC000073197755 FC Annotated Anodyne NC(=O)c1cc(C(N)=O)c2cc(I)c(N)cc2n1 ZINC000073198259 FC Annotated Anodyne CNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)o1 ZINC000073198632 FC Annotated Anodyne O=C(O)c1ccc2cc(C(=O)N3CCN[C@H](C(=O)O)[C@@H]3C(=O)O)ccc2c1 ZINC000073199905 FC Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c2c(cc2nnn(CCO)c23)C1=O ZINC000073199980 FC Annotated Anodyne CCNc1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F ZINC000073221038 FC Annotated Anodyne O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1cc[nH]n1 ZINC000073222645 FC Annotated Anodyne CC1(C)O[C@H]2[C@@H](CO[C@]3([C@@H]4OC(C)(C)O[C@@H]4CO)OC(C)(C)O[C@H]23)O1 ZINC000073242941 FC Annotated Anodyne CC1(C)O[C@@H]2[C@@H]3OC(C)(C)O[C@@]3([C@@H]3OC(C)(C)O[C@@H]3CO)OC[C@H]2O1 ZINC000073242943 FC Annotated Anodyne CC(=O)NCCNC(=O)c1nnc2n1CCN(C(=O)C1CCCCC1)C2 ZINC000074376262 FC Annotated Anodyne CCCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)C1=O ZINC000007528676 FC Annotated Anodyne CCCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)C1=O ZINC000007528680 FC Annotated Anodyne CCCn1c(C)nc2c(NCCCN(CCO)CCO)nc(C)nc21 ZINC000007991893 FC Annotated Anodyne C[C@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@H]2CCCN2C1=O ZINC000007998200 FC Annotated Anodyne CC[C@@H](c1ccccc1)n1c(=O)n2n(c1=O)[C@@H]1[C@H](CC2)C(=O)[C@@H]2O[C@@H]2[C@H]1O ZINC000007998750 FC Annotated Anodyne COCC(=O)N[C@H]1C[C@@H](CO)N(Cc2c[nH]nc2-c2cccs2)C1 ZINC000075403559 FC Annotated Anodyne CCN(C)CC(=O)N1CCN(Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000077338434 FC Annotated Anodyne C[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@H](O)C(=O)[C@H]2[C@]31C ZINC000008221330 FC Annotated Anodyne in-vitro CCc1csc(CNC(=O)Cn2ncc(N3CCOCC3)cc2=O)n1 ZINC000082039303 FC Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC(CO)(CO)CO)[C@H]3C[C@@H]12 ZINC000082051348 FC Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC(CO)(CO)CO)[C@H]3C[C@H]12 ZINC000082051350 FC Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNC(CO)(CO)CO)[C@H]3C[C@@H]12 ZINC000082051352 FC Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNC(CO)(CO)CO)[C@H]3C[C@H]12 ZINC000082051354 FC Annotated Mild CCc1nc(C(=O)N[C@@H](C)C(=O)NCCCN2CCN(C)CC2)cs1 ZINC000082070702 FC Annotated Anodyne CCc1nc(C(=O)N[C@H](C)C(=O)NCCCN2CCN(C)CC2)cs1 ZINC000082070703 FC Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCN)cs1 ZINC000082071140 FC Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)OCCN)cs1 ZINC000082071141 FC Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)NCCCN2CCN(C)CC2)cs1 ZINC000082073932 FC Annotated Anodyne C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCNCC1 ZINC000082083274 FC Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCNCC1 ZINC000082083275 FC Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cccs2)n1)C(N)=O ZINC000082084254 FC Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(N)=O ZINC000082084255 FC Annotated Anodyne O=C(CNC(=O)c1coc(-c2cccs2)n1)N[C@@H]1CCCCNC1=O ZINC000082084799 FC Annotated Anodyne O=C(CNC(=O)c1coc(-c2cccs2)n1)N[C@H]1CCCCNC1=O ZINC000082084800 FC Annotated Anodyne NCCOC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084839 FC Annotated Bother O=C(NCC(=O)N1CCNCC1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084854 FC Annotated Anodyne O=C(NCC(=O)N1CCCNCC1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084855 FC Annotated Anodyne NCCOC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084891 FC Annotated Bother CN(C)CCOC(=O)CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084936 FC Annotated Anodyne CN(CC(=O)N1CCNCC1)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085707 FC Annotated Anodyne NCCN(CCO)CCOC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082086237 FC Annotated Anodyne COCC1=C2/C(=C\[C@]3(C)CC[C@@](O)(O3)[C@@](C)(O)C[C@@H]2OC(C)=O)OC1=O ZINC000082123058 FC Annotated Anodyne O=C1CC[C@@H](O)[C@]23O[C@]12C1(Oc2cccc4cccc(c24)O1)[C@@H]1O[C@@H]1[C@@H]3O ZINC000082123131 FC Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@](C)(O)C(=O)C[C@H](O)/C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12 ZINC000082123171 FC Annotated Mild C=C(C)C(=O)O[C@H]1C[C@](C)(O)C(=O)C[C@@H](O)/C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12 ZINC000082123172 FC Annotated Mild C[C@H]1CC(=O)C2=C(C1)[C@@H](O)[C@H](O)[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O ZINC000082123388 FC Annotated Anodyne C[C@H]1CC(=O)C2=C(C1)[C@H](O)[C@@H](O)[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O ZINC000082123390 FC Annotated Anodyne C[C@H]1CC(=O)C2=C(C1)[C@H](O)[C@H](O)[C@]1(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]1O ZINC000082123394 FC Annotated Anodyne CC(C)(C)C(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1 ZINC000082156760 FC Annotated Anodyne COC(=O)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082195993 FC Annotated Anodyne CCOC(=O)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196128 FC Annotated Anodyne CC(=O)OCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196316 FC Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCCOC)n2)CC1 ZINC000082203384 FC Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@@H](C)COC)n2)CC1 ZINC000082203386 FC Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@H](C)COC)n2)CC1 ZINC000082203389 FC Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCC(=O)OC)n2)CC1 ZINC000082203862 FC Annotated Anodyne COC(=O)CCNc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082204128 FC Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@H](C)C(=O)OC)n2)CC1 ZINC000082204162 FC Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCC(=O)OC)n2)CC1 ZINC000082204163 FC Annotated Anodyne COCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)CCN2 ZINC000082204433 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)CCN2 ZINC000082204483 FC Annotated Anodyne COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)CCN2 ZINC000082204602 FC Annotated Anodyne COCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)CCN2 ZINC000082204608 FC Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC(=O)OC)c2=O)CCN3)cc1 ZINC000082204643 FC Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)CCN2 ZINC000082204749 FC Annotated Anodyne COCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)CCN2 ZINC000082204782 FC Annotated Anodyne COCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)CCN2 ZINC000082204784 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)CCN2 ZINC000082204827 FC Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)CCN2)c1ccco1 ZINC000082204839 FC Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)CCN2 ZINC000082204841 FC Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)CCN2)c1ccncc1 ZINC000082204845 FC Annotated Anodyne C=CCn1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205308 FC Annotated Mild NCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205483 FC Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCN)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205485 FC Annotated Mild COCCn1c(=O)c(NC(C)=O)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205514 FC Annotated Anodyne CCCn1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205528 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(C)=O)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205556 FC Annotated Anodyne CC(C)n1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205596 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205987 FC Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205989 FC Annotated Mild NCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205992 FC Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206693 FC Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206695 FC Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)C[C@H](C(C)C)N2 ZINC000082206700 FC Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)C[C@@H](C(C)C)N2 ZINC000082206701 FC Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206709 FC Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@@H](C(C)C)N2 ZINC000082206758 FC Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@H](C(C)C)N2 ZINC000082206760 FC Annotated Mild COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@@H](C)N2 ZINC000082206966 FC Annotated Anodyne COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](C)N2 ZINC000082206967 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@@H](C)N2 ZINC000082207055 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](C)N2 ZINC000082207057 FC Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207412 FC Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207414 FC Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207420 FC Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207422 FC Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207430 FC Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207433 FC Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)C[C@@H](CC)N2 ZINC000082208143 FC Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)C[C@H](CC)N2 ZINC000082208145 FC Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(CCOC)c2=O)N1 ZINC000082208156 FC Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(CCOC)c2=O)N1 ZINC000082208157 FC Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208226 FC Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208229 FC Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208232 FC Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208233 FC Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208263 FC Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208265 FC Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208394 FC Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208398 FC Annotated Anodyne NCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210276 FC Annotated Anodyne NCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210278 FC Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCN)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210280 FC Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(CCN)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210284 FC Annotated Mild COC(=O)Cn1c(=O)c(NC(C)=O)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210510 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(C)=O)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210516 FC Annotated Anodyne C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082210851 FC Annotated Anodyne C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082210853 FC Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@H](C)CN3)cc1 ZINC000082211106 FC Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@@H](C)CN3)cc1 ZINC000082211109 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211245 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211247 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082211255 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211258 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211266 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211268 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@H](C)CN2 ZINC000082211277 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H](C)CN2 ZINC000082211279 FC Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@H](C)CN2 ZINC000082211723 FC Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@@H](C)CN2 ZINC000082211724 FC Annotated Anodyne CC(C)CNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@H](C)CN2 ZINC000082211725 FC Annotated Anodyne CC(C)CNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@@H](C)CN2 ZINC000082211727 FC Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@H](C)CN3)cc1 ZINC000082211860 FC Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@@H](C)CN3)cc1 ZINC000082211863 FC Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(CCN)c(=O)n21 ZINC000082211866 FC Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(CCN)c(=O)n21 ZINC000082211869 FC Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@H](C)CN3)cc1 ZINC000082211880 FC Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@@H](C)CN3)cc1 ZINC000082211883 FC Annotated Anodyne COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082211963 FC Annotated Anodyne COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211965 FC Annotated Anodyne COCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@H](C)CN2 ZINC000082212351 FC Annotated Anodyne COCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212353 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@H](C)CN2 ZINC000082212429 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212433 FC Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](C)CN2 ZINC000082212503 FC Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](C)CN2 ZINC000082212505 FC Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082224161 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082224234 FC Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082224236 FC Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCN(C(C)=O)CC3)ccc2[nH]c1=O ZINC000082231427 FC Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CC[C@H](NC(C)=O)C3)ccc2[nH]c1=O ZINC000082231765 FC Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CC[C@@H](NC(C)=O)C3)ccc2[nH]c1=O ZINC000082231766 FC Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CC[C@H](NC(C)=O)C3)ccc2[nH]c1=O ZINC000082231775 FC Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CC[C@@H](NC(C)=O)C3)ccc2[nH]c1=O ZINC000082231776 FC Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCN2CCOCC2)cc1 ZINC000082232691 FC Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCN2CCOCC2)cc1 ZINC000082232692 FC Annotated Anodyne O=S(=O)(O)C[C@@H](S)CSSC[C@@H](S)S(=O)(=O)O ZINC000084403326 FC Annotated Reactive O=S(=O)(O)C[C@H](S)CSSC[C@@H](S)S(=O)(=O)O ZINC000084403327 FC Annotated Reactive O=S(=O)(O)C[C@@H](S)CSSC[C@H](S)S(=O)(=O)O ZINC000084403328 FC Annotated Reactive O=S(=O)(O)C[C@H](S)CSSC[C@H](S)S(=O)(=O)O ZINC000084403329 FC Annotated Reactive Nc1ncc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 ZINC000084634836 FC Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](OC(=O)[C@H](O)CO)c1ccc2c(c1)OCO2 ZINC000084668430 FC Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H](OC(=O)[C@H](O)CO)c1ccc2c(c1)OCO2 ZINC000084668431 FC Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](OC(=O)[C@@H](O)CO)c1ccc2c(c1)OCO2 ZINC000084668432 FC Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H](OC(=O)[C@@H](O)CO)c1ccc2c(c1)OCO2 ZINC000084668433 FC Annotated Anodyne NC(=O)CC[C@H](c1nc2ccccc2o1)n1cc(/C=C/C(=O)NO)nn1 ZINC000084668942 FC Annotated Bother NC(=O)CC[C@@H](c1nc2ccccc2o1)n1cc(/C=C/C(=O)NO)nn1 ZINC000084668943 FC Annotated Bother NN1CCN(NC2=C(Br)C(=O)c3ncccc3C2=O)CC1 ZINC000084710591 FC Annotated Mild Cc1ccc2c(n1)C(=O)C(Br)=C(NN1CCN(N)CC1)C2=O ZINC000084724622 FC Annotated Mild Cc1c(C(N)=O)sc2c1c(=O)n(Cc1ccccc1)c1n[nH]c(=O)n21 ZINC000084727690 FC Annotated Anodyne NC(=O)[C@H](CO)NC(=O)C[S@](=O)C1c2ccccc2-c2ccccc21 ZINC000084757617 FC Annotated Anodyne NC(=O)[C@H](CO)NC(=O)C[S@@](=O)C1c2ccccc2-c2ccccc21 ZINC000084757619 FC Annotated Anodyne CCO[C@H]1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000084758850 FC Annotated Anodyne CCO[C@@H]1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000084758851 FC Annotated Anodyne CCO[C@H]1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br ZINC000084758852 FC Annotated Anodyne CCO[C@@H]1N([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C(O)[C@@]1(C)Br ZINC000084758853 FC Annotated Anodyne COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)[C@H](OC(C)=O)C3 ZINC000084759166 FC Annotated Mild Nc1nc2c(ncn2[C@H]2CC[C@H](CO)O2)c(=O)n1C(=O)c1ccccc1 ZINC000008582214 FC Annotated Anodyne in-vitro Cn1c(N)c(C(=O)COC(=O)c2ccnc3ccccc23)c(=O)n(C)c1=O ZINC000008586155 FC Annotated Anodyne COCCNC(=O)c1cnc2sc(N3CCC(C)CC3)nn2c1=O ZINC000008602989 FC Annotated Anodyne O=C1C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]21 ZINC000008606234 FC Annotated Anodyne O=C1C[C@@H](O)[C@@H](O)[C@H]2[C@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]21 ZINC000008627064 FC Annotated Anodyne Nc1nc2c(ncn2[C@@H]2CC[C@H](CO)O2)c(=O)n1C(=O)c1ccccc1 ZINC000008653491 FC Annotated Anodyne in-vitro Nc1nc2c(ncn2[C@H]2CC[C@@H](CO)O2)c(=O)n1C(=O)c1ccccc1 ZINC000008682291 FC Annotated Anodyne CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)C[C@@H](O)[C@@H](O)[C@@]2(C)[C@H]13 ZINC000008829471 FC Annotated Anodyne C=C1[C@@H]2C[C@H](O)C(C)(C)[C@@]2(O)[C@H](O)C[C@]23C[C@@](C)(O)[C@H](CC[C@H]12)[C@H]3O ZINC000008829485 FC Annotated Mild C=C1[C@H]2CC[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 ZINC000008829486 FC Annotated Mild C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23 ZINC000085491571 FC Annotated Anodyne in-vitro biogenic CCC(=O)[C@]12O[C@H]1[C@@H]1OC[C@H]2[C@@H](N)C[C@@]12C(=O)N(OC)c1ccccc12 ZINC000085506732 FC Annotated Anodyne in-vitro biogenic C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085506947 FC Annotated Mild in-vitro biogenic COc1ccc2c(c1O)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](O)[C@@H](O)C3 ZINC000085508054 FC Annotated Anodyne in-vitro biogenic COc1ccc2c(c1O)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@@]4(O)[C@@H](OC)[C@@H](O)C3 ZINC000085508056 FC Annotated Anodyne in-vitro biogenic C[C@@H](CO)c1oc(=O)cc2c1[C@@H](O)[C@@H]1OC(=O)[C@@]3(C)CC[C@@H](O)[C@@]2(C)[C@H]13 ZINC000085509001 FC Annotated Anodyne in-vitro biogenic C/C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 ZINC000085509101 FC Annotated Bother in-vitro biogenic O=C1C[C@H](CCCO)C[C@@H]2[C@H]3CCCN4CCC[C@@H]([C@@H]34)[C@H](C(O)O)N12 ZINC000085510700 FC Annotated Anodyne in-vitro biogenic CC1(C)[C@H]2O[C@H]2[C@@H]2[C@](C)(O)[C@@H]3CC[C@@H]4C[C@]3(C[C@@]4(C)O)[C@H](O)[C@@H](O)[C@@]21O ZINC000085511810 FC Annotated Anodyne in-vitro biogenic C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@@H]23 ZINC000085532077 FC Annotated Anodyne in-vitro biogenic CN/C1=N/CC#C[C@@H]2C[C@@H](C)[C@@]34C[C@H](O)C(C(=O)O)=C3C[C@@H]2[C@@]4(C)CN1 ZINC000085548977 FC Annotated Mild in-vitro biogenic CNCCNC(=N)NC[C@]1(C)[C@@H]2CC[C@@H](C)[C@]13C[C@H](O)C(C(=O)O)=C3C2 ZINC000085549045 FC Annotated Anodyne in-vitro biogenic C[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000085553366 FC Annotated Clean COc1cccc2c1[C@H](O)[C@@]1(O)C=CC3=C(C(=O)C[C@H](C)[C@H]3O)[C@@H]1[C@H]2O ZINC000085557741 FC Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085559330 FC Annotated Mild CC(C)=C(CO)C[C@@]12O[C@]1(C(=O)OCCO)C(=O)c1ccccc1C2=O ZINC000085592725 FC Annotated Clean in-vitro biogenic C[C@]12O[C@H]1[C@@H](O)c1c3c(n(C#N)c1C2=O)C(=O)c1c(O)cccc1C3=O ZINC000085596600 FC Annotated Clean O=C1c2cc3c(c(O)c2C(=O)c2c(O)ccc(O)c21)[C@]1(O)C[C@@H](O)O[C@@H]1O3 ZINC000085602785 FC Annotated Clean CC1=CC(=O)[C@]2(O)C3=C(C(=O)c4c(O)cccc4C3=O)[C@H](O)C[C@]2(O)C1 ZINC000085614264 FC Annotated Mild in-vitro CC(=O)/C=C/c1ccc(O)c(OO[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)c1 ZINC000085644894 FC Annotated Reactive in-vitro biogenic COCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@H]2OC(C)=O)OC1=O ZINC000085722662 FC Annotated Anodyne C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085799937 FC Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085799938 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](C)([C@@H]1[C@@H]3C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O ZINC000085799983 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)([C@@H](O)[C@@H](O)[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085799985 FC Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12C[C@@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800037 FC Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800039 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000085800137 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800139 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000085800157 FC Annotated Mild in-man C=C1C[C@]23C[C@H]1[C@H](O)C[C@@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085800159 FC Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12OC(=O)[C@](C)(C[C@H](O)[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085800220 FC Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12OC(=O)[C@](C)(C[C@@H](O)[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085800221 FC Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]12OC(=O)[C@](C)([C@H](O)C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085800293 FC Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000085800296 FC Annotated Mild in-man CO[C@]1(Cc2c[nH]c3ccccc23)NC(=O)[C@@](SC)([C@H](C)O)NC1=O ZINC000085802151 FC Annotated Anodyne C[C@H]1OC=C2[C@H]3C[C@]4(O)N(CC[C@@]45c4ccccc4N(C(=O)CO)[C@@H]25)C[C@H]31 ZINC000085831167 FC Annotated Anodyne C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3C[C@@H](O)[C@H](COC(=O)[C@@]1(C)O)[C@@H]23 ZINC000085840287 FC Annotated Mild C/C=C1\C[C@@H](C)[C@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@]23O ZINC000085856855 FC Annotated Bother COC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@@H]2O)cc1 ZINC000085877391 FC Annotated Anodyne in-man endogenous COC(=O)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@H](O)[C@@H]2O)cc1 ZINC000085877397 FC Annotated Anodyne in-man COC(=O)NCc1ccc(O[C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H](O)[C@@H]2O)cc1 ZINC000085877401 FC Annotated Anodyne in-man COC(=O)NCc1ccc(O[C@@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@H](O)[C@@H]2O)cc1 ZINC000085877407 FC Annotated Anodyne in-man CC(=O)O[C@H]1C=C[C@H](OC(C)=O)[C@](O)(COC(=O)c2ccccc2)[C@@H]1O ZINC000085881096 FC Annotated Anodyne C[C@@H]1[C@@H](O)[C@H](O)[C@@]2(CO)C(CO)=CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1 ZINC000085929429 FC Annotated Anodyne O[C@H]1C=C[C@@H](O)[C@]23O[C@]12[C@@H](O)[C@H]1O[C@H]1C31Oc2cccc3cccc(c23)O1 ZINC000086034209 FC Annotated Anodyne O[C@H]1CC[C@@H](O)[C@]23O[C@]12[C@@H](O)[C@H]1O[C@H]1C31Oc2cccc3cccc(c23)O1 ZINC000086034241 FC Annotated Anodyne C[C@H]1O[C@@H](Oc2ccc(C/N=C(/S)OC#N)cc2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086043910 FC Annotated Mild in-man C[C@@H]1O[C@@H](Oc2ccc(C/N=C(/S)OC#N)cc2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086043913 FC Annotated Mild in-man CCCCNC(=O)[C@H](NC(=O)/C(=N\OC)c1ccco1)C(OC)OC ZINC000087528423 FC Annotated Mild in-vitro CCCCNC(=O)[C@@H](NC(=O)/C(=N\OC)c1ccco1)C(OC)OC ZINC000087528427 FC Annotated Mild in-vitro C=CCOC(=O)c1ccc(CN[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2SC)cc1 ZINC000087722256 FC Annotated Mild CC(=O)O[C@@H]1O[C@@H](C(F)F)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000088367750 FC Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@]1(O)C4=C(CC[C@]31C)C(=O)OC4)C2=O ZINC000089456063 FC Annotated Anodyne in-vitro biogenic C=C(C)CN1C(=O)[C@H](CN(C)C)S/C1=N\N=C1/SCC(=O)N1C ZINC000089469780 FC Annotated Mild C=C(C)CN1C(=O)[C@@H](CN(C)C)S/C1=N\N=C1/SCC(=O)N1C ZINC000089469785 FC Annotated Mild CN1CCN(c2ccc3nnc(CCC(=O)Nc4ccccn4)n3n2)CC1 ZINC000009118889 FC Annotated Anodyne Cc1ccc(N2CC[C@]3(O)CCN(CCN4CCCC4=O)C[C@@H]3C2)nn1 ZINC000092038275 FC Annotated Anodyne C=C[C@@]1(O)CN2CC[C@H]1C[C@H]2[C@H](O)C1=C2C=C(OC)C=C[C@H]2NC(=O)C1 ZINC000095099435 FC Annotated Mild in-vitro biogenic C=C[C@@]1(O)CN2CC[C@H]1C[C@H]2[C@H](O)C1=C2C=C(OC)C=C[C@@H]2NC(=O)C1 ZINC000095099436 FC Annotated Mild in-vitro biogenic C=C[C@@]1(O)CN2CC[C@@H]1C[C@H]2[C@H](O)C1=C2C=C(OC)C=C[C@H]2NC(=O)C1 ZINC000095099437 FC Annotated Mild in-vitro biogenic C=C[C@@]1(O)CN2CC[C@@H]1C[C@H]2[C@H](O)C1=C2C=C(OC)C=C[C@@H]2NC(=O)C1 ZINC000095099438 FC Annotated Mild in-vitro biogenic CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H]3[C@@H](C)[C@@H](O)[C@H](O)[C@@]2(C)[C@]31C ZINC000095099593 FC Annotated Mild in-vitro biogenic CCNc1ncc(CN2C[C@H](CO)[C@H](CN3CCC(CO)CC3)C2)cn1 ZINC000095352003 FC Annotated Anodyne C=C[C@@]12COC(=O)C(=C)[C@H]1[C@@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)CO)C2 ZINC000095486036 FC Annotated Mild in-vitro biogenic C=C[C@]12[C@H](CC)OC(=O)C[C@H]1[C@@H]1OC(=O)C[C@H]1[C@H](OC(=O)CCO)[C@@H]2O ZINC000095486104 FC Annotated Mild in-vitro biogenic CC[C@@H]1C[C@@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3C[C@H](C[C@@H]23)OC1=O ZINC000095486226 FC Annotated Anodyne in-vitro biogenic C[C@@](CCn1cc(-c2cccc(F)c2F)nn1)(C(=O)NO)S(C)(=O)=O ZINC000095553681 FC Annotated Bother C[C@@](CCn1cc(-c2ccc(F)c(F)c2)nn1)(C(=O)NO)S(C)(=O)=O ZINC000095554747 FC Annotated Bother Cc1ccc(-c2cn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)nn2)cc1 ZINC000095555071 FC Annotated Bother COc1cc2c(cc1OCC(=O)OCCO[N+](=O)[O-])C(=O)[C@@H](C)OC2 ZINC000095558504 FC Annotated Anodyne COc1cc2c(cc1OCC(=O)OCCO[N+](=O)[O-])C(=O)[C@H](C)OC2 ZINC000095558505 FC Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2 ZINC000095558919 FC Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2 ZINC000095558920 FC Annotated Anodyne COC(=O)[C@H](CC(C)C)N1C[C@@H]2O[C@@H](C(=O)N3CCCCC3)[C@@H](O2)C1=O ZINC000095559041 FC Annotated Anodyne COc1cc2c(cc1OCC(=O)OCCO[N+](=O)[O-])CO[C@H](C)C2=O ZINC000095559436 FC Annotated Anodyne COc1cc2c(cc1OCC(=O)OCCO[N+](=O)[O-])CO[C@@H](C)C2=O ZINC000095559437 FC Annotated Anodyne COC(=O)[C@H](CC(C)C)N1C[C@H]2O[C@H](C(=O)N3CCCCC3)[C@H](O2)C1=O ZINC000095561444 FC Annotated Anodyne CC(C)(C)OC(=O)N1[C@H](CO)CC(F)(F)[C@H]1n1cc(F)c(=O)[nH]c1=O ZINC000095561925 FC Annotated Anodyne COC(=O)[C@@H](CC(C)C)N1C[C@H]2O[C@H](C(=O)N3CCCCC3)[C@H](O2)C1=O ZINC000095561961 FC Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1O[C@@H]2CN(Cc3ccccc3)C(=O)[C@H]1O2 ZINC000095562352 FC Annotated Anodyne CC(C)(C)OC(=O)N1[C@H](CO)CC(F)(F)[C@@H]1n1cc(F)c(=O)[nH]c1=O ZINC000095562649 FC Annotated Anodyne COC(=O)[C@@]1(O)C(c2ccc(O)cc2)=C(O)C(=O)[C@@]1(O)c1ccc(O)cc1 ZINC000095562764 FC Annotated Mild COc1ccc2c(c1OCC(=O)OCCO[N+](=O)[O-])CO[C@H](C)C2=O ZINC000095563107 FC Annotated Anodyne COc1ccc2c(c1OCC(=O)OCCO[N+](=O)[O-])CO[C@@H](C)C2=O ZINC000095563108 FC Annotated Anodyne O=C(CCCCCO[N+](=O)[O-])N1CCN(c2ncnc3[nH]cnc23)CC1 ZINC000095563235 FC Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 ZINC000095563687 FC Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 ZINC000095563688 FC Annotated Anodyne COC(=O)[C@@H](CC(C)C)N1C[C@@H]2O[C@@H](C(=O)N3CCCCC3)[C@@H](O2)C1=O ZINC000095563794 FC Annotated Anodyne COC(=O)[C@]1(O)C(c2ccc(O)cc2)=C(O)C(=O)[C@]1(O)c1ccc(O)cc1 ZINC000095563819 FC Annotated Mild CCCN(C)[C@@H]1CN(Cc2cn(CCCC(=O)OC)nn2)S(=O)(=O)C1 ZINC000095567147 FC Annotated Anodyne CCCN(C)[C@H]1CN(Cc2cn(CCCC(=O)OC)nn2)S(=O)(=O)C1 ZINC000095567148 FC Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@H]1N1CCN(c2ccccn2)CC1 ZINC000095570803 FC Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000095570804 FC Annotated Anodyne COc1ccc(F)cc1-c1c(CN)c(N)nc2c1c(=O)n(C)c(=O)n2C ZINC000095579556 FC Annotated Anodyne O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc([C@H](O)CO)nc4)ccc3N12 ZINC000095582817 FC Annotated Anodyne O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc([C@@H](O)CO)nc4)ccc3N12 ZINC000095582818 FC Annotated Anodyne S=C(S)NCCN(CCNC(=S)S)CNC(=S)S ZINC000095587521 FC Annotated Anodyne CCCCCCCCOCC#CCOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC000095588327 FC Annotated Mild CCOC(=O)C[n+]1c(Br)c(Br)n(C)c1CO ZINC000095589075 FC Annotated Mild N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)c2cnccn2)CC1 ZINC000095590053 FC Annotated Mild NS(=O)(=O)c1ccccc1N1S(=O)(=O)c2ccccc2S1(=O)=O ZINC000095590357 FC Annotated Anodyne O=C(CO)Nc1cc2c(cc1OC(=O)CO)Oc1ccc(CO)cc1N2 ZINC000095593545 FC Annotated Anodyne COc1ccc(/C=C2\NC(=O)N(C[C@H](O)CN3CCOCC3)C2=O)cc1 ZINC000095594316 FC Annotated Anodyne COc1ccc(/C=C2\NC(=O)N(C[C@@H](O)CN3CCOCC3)C2=O)cc1 ZINC000095594317 FC Annotated Anodyne COc1ccc(/C=C2\NC(=O)N(C[C@@H](O)CNC(C)C)C2=O)c(OC)c1 ZINC000095598248 FC Annotated Anodyne COc1ccc(/C=C2\NC(=O)N(C[C@H](O)CNC(C)C)C2=O)c(OC)c1 ZINC000095598249 FC Annotated Anodyne COc1ccc(/C=C2\NC(=O)N(C[C@@H](O)CN3CCN(C)CC3)C2=O)cc1 ZINC000095598698 FC Annotated Anodyne COc1ccc(/C=C2\NC(=O)N(C[C@H](O)CN3CCN(C)CC3)C2=O)cc1 ZINC000095598699 FC Annotated Anodyne CN(C)CCN1CCN([C@@H]2CN(C3CCCCC3)S(=O)(=O)C2)CC1 ZINC000095599187 FC Annotated Anodyne CN(C)CCN1CCN([C@H]2CN(C3CCCCC3)S(=O)(=O)C2)CC1 ZINC000095599188 FC Annotated Anodyne COCCN1C(=O)CC[C@]1(C)c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095599302 FC Annotated Anodyne COCCN1C(=O)CC[C@@]1(C)c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095599303 FC Annotated Anodyne O=C(NC1CCCC1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO ZINC000095599893 FC Annotated Anodyne CC(C)NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccs1 ZINC000095602711 FC Annotated Anodyne CC(C)NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccs1 ZINC000095602712 FC Annotated Anodyne O=C(Cc1ccccc1)N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO ZINC000095604265 FC Annotated Anodyne COC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095605086 FC Annotated Anodyne COC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2cccc(OC)c2)[C@@H](CO)O1 ZINC000095605170 FC Annotated Anodyne COC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1 ZINC000095605654 FC Annotated Anodyne C[C@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]1CC[C@@H]4C[C@]1(C[C@]4(O)CO)[C@@H](C(=O)O)[C@@H]32 ZINC000095635847 FC Annotated Anodyne in-vitro CSCCCCCC/C(=N\O)S[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO ZINC000095636030 FC Annotated Mild in-vitro CSCCCCCC/C(=N\O)S[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO ZINC000095636031 FC Annotated Mild in-vitro CSCCCCC/C(=N\O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095636032 FC Annotated Mild in-vitro C[C@@H]1CN(C)C(=O)Cc2cc(N)ccc2O[C@@H]1CN(C)S(C)(=O)=O ZINC000095660973 FC Annotated Anodyne CNC[C@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N(C)C[C@@H]1C ZINC000095661459 FC Annotated Anodyne CNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N(C)C[C@H]1C ZINC000095661655 FC Annotated Anodyne C[C@H]1CN(C)C(=O)Cc2cc(N)ccc2O[C@H]1CN(C)S(C)(=O)=O ZINC000095662092 FC Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095662403 FC Annotated Anodyne C[C@@H]1CN(C)C(=O)Cc2cc(N)ccc2O[C@H]1CN(C)S(C)(=O)=O ZINC000095662558 FC Annotated Anodyne CNC[C@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N(C)C[C@H]1C ZINC000095662774 FC Annotated Anodyne C[C@H]1CN(C)C(=O)Cc2cc(N)ccc2O[C@@H]1CN(C)S(C)(=O)=O ZINC000095662869 FC Annotated Anodyne CNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N(C)C[C@@H]1C ZINC000095663502 FC Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CN(S(C)(=O)=O)C1 ZINC000095663937 FC Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095666890 FC Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095666932 FC Annotated Anodyne CCS(=O)(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CC1)C2 ZINC000095667275 FC Annotated Anodyne CCS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CC1)C2 ZINC000095667279 FC Annotated Anodyne O=C(CN1CCOCC1)NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CC1 ZINC000095667380 FC Annotated Anodyne CCS(=O)(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)C1CC1)C2 ZINC000095667642 FC Annotated Anodyne CNC[C@H]1Oc2ncc(-c3cncnc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095667749 FC Annotated Anodyne CNC[C@@H]1Oc2ncc(-c3cncnc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095667945 FC Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1cnccn1)C2 ZINC000095667975 FC Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1cnccn1)C2 ZINC000095667979 FC Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1cnccn1)C2 ZINC000095667983 FC Annotated Anodyne CC(C)N(C[C@@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)CN1CCOCC1 ZINC000095668344 FC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 ZINC000095675150 FC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 ZINC000095675151 FC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 ZINC000095675152 FC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 ZINC000095675153 FC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 ZINC000095675154 FC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 ZINC000095675155 FC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 ZINC000095675156 FC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 ZINC000095675157 FC Annotated Anodyne COCCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095675438 FC Annotated Anodyne COCCNC(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095675439 FC Annotated Anodyne COCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095675440 FC Annotated Anodyne COCCNC(=O)C[C@@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095675441 FC Annotated Anodyne COCCNC(=O)C[C@@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095675442 FC Annotated Anodyne COCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095675443 FC Annotated Anodyne COCCNC(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095675444 FC Annotated Anodyne COCCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095675445 FC Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1cnccn1 ZINC000095675485 FC Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1cnccn1 ZINC000095675486 FC Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1cnccn1 ZINC000095675487 FC Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1cnccn1 ZINC000095675488 FC Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1cnccn1 ZINC000095675489 FC Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1cnccn1 ZINC000095675858 FC Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1cnccn1 ZINC000095675859 FC Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1cnccn1 ZINC000095675860 FC Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccccn1 ZINC000095676175 FC Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccccn1 ZINC000095676176 FC Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccccn1 ZINC000095676177 FC Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccccn1 ZINC000095676178 FC Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccccn1 ZINC000095676179 FC Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccccn1 ZINC000095676180 FC Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccccn1 ZINC000095676181 FC Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccccn1 ZINC000095676182 FC Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO ZINC000095676253 FC Annotated Anodyne O=C(Cc1ccccc1)N[C@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO ZINC000095676254 FC Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO ZINC000095676255 FC Annotated Anodyne O=C(Cc1ccccc1)N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO ZINC000095676256 FC Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO ZINC000095676257 FC Annotated Anodyne O=C(Cc1ccccc1)N[C@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO ZINC000095676258 FC Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO ZINC000095676259 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095676281 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095676283 FC Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095676351 FC Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095676354 FC Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095676355 FC Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095676356 FC Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095676358 FC Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095676360 FC Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095676362 FC Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095676365 FC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCC(F)(F)F ZINC000095676556 FC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCC(F)(F)F ZINC000095676557 FC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCC(F)(F)F ZINC000095676559 FC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCC(F)(F)F ZINC000095676562 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095676566 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095676567 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095676568 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095676569 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095676571 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095676572 FC Annotated Anodyne COC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1 ZINC000095676613 FC Annotated Anodyne COC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095676615 FC Annotated Anodyne COC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1 ZINC000095676616 FC Annotated Anodyne COC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095676617 FC Annotated Anodyne COC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1 ZINC000095676618 FC Annotated Anodyne COC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095676620 FC Annotated Anodyne COC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2F)[C@H](CO)O1 ZINC000095676621 FC Annotated Anodyne COC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095676622 FC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095676982 FC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095676984 FC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095676986 FC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095676988 FC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095676989 FC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095676990 FC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)NCCCN(C)C)O[C@H]1CO ZINC000095676991 FC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCCN(C)C)O[C@@H]1CO ZINC000095676992 FC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCC(F)(F)F ZINC000095678167 FC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCC(F)(F)F ZINC000095678169 FC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCC(F)(F)F ZINC000095678171 FC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCC(F)(F)F ZINC000095678173 FC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCC(F)(F)F ZINC000095678174 FC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCC(F)(F)F ZINC000095678175 FC Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095678211 FC Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095678213 FC Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095678216 FC Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095678218 FC Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095678220 FC Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095678222 FC Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095678224 FC Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095678226 FC Annotated Anodyne CNC[C@@H]1Oc2ncc(-c3cncnc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095729777 FC Annotated Anodyne CNC[C@H]1Oc2ncc(-c3cncnc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095729780 FC Annotated Anodyne CCOC(=O)[C@H](C[C@H](C(=O)OCC)C1=c2ccccc2=NC1)NC(C)=O ZINC000095743593 FC Annotated Anodyne CCOC(=O)[C@H](C[C@@H](C(=O)OCC)C1=c2ccccc2=NC1)NC(C)=O ZINC000095743594 FC Annotated Anodyne CCOC(=O)[C@@H](C[C@@H](NC(C)=O)C(=O)OCC)C1=c2ccccc2=NC1 ZINC000095743595 FC Annotated Anodyne CCOC(=O)[C@@H](C[C@@H](C(=O)OCC)C1=c2ccccc2=NC1)NC(C)=O ZINC000095743596 FC Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CC(=O)O)C[C@@H]1CC1=c2ccccc2=NC1 ZINC000095758050 FC Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CC(=O)O)C[C@H]1CC1=c2ccccc2=NC1 ZINC000095758052 FC Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CC(=O)O)[C@H](CC2=c3ccccc3=NC2)C1 ZINC000095758058 FC Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CC(=O)O)[C@@H](CC2=c3ccccc3=NC2)C1 ZINC000095758060 FC Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)O)O[C@@H](CO)[C@H]1O2 ZINC000095793891 FC Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)O)O[C@@H](CO)[C@@H]1O2 ZINC000095793976 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)O)O[C@@H](CO)[C@H]1O2 ZINC000095793979 FC Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)O)O[C@@H](CO)[C@H]1O2 ZINC000095793986 FC Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)O)O[C@H](CO)[C@@H]1O2 ZINC000095793988 FC Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)O)O[C@H](CO)[C@H]1O2 ZINC000095793992 FC Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)O)O[C@H](CO)[C@@H]1O2 ZINC000095794197 FC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 ZINC000095794208 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)O)O[C@@H](CO)[C@@H]1O2 ZINC000095794226 FC Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)O)O[C@@H](CO)[C@@H]1O2 ZINC000095794236 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)O)O[C@H](CO)[C@@H]1O2 ZINC000095794310 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)O)O[C@H](CO)[C@H]1O2 ZINC000095794314 FC Annotated Anodyne CS(=O)(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CC1)C2 ZINC000095794315 FC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 ZINC000095794483 FC Annotated Anodyne CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CC1)C2 ZINC000095794559 FC Annotated Anodyne CS(=O)(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)C1CC1)C2 ZINC000095794561 FC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 ZINC000095794565 FC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 ZINC000095794587 FC Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)CN(C)C)C2 ZINC000095794638 FC Annotated Anodyne CC(C)NC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CN(C)C)C2 ZINC000095794639 FC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 ZINC000095794663 FC Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cnccn1 ZINC000095794668 FC Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CN(C)C)C2 ZINC000095794700 FC Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cnccn1 ZINC000095794819 FC Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cnccn1 ZINC000095794823 FC Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095794826 FC Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095794828 FC Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095794866 FC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCC1CC1 ZINC000095794868 FC Annotated Anodyne COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095794975 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095795010 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095795011 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095795013 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095795014 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095795017 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095795018 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095795019 FC Annotated Mild CN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095795564 FC Annotated Anodyne COCC(=O)N1CC2(CN[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095795922 FC Annotated Anodyne COCC(=O)N1CC2(CN[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095795924 FC Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095796619 FC Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095796620 FC Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095796637 FC Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095796638 FC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 ZINC000095797216 FC Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095797304 FC Annotated Anodyne COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CC4)C[C@H]23)cc1 ZINC000095797334 FC Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CC4)C[C@H]23)cc1 ZINC000095797335 FC Annotated Mild COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797336 FC Annotated Mild CN(C)CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095797399 FC Annotated Anodyne COCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)C4CC4)C[C@@H]23)cc1 ZINC000095797419 FC Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)C4CC4)C[C@@H]23)cc1 ZINC000095797420 FC Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CC4)C[C@@H]23)cc1 ZINC000095797421 FC Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797422 FC Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CC4)C[C@@H]23)cc1 ZINC000095797423 FC Annotated Mild O=C(NC[C@@H]1CC[C@H]2[C@H](CN2C(=O)C2CCOCC2)O1)c1cccnc1 ZINC000095797478 FC Annotated Anodyne O=C(NC[C@@H]1CC[C@H]2[C@H](CN2C(=O)Cc2ccncc2)O1)C1CCOCC1 ZINC000095797540 FC Annotated Anodyne O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2C(=O)C2CCOCC2)O1)c1cccnc1 ZINC000095797658 FC Annotated Anodyne O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2C(=O)Cc2ccncc2)O1)C1CCOCC1 ZINC000095797754 FC Annotated Anodyne CNC[C@@H]1Oc2ncc(C#CCN(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095848417 FC Annotated Mild C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C ZINC000095850366 FC Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C ZINC000095850367 FC Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)OCc2cnnn2CCCC1=O ZINC000095853430 FC Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C ZINC000095853924 FC Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C ZINC000095854516 FC Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C ZINC000095854518 FC Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C ZINC000095855171 FC Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C ZINC000095856074 FC Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C ZINC000095856655 FC Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)OCc2cn(nn2)CCCC1=O ZINC000095857455 FC Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C ZINC000095859766 FC Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C ZINC000095860621 FC Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)OCc2cn(nn2)CCCC1=O ZINC000095860624 FC Annotated Anodyne O=C(NC[C@H]1CC[C@H]2[C@H](CN2C(=O)C2CCOCC2)O1)c1cccnc1 ZINC000095864440 FC Annotated Anodyne COCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095866002 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095866003 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC(C)C)cc1)[C@@H]2CO ZINC000095866006 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@H]2C1 ZINC000095866007 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC(C)C)cc1)[C@@H]2CO ZINC000095866022 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095866023 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@H]2C1 ZINC000095866024 FC Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095866025 FC Annotated Mild O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCC1CC1 ZINC000095866987 FC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)NCCc1cscn1 ZINC000095869168 FC Annotated Anodyne CCS(=O)(=O)N[C@H]1C=C[C@H](CC(=O)Nc2ccccc2)O[C@H]1CO ZINC000095869209 FC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)NCCc1cscn1 ZINC000095869242 FC Annotated Anodyne O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2C(=O)Cc2ccncc2)O1)C1CCOCC1 ZINC000095869284 FC Annotated Anodyne O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2C(=O)C2CCOCC2)O1)c1cccnc1 ZINC000095869374 FC Annotated Anodyne O=C(NC[C@H]1CC[C@H]2[C@H](CN2C(=O)Cc2ccncc2)O1)C1CCOCC1 ZINC000095869379 FC Annotated Anodyne CN(C)CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095871899 FC Annotated Anodyne COC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCCC1 ZINC000095879237 FC Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CCCC1 ZINC000095879238 FC Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cncnc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095879650 FC Annotated Anodyne CCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]21 ZINC000095879651 FC Annotated Anodyne O=C(NCc1cccc(F)c1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2 ZINC000095880336 FC Annotated Anodyne O=C(NCc1cccc(F)c1)[C@H]1[C@@H]2N[C@@H](Cn3c2cccc3=O)[C@@H]1CO ZINC000095880337 FC Annotated Anodyne CCC(=O)N1[C@@H]2c3cccc(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 ZINC000095880501 FC Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO ZINC000095880502 FC Annotated Anodyne O=C([C@H]1[C@@H]2N[C@@H](Cn3c2cccc3=O)[C@@H]1CO)N1CCc2ccccc2C1 ZINC000095881544 FC Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2)N1CCc2ccccc2C1 ZINC000095881545 FC Annotated Anodyne CN(C)C(=O)[C@@H]1N[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095881633 FC Annotated Anodyne CN(C)C(=O)[C@H]1N[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095881634 FC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CC2)O1)NCC1CC1 ZINC000095884803 FC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CC2)O1)NCC1CC1 ZINC000095884804 FC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CC2)O1)NCC1CC1 ZINC000095884805 FC Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CC2)O1)NCC1CC1 ZINC000095884806 FC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CC2)O1)NCC1CC1 ZINC000095884807 FC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CC2)O1)NCC1CC1 ZINC000095884808 FC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CC2)O1)NCC1CC1 ZINC000095884809 FC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095885277 FC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095885278 FC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095885279 FC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095885280 FC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095885281 FC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095885282 FC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095885283 FC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095885284 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCOCC2)O1 ZINC000095885831 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCOCC2)O1 ZINC000095885832 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCOCC2)O1 ZINC000095885833 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCOCC2)O1 ZINC000095885834 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCOCC2)O1 ZINC000095885835 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCOCC2)O1 ZINC000095885836 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCOCC2)O1 ZINC000095885837 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1 ZINC000095887002 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1 ZINC000095887003 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1 ZINC000095887004 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1 ZINC000095887005 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1 ZINC000095887006 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1 ZINC000095887007 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1 ZINC000095887008 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1 ZINC000095887009 FC Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@@H]21 ZINC000095887031 FC Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@@H]21 ZINC000095887032 FC Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000095887033 FC Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000095887034 FC Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000095887035 FC Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@H]21 ZINC000095887036 FC Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)N3CCCCC3)CC[C@@H]21 ZINC000095887037 FC Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)N3CCCCC3)CC[C@@H]21 ZINC000095887038 FC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1 ZINC000095887201 FC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1 ZINC000095887202 FC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1 ZINC000095887203 FC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccncc2)O1 ZINC000095887204 FC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccncc2)O1 ZINC000095887205 FC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccncc2)O1 ZINC000095887206 FC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccncc2)O1 ZINC000095887207 FC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccncc2)O1 ZINC000095887208 FC Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NC1Cc2ccccc2C1 ZINC000095887224 FC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NC1Cc2ccccc2C1 ZINC000095887225 FC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NC1Cc2ccccc2C1 ZINC000095887226 FC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)NC1Cc2ccccc2C1 ZINC000095887227 FC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NC1Cc2ccccc2C1 ZINC000095887228 FC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NC1Cc2ccccc2C1 ZINC000095887229 FC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NC1Cc2ccccc2C1 ZINC000095887230 FC Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NC1Cc2ccccc2C1 ZINC000095887231 FC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)N1CCc2ccccc2C1 ZINC000095887642 FC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)N1CCc2ccccc2C1 ZINC000095887643 FC Annotated Anodyne O=C(C[C@@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)N1CCc2ccccc2C1 ZINC000095887644 FC Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)N1CCc2ccccc2C1 ZINC000095887645 FC Annotated Anodyne O=C(C[C@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)N1CCc2ccccc2C1 ZINC000095887646 FC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)N1CCc2ccccc2C1 ZINC000095887647 FC Annotated Anodyne O=C(C[C@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)N1CCc2ccccc2C1 ZINC000095887648 FC Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2NC[C@H](O)COC[C@H]2O1)N1CCc2ccccc2C1 ZINC000095887649 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095887792 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095887793 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095887794 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095887795 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095887796 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095887797 FC Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)C2CCCC2)O1 ZINC000095887798 FC Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095893863 FC Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095893864 FC Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095893865 FC Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095893866 FC Annotated Anodyne COCC(=O)N1[C@H](CNC(=O)c2ccccn2)[C@H](c2ccccc2)[C@@H]1CO ZINC000095894984 FC Annotated Anodyne COCC(=O)N1[C@H](CNC(=O)c2ccccn2)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095894985 FC Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)CN(C)C ZINC000095895037 FC Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)CN(C)C ZINC000095895038 FC Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)CN(C)C ZINC000095895039 FC Annotated Anodyne CC(C)NC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)CN(C)C ZINC000095895040 FC Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CNC(=O)CN(C)C ZINC000095895041 FC Annotated Anodyne CC(C)NC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)CN(C)C ZINC000095895042 FC Annotated Anodyne CC(C)NC(=O)N1[C@H](CNC(=O)CN(C)C)[C@H](c2ccccc2)[C@@H]1CO ZINC000095895669 FC Annotated Anodyne CC(C)NC(=O)N1[C@H](CNC(=O)CN(C)C)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095895670 FC Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)c1ccccn1 ZINC000095895821 FC Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccn1 ZINC000095895822 FC Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CNC(=O)c1ccccn1 ZINC000095895823 FC Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccn1 ZINC000095895824 FC Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccn1 ZINC000095895825 FC Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)c1ccccn1 ZINC000095895826 FC Annotated Anodyne CCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)COC)S(C)(=O)=O ZINC000095895883 FC Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)COC)S(C)(=O)=O ZINC000095895884 FC Annotated Anodyne CCN(C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)COC)S(C)(=O)=O ZINC000095895885 FC Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)COC)S(C)(=O)=O ZINC000095895886 FC Annotated Anodyne CCN(C[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)COC)S(C)(=O)=O ZINC000095895887 FC Annotated Anodyne CCN(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)COC)S(C)(=O)=O ZINC000095895888 FC Annotated Anodyne CCN(C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)COC)S(C)(=O)=O ZINC000095895889 FC Annotated Anodyne CCN(C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)COC)S(C)(=O)=O ZINC000095895890 FC Annotated Anodyne CC(C)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)CN1CCOCC1 ZINC000095895960 FC Annotated Anodyne CC(C)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccccc1)C(=O)CN1CCOCC1 ZINC000095895961 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)OC)O[C@@H](CO)[C@H]1O2 ZINC000095900056 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)OC)O[C@H](CO)[C@@H]1O2 ZINC000095900057 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)OC)O[C@@H](CO)[C@H]1O2 ZINC000095900058 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)OC)O[C@H](CO)[C@H]1O2 ZINC000095900059 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)OC)O[C@@H](CO)[C@@H]1O2 ZINC000095900060 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)OC)O[C@H](CO)[C@H]1O2 ZINC000095900061 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)O)O[C@@H](CO)[C@@H]1O2 ZINC000095901181 FC Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)O)O[C@H](CO)[C@H]1O2 ZINC000095901182 FC Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901404 FC Annotated Clean COCCNC(=O)C[C@@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901405 FC Annotated Clean COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901406 FC Annotated Clean COCCNC(=O)C[C@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901407 FC Annotated Clean COCCNC(=O)C[C@@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901408 FC Annotated Clean COCCNC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901409 FC Annotated Clean COCCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095903450 FC Annotated Anodyne COCCNC(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095903451 FC Annotated Anodyne COCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095903452 FC Annotated Anodyne COCCNC(=O)C[C@@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095903453 FC Annotated Anodyne COCCNC(=O)C[C@@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095903454 FC Annotated Anodyne COCCNC(=O)C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095903455 FC Annotated Anodyne COCCNC(=O)C[C@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1 ZINC000095903456 FC Annotated Anodyne COCCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1 ZINC000095903457 FC Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095903459 FC Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095903460 FC Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095903461 FC Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095903462 FC Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095903463 FC Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095903464 FC Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1 ZINC000095903465 FC Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1 ZINC000095903466 FC Annotated Anodyne O=C(NC1CCCC1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO ZINC000095903467 FC Annotated Anodyne O=C(NC1CCCC1)N[C@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO ZINC000095903468 FC Annotated Anodyne O=C(NC1CCCC1)N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO ZINC000095903469 FC Annotated Anodyne O=C(NC1CCCC1)N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO ZINC000095903470 FC Annotated Anodyne O=C(NC1CCCC1)N[C@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO ZINC000095903473 FC Annotated Anodyne O=C(NC1CCCC1)N[C@@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO ZINC000095903475 FC Annotated Anodyne O=C(NC1CCCC1)N[C@H]1C=C[C@H](CC(=O)N2CCOCC2)O[C@H]1CO ZINC000095903476 FC Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903477 FC Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903478 FC Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903479 FC Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903480 FC Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903481 FC Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903482 FC Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903483 FC Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903484 FC Annotated Anodyne O=C(NC1CCCC1)N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO ZINC000095903486 FC Annotated Anodyne O=C(NC1CCCC1)N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO ZINC000095903487 FC Annotated Anodyne O=C(NC1CCCC1)N[C@@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@H]1CO ZINC000095903488 FC Annotated Anodyne O=C(NC1CCCC1)N[C@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO ZINC000095903489 FC Annotated Anodyne O=C(NC1CCCC1)N[C@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO ZINC000095903490 FC Annotated Anodyne O=C(NC1CCCC1)N[C@@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@@H]1CO ZINC000095903491 FC Annotated Anodyne O=C(NC1CCCC1)N[C@H]1CC[C@H](CC(=O)N2CCOCC2)O[C@H]1CO ZINC000095903492 FC Annotated Anodyne O=C(NC1CCCC1)N[C@@H]1CC[C@@H](CC(=O)N2CCOCC2)O[C@@H]1CO ZINC000095903493 FC Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095903494 FC Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095903495 FC Annotated Anodyne CCS(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095903496 FC Annotated Anodyne CCS(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095903497 FC Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095903639 FC Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095903640 FC Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095903641 FC Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095903642 FC Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095903643 FC Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095903644 FC Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095903645 FC Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095903646 FC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1 ZINC000095904011 FC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1 ZINC000095904012 FC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1 ZINC000095904013 FC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1 ZINC000095904014 FC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095904124 FC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095904125 FC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095904126 FC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095904127 FC Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095904128 FC Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095904129 FC Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095904130 FC Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095904131 FC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1 ZINC000095904385 FC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1 ZINC000095904386 FC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1 ZINC000095904387 FC Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1 ZINC000095904388 FC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095905159 FC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095905160 FC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095905161 FC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095905162 FC Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095905163 FC Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095905164 FC Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NCc1ccncc1 ZINC000095905165 FC Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NCc1ccncc1 ZINC000095905166 FC Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906341 FC Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906342 FC Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906343 FC Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906344 FC Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906345 FC Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906346 FC Annotated Anodyne O=C(Cc1ccccn1)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906347 FC Annotated Anodyne O=C(Cc1ccccn1)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906348 FC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 ZINC000095906409 FC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095906410 FC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 ZINC000095906411 FC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095906412 FC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 ZINC000095906413 FC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095906414 FC Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 ZINC000095906415 FC Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095906416 FC Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 ZINC000095906543 FC Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095906544 FC Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 ZINC000095906545 FC Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095906546 FC Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 ZINC000095906547 FC Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095906548 FC Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](CO)O1 ZINC000095906549 FC Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](CO)O1 ZINC000095906550 FC Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095906900 FC Annotated Anodyne CCC(=O)N[C@H]1C=C[C@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095906901 FC Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095906902 FC Annotated Anodyne CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095906903 FC Annotated Anodyne CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095906904 FC Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095906905 FC Annotated Anodyne CCC(=O)N[C@H]1C=C[C@H](CC(=O)NCCN2CCCCC2)O[C@H]1CO ZINC000095906906 FC Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCCN2CCCCC2)O[C@@H]1CO ZINC000095906907 FC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCN2CCCC2)O[C@H]1CO ZINC000095907486 FC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)NCCN2CCCC2)O[C@@H]1CO ZINC000095907487 FC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CC(=O)NCCN2CCCC2)O[C@H]1CO ZINC000095907488 FC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)NCCN2CCCC2)O[C@@H]1CO ZINC000095907489 FC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CC(=O)NCCN2CCCC2)O[C@H]1CO ZINC000095907490 FC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CC(=O)NCCN2CCCC2)O[C@@H]1CO ZINC000095907491 FC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CC(=O)NCCN2CCCC2)O[C@H]1CO ZINC000095907492 FC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CC(=O)NCCN2CCCC2)O[C@@H]1CO ZINC000095907493 FC Annotated Anodyne CCS(=O)(=O)N[C@@H]1C=C[C@@H](CC(=O)NCC2CCCCC2)O[C@@H]1CO ZINC000095907647 FC Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095907818 FC Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095907819 FC Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095907820 FC Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095907821 FC Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095907822 FC Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095907823 FC Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095907824 FC Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095907825 FC Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095907994 FC Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095907995 FC Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095907996 FC Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095907997 FC Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095907998 FC Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095907999 FC Annotated Anodyne CCNC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1 ZINC000095908000 FC Annotated Anodyne CCNC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](CO)O1 ZINC000095908001 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095908047 FC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095908048 FC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095908049 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095908050 FC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095908051 FC Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1 ZINC000095908052 FC Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095908053 FC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095908197 FC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095908198 FC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095908199 FC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095908200 FC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095908201 FC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095908202 FC Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095908203 FC Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095908204 FC Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@]2(O)CCC(=O)C[C@@H]12 ZINC000095909472 FC Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)C(C)C)[C@@](C)(O)[C@@H]1CC(=O)[C@@](C)(O)[C@H]21 ZINC000095909539 FC Annotated Mild in-vitro biogenic CO[C@H]1N[C@H]([C@H](O)CCC2=C(CCCCO)CCCC2=O)[C@@H](O)[C@@H]1O ZINC000095909870 FC Annotated Mild in-vitro biogenic COc1ccc(/C=C\C(=O)O[C@H]2[C@H](O)[C@H](C)O[C@@H](O)[C@@H]2OC(C)=O)cc1 ZINC000095909897 FC Annotated Anodyne in-vitro biogenic CCCC(=O)OC[C@@]1(C)[C@@H]2[C@H](O)C[C@@H](C)[C@]23C[C@@H](OC(=O)[C@@H]3O)[C@]1(C)O ZINC000095909919 FC Annotated Anodyne in-vitro biogenic CC1=C(Cl)C(=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 ZINC000095910085 FC Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]4O[C@H](O)[C@]5(CC[C@H](O)C(C)(C)[C@H]5[C@@H]4O)[C@@H]2CC[C@@H]1[C@H]3O ZINC000095910154 FC Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]4O[C@@H](O)[C@]5(CC[C@H](O)C(C)(C)[C@H]5[C@@H]4O)[C@@H]2CC[C@@H]1[C@H]3O ZINC000095910155 FC Annotated Mild in-vitro biogenic COC1=CC(=O)[C@]2(CC[C@@]34C(OC)=C(OC)C(=O)C[C@@]23CCN4C)[C@H]1O ZINC000095910360 FC Annotated Mild C[C@H]1CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000095910555 FC Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5O)[C@@]3([C@H]1O)[C@@H]2O ZINC000095911199 FC Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](O)OC[C@]234)[C@@H]1O ZINC000095911257 FC Annotated Mild in-vitro biogenic C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)[C@]1(C)CO1)C[C@H](C)[C@]1(O)C=CC(=O)[C@@]21C ZINC000095911338 FC Annotated Mild in-vitro biogenic CCO[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@@H](OC)[C@H]1O ZINC000095911415 FC Annotated Anodyne in-vitro biogenic CC1(C)CC[C@H](O)[C@@]2(CO)[C@@H]3CC[C@H]4[C@@H](CO)C(=O)[C@]3([C@H](O)C[C@H]12)[C@@H]4O ZINC000095911466 FC Annotated Anodyne in-vitro biogenic CC1=C(C=O)[C@@H]2C[C@@H]3N[C@@H](C[C@@]34C(=O)N(C)c3ccccc34)[C@]2(O)CO1 ZINC000095911956 FC Annotated Reactive in-vitro biogenic CC(=O)C1=COC[C@@]2(O)[C@@H]3C[C@@]4(C(=O)N(C)c5ccccc54)[C@H](C[C@@H]12)N3 ZINC000095911957 FC Annotated Mild in-vitro biogenic CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@H]6O)[C@@H](C[C@@H]32)[C@@H]14 ZINC000095911984 FC Annotated Anodyne in-vitro biogenic COC1=C[C@]23CCC[N+]2([O-])C[C@H](O)c2cc4c(cc2[C@]3(O)[C@@H]1O)OCO4 ZINC000095911988 FC Annotated Bother in-vitro biogenic CC1=CC(=O)[C@@H](O)[C@@]2(C)C1=C(O)C(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000095912021 FC 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@H](O)C[C@H]12 ZINC000095912054 FC Annotated Mild in-vitro biogenic C[C@H](CO)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O ZINC000095912264 FC Annotated Anodyne in-vitro biogenic C[C@@H](CO)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O ZINC000095912265 FC Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12CCC[C@](C)(CO)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000095912744 FC Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)[C@@H](O)[C@@H]2C(C)(C)[C@@]4(O)CC(=O)[C@@]32CO4)[C@@H]1O ZINC000095912757 FC 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]1[C@H](O)[C@@]3(O)OC2 ZINC000095913309 FC Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](C(=O)[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(C=O)[C@H]1C[C@H]3O ZINC000095913414 FC Annotated Mild in-vitro biogenic C=C1[C@@H]2CC[C@@H]3[C@@](C2)([C@@H]1O)[C@]1(O)OC[C@]32CC[C@H](O)[C@@](C)(CO)[C@H]2[C@@H]1O ZINC000095913443 FC Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@@H](O)[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5O)[C@]3(C2)[C@@H]1O ZINC000095913876 FC Annotated Mild in-vitro biogenic COc1ccc(/C=C\C(=O)O[C@H]2[C@H](O)O[C@@H](C)[C@@H](O)[C@H]2OC(C)=O)cc1 ZINC000095913902 FC Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23[C@@H]4[C@@]5(CCC[C@](C)(C=O)[C@H]5C[C@H]2O)CO[C@]4(O)C[C@@H]1[C@H]3O ZINC000095914209 FC Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12[C@@H](O)CC[C@@](C)(CO[C@H]1O)[C@H]2C[C@H]3O ZINC000095914741 FC Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]([C@@H](O)[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000095914748 FC Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](C(=O)[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000095914750 FC Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(OC5)[C@@]3([C@@H]1O)[C@@H]2O ZINC000095914890 FC Annotated Mild in-vitro biogenic C[C@]12CC[C@]3(O)C[C@@]1(CC[C@H]1[C@@]24C[C@@H](O)C[C@@]1(C)C(=O)O4)C(=O)[C@@H]3CO ZINC000095918989 FC Annotated Anodyne in-vitro biogenic C[C@@H]1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@H](O)[C@]52[C@@H]3CC[C@@H]14 ZINC000095919434 FC Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12CCC[C@@]4(C)CO[C@@H]1O[C@]3(O)[C@@H](O)[C@H]42 ZINC000095919435 FC Annotated Mild in-vitro biogenic O=C1[C@@H](O)[C@H](O)C[C@](O)(C(=O)O)[C@@H]1Cc1c(F)c(F)c(F)c(F)c1F ZINC000095920626 FC Annotated Anodyne Nc1c(NS(=O)(=O)c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000095920862 FC Annotated Anodyne CC1(C)S[C@@H]([C@@H](C=O)NC(=O)[C@H](N)c2ccccc2)N[C@H]1C(=O)O ZINC000095921040 FC Annotated Mild C[n+]1cn(CCCCC(=O)O)c2nc(NCCCCC(=O)O)nc(O)c21 ZINC000095921276 FC Annotated Anodyne O=S1(=O)CCOC[C@@H](CO)N1Cc1cccc(Br)c1 ZINC000096019065 FC Annotated Anodyne O=S1(=O)CCOC[C@H](CO)N1Cc1cccc(Br)c1 ZINC000096019066 FC Annotated Anodyne C#CCN1C[C@@H](N(C)CCOC(=O)c2ccc(F)cc2)CS1(=O)=O ZINC000096020614 FC Annotated Anodyne C#CCN1C[C@H](N(C)CCOC(=O)c2ccc(F)cc2)CS1(=O)=O ZINC000096020615 FC Annotated Anodyne COCCCn1cc(CN2C[C@H](N3CCCCC3)CS2(=O)=O)nn1 ZINC000096020785 FC Annotated Anodyne COCCCn1cc(CN2C[C@@H](N3CCCCC3)CS2(=O)=O)nn1 ZINC000096020786 FC Annotated Anodyne O=S1(=O)C[C@@H](N2CCCC2)CN1Cc1cn(Cc2ccccc2)nn1 ZINC000096020819 FC Annotated Anodyne O=S1(=O)C[C@H](N2CCCC2)CN1Cc1cn(Cc2ccccc2)nn1 ZINC000096020820 FC Annotated Anodyne CCN(C)[C@@H]1CN(Cc2cn(Cc3ccc(F)cc3)nn2)S(=O)(=O)C1 ZINC000096020996 FC Annotated Anodyne CCN(C)[C@H]1CN(Cc2cn(Cc3ccc(F)cc3)nn2)S(=O)(=O)C1 ZINC000096020997 FC Annotated Anodyne CN(C)[C@@H]1CN(Cc2cn(Cc3ccc(F)cc3)nn2)S(=O)(=O)C1 ZINC000096021018 FC Annotated Anodyne CN(C)[C@H]1CN(Cc2cn(Cc3ccc(F)cc3)nn2)S(=O)(=O)C1 ZINC000096021019 FC Annotated Anodyne CN(C)[C@H]1CCN([C@H]2CS(=O)(=O)N[C@@H]2COCc2ccccc2)C1 ZINC000096021042 FC Annotated Anodyne COC[C@H]1CCCN1[C@H]1CS(=O)(=O)N[C@@H]1COCc1ccccc1 ZINC000096021043 FC Annotated Anodyne COC[C@@H]1CCCN1[C@H]1CS(=O)(=O)N[C@@H]1COCc1ccccc1 ZINC000096021044 FC Annotated Anodyne CN(C)[C@H]1CCN([C@@H]2CS(=O)(=O)N[C@H]2COCc2ccccc2)C1 ZINC000096021047 FC Annotated Anodyne COC[C@@H]1CCCN1[C@@H]1CS(=O)(=O)N[C@H]1COCc1ccccc1 ZINC000096021048 FC Annotated Anodyne CN1CCC(N2CCN([C@@H]3CN(C4CCCC4)S(=O)(=O)C3)CC2)CC1 ZINC000096021078 FC Annotated Anodyne CN1CCC(N2CCN([C@H]3CN(C4CCCC4)S(=O)(=O)C3)CC2)CC1 ZINC000096021079 FC Annotated Anodyne C[C@@H]1COc2cccc(NCCCN3CCOCC3)c2S(=O)(=O)N1 ZINC000096021129 FC Annotated Anodyne C[C@@H]1COc2cc(NCCCN3CCOCC3)ccc2S(=O)(=O)N1 ZINC000096021135 FC Annotated Anodyne C[C@H]1COc2cc(NCCCN3CCOCC3)ccc2S(=O)(=O)N1 ZINC000096021140 FC Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N1C[C@H](N2CCCC2)CS1(=O)=O ZINC000096021298 FC Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N1C[C@@H](N2CCCC2)CS1(=O)=O ZINC000096021299 FC Annotated Anodyne CC(C)NC(=O)N1CCN(S(=O)(=O)C2CC2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036124 FC Annotated Anodyne CC(C)NC(=O)N1CCN(S(=O)(=O)C2CC2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096036125 FC Annotated Anodyne Cn1cc(CN2CCn3c(CNC(=O)c4cccn4C)cnc3C2)cn1 ZINC000096061946 FC Annotated Anodyne Cc1cnc(CNC(=O)[C@@]23CCO[C@@H]2CCN(c2ncccn2)C3)cn1 ZINC000096064866 FC Annotated Anodyne CNC(=O)[C@@]12CCCN(c3ncccn3)[C@@H]1CN(c1ncc(C)cn1)C2 ZINC000096083022 FC Annotated Anodyne C/C=C\[C@H](C)[C@H]1O[C@]1(C)[C@@H](O)[C@@H](CO)C(=O)[C@@H]1CO[C@](O)(CC)C[C@@H]1O ZINC000096085591 FC Annotated Anodyne in-vitro C/C=C\[C@H](C)[C@H]1O[C@]1(C)[C@@H](O)[C@@H](CO)C(=O)[C@@H]1CO[C@@](O)(CC)C[C@@H]1O ZINC000096085592 FC Annotated Anodyne in-vitro CC1(C)CCC[C@]23C(=O)O[C@@]4([C@H]5[C@H](CO)[C@@]5(C)CC[C@@]42O)[C@@H](O)C(=O)[C@@H]13 ZINC000096086182 FC Annotated Anodyne NC(=O)CC[C@H](Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O ZINC000096086646 FC Annotated Bother in-vitro Cc1cccc(C(=O)N2CCn3c(CN4CCN(C)CC4)cnc3C2)n1 ZINC000096087568 FC Annotated Anodyne CS(=O)(=O)N1CC[C@H]2O[C@H](C(=O)NCCc3ccccn3)CC[C@H]21 ZINC000096089003 FC Annotated Anodyne Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(CC1CC1)CCC2 ZINC000096100563 FC Annotated Anodyne COc1ncccc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccno2)C1 ZINC000096110968 FC Annotated Anodyne O=C1COC2(CCN(C(=O)[C@H]3CCCO3)CC2)CN1Cc1ccccn1 ZINC000096159116 FC Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc(CN(C)CC(=O)O)c(O)c2=O)cc1 ZINC000096173251 FC Annotated Anodyne O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCN(C3CCC3)CC2)ncn1 ZINC000096176108 FC Annotated Anodyne CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2N1C(C)=O ZINC000096182763 FC Annotated Anodyne CC(C)NC(=O)N1CC[C@]2(COCc3cnc(N4CCOCC4)nc32)C1 ZINC000096244204 FC Annotated Anodyne CC(C)NC(=O)N1CC[C@@]2(COCc3cnc(N4CCOCC4)nc32)C1 ZINC000096244205 FC Annotated Anodyne CC(C)CNC(=O)[C@H]1CCS(=O)(=O)[C@@H]2CN(c3ncccn3)C[C@H]12 ZINC000096250965 FC Annotated Anodyne O=C(CN1C(=O)C2(OCCCO2)c2cc(Br)ccc21)NO ZINC000096258366 FC Annotated Bother Cn1cnc(S(=O)(=O)N2CCCn3cnc(CN4CCCC4)c3C2)c1 ZINC000096259337 FC Annotated Anodyne CC(C)NC(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(C(=O)N(C)C)C[C@H]12 ZINC000096262211 FC Annotated Anodyne CC(C)NC(=O)N1CCC2(CC1)[C@@H]1CN(C(=O)N(C)C)C[C@@H]1C(=O)N2C ZINC000096262286 FC Annotated Anodyne CCN1C[C@H]2C3(CCN(S(C)(=O)=O)CC3)CC[C@@]2(C(=O)N(C)C)C1 ZINC000096262451 FC Annotated Anodyne COc1ccc(C(=O)N(O)CCOC(=O)[C@@H](N)CCSC)cc1O ZINC000096299873 FC Annotated Anodyne COc1cc(C(=O)N(O)CCOC(=O)[C@@H](N)CCSC)ccc1O ZINC000096299874 FC Annotated Anodyne O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1C[C@@]34C[C@@H](N2)S[C@@]4(O)C[C@H]1O ZINC000096888330 FC Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13OCO[C@H]1C(CO)(CO)C(=O)[C@@]23C ZINC000096888367 FC Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]2(O)CBr)[C@]2(C)C(=O)C=C[C@@]12O ZINC000096888415 FC Annotated Reactive C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@@]2(O)CBr)[C@]2(C)C(=O)C=C[C@@]12O ZINC000096888416 FC Annotated Reactive COc1ccc(CC(=O)N(O)CCOC(=O)[C@@H](N)CCSC)cc1O ZINC000096900540 FC Annotated Anodyne CC(=O)O[C@H]1[C@@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@H]4O[C@@]14C)O[C@H]23 ZINC000096901748 FC Annotated Anodyne CC(=O)O[C@H]1[C@@H]2OC(=O)C(C)=C2[C@@H]2OC(=O)[C@]3(CC[C@@H]4O[C@]41C)O[C@H]23 ZINC000096901749 FC Annotated Anodyne Nc1c(/N=N/c2ccccc2)c(=O)nc2sc(S(N)(=O)=O)nn12 ZINC000096907266 FC Annotated Clean COc1ccc(/C=C2\C(=O)N=C3SC(S(N)(=O)=O)=NN32)cc1OC ZINC000096907283 FC Annotated Anodyne Cn1c(-n2nccn2)nc2c(N)nc(NCCc3ccc(O)cc3)nc21 ZINC000096907705 FC Annotated Anodyne Cn1c(-n2ccnn2)nc2c(N)nc(NCCc3ccc(O)cc3)nc21 ZINC000096907706 FC Annotated Anodyne CCOC(=O)c1cn(C[C@H](O)Cn2cncn2)c2c(F)cccc2c1=O ZINC000096909045 FC Annotated Anodyne CCOC(=O)c1cn(C[C@@H](O)Cn2cncn2)c2c(F)cccc2c1=O ZINC000096909046 FC Annotated Anodyne O=C(O)c1cn(C[C@H](O)Cn2cncn2)c2c(F)cc(F)cc2c1=O ZINC000096909047 FC Annotated Anodyne O=C(O)c1cn(C[C@@H](O)Cn2cncn2)c2c(F)cc(F)cc2c1=O ZINC000096909048 FC Annotated Anodyne CCOC(=O)c1cn(C[C@H](O)Cn2cncn2)c2ccc(F)cc2c1=O ZINC000096909275 FC Annotated Anodyne CCOC(=O)c1cn(C[C@@H](O)Cn2cncn2)c2ccc(F)cc2c1=O ZINC000096909276 FC Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCNOCC3)c(F)c2)C(=O)O1 ZINC000096910065 FC Annotated Anodyne NC(=S)N/N=C(\CNC(=O)CCC(=O)O)c1ccc([N+](=O)[O-])cc1 ZINC000096910469 FC Annotated Mild CCC[C@H]1O[C@H](CC(=O)O)C[C@@]2(O)C(=O)c3cccc(O)c3C(=O)[C@@]12O ZINC000096921447 FC Annotated Clean CCC[C@H]1O[C@H](CC(=O)O)C[C@]2(O)C(=O)c3cccc(O)c3C(=O)[C@@]12O ZINC000096921448 FC Annotated Clean N#Cc1c(N)nc2c(C#N)c(N3CCOCC3)nn2c1N1CCCCC1 ZINC000096928789 FC Annotated Mild O[C@H]1[C@H](O)CO[C@@H](OCCOCCOc2ccc3ccccc3c2)[C@@H]1O ZINC000096929401 FC Annotated Anodyne COc1ccc(NC(=S)NN/C=C2\C(=O)NC(=S)N=C2O)cc1 ZINC000096930166 FC Annotated Clean Cn1c(=O)n(CCOC(=O)CNC(=O)c2ccco2)c(=O)c2ccccc21 ZINC000096934413 FC Annotated Anodyne O=C(CCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN(CCO)CC1 ZINC000096935510 FC Annotated Bother N/C(=N\O)c1ccc(-c2cncc(-c3ccc(/C(N)=N/O)cn3)n2)nc1 ZINC000096938478 FC Annotated Mild N/C(=N\O)c1ccc(-c2cncc(-c3ccc(/C(N)=N\O)nc3)n2)cn1 ZINC000096938734 FC Annotated Mild COC(=O)c1cccc(Sc2c(C)c(=O)[nH]c(=O)n2OCCO)c1 ZINC000098085783 FC Annotated Anodyne NCc1ccc(NC(=O)[C@@H]2CC[C@H]3CN2C(=O)N3OS(=O)(=O)O)cc1 ZINC000098192861 FC Annotated Mild