CC1(C)CC(N(N=O)C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC(C)(C)N1[O] ZINC000100659786 HA Annotated Reactive CC1(C)CC(N(N=O)C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC(C)(C)N1[O] ZINC000100659788 HA Annotated Reactive C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O ZINC000100782593 HA Annotated Anodyne in-man endogenous C[C@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O ZINC000100782596 HA Annotated Anodyne in-man endogenous C[C@@H](O)/C=C/[C@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O ZINC000100782599 HA Annotated Anodyne in-man endogenous C[C@H](O)/C=C/[C@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O ZINC000100782602 HA Annotated Anodyne in-man endogenous CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N(CCN)CCN)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100799645 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCNCCO)C(C)=C1O)[C@@H]2COC(N)=O ZINC000100800580 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCNCCO)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100800582 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCNCCN)C(C)=C1O)[C@@H]2COC(N)=O ZINC000100801233 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCNCCN)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100801235 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCN(C)C)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100802075 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC[C@H](O)CO)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100802773 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC[C@H](O)CO)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000100802776 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCC(=O)O)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100803419 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCC(=O)O)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000100803422 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCN(C)C)C3=O)N1C[C@H]1N[C@H]12 ZINC000100811800 HA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCN(C)C)C3=O)N1C[C@H]1N[C@H]12 ZINC000100811803 HA Annotated Mild O[C@@H]1[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](O)CO[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)OC[C@@H](O)[C@H]1O ZINC000100827385 HA Annotated Anodyne in-man O[C@@H]1[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](O)CO[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O ZINC000100827387 HA Annotated Anodyne in-man O[C@@H]1[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](O)CO[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)OC[C@@H](O)[C@H]1O ZINC000100827389 HA Annotated Anodyne in-man O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@@H](O)CO[C@@H](O)[C@@H]2O)O[C@@H]1CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100827390 HA Annotated Anodyne in-man CC(=O)OC[C@H](CO[P@@](=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O ZINC000100896839 HA Annotated Anodyne in-vitro CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4OCCO4)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100957074 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC/C=C/CO)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100967516 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC4COCOC4)C3=O)N1C[C@H]1N[C@@H]12 ZINC000100972328 HA Annotated Mild COC(=O)C/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@H]3N[C@H]3[C@]1(OC)[C@H]2COC(N)=O ZINC000100998057 HA Annotated Mild COC(=O)C/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@H]3N[C@H]3[C@@]1(OC)[C@H]2COC(N)=O ZINC000100998058 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCNC(C)=O)C3=O)N1C[C@H]1N[C@@H]12 ZINC000101090501 HA Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O ZINC000101188301 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC[C@H](O)CN)C3=O)N1C[C@H]1N[C@@H]12 ZINC000101228065 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC[C@H](O)CN)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000101228070 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(CSCCO)=C(N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000101228098 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC[C@@H]4COCO4)C3=O)N1C[C@H]1N[C@@H]12 ZINC000101330086 HA Annotated Mild O=C1C[C@@H]2S[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)C[C@H](S1)[C@H](O)[C@H]3N2C4=O ZINC000101455443 HA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCOCCO)C3=O)N1C[C@H]1N[C@@H]12 ZINC000101467168 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C[S@@](=O)C(C)C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000101470900 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C[S@](=O)C(C)C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000101470903 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)/C(=N/CCOCCO)C(C)=C1O)[C@@H]2COC(N)=O ZINC000102156755 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCOCCO)C3=O)N1C[C@H]1N[C@@H]12 ZINC000102156758 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC[C@H](O)CO)C3=O)N1C[C@H]1N[C@@H]12 ZINC000102182874 HA Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@]4(CO4)[C@@H](O)[C@@]4(O)OC[C@]13[C@@H]24 ZINC000102280326 HA Annotated Mild CN[C@@H](C)[C@H](O[P@@](=O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 ZINC000102915352 HA Annotated Anodyne CNC(=S)N1[C@H]2CN3C4=C(C(=O)C(N)=C(C)C4=O)[C@@H](COC(N)=O)[C@@]3(OC)[C@@H]21 ZINC000103108178 HA Annotated Mild O=C1NC(NNC(=O)c2ccncc2)=N[C@@H]2C1=C1CCCN1[C@]2(O)N1CCOCC1 ZINC000103168201 HA Annotated Reactive O=C1NC(NNC(=O)c2ccncc2)=N[C@H]2C1=C1CCCN1[C@]2(O)N1CCOCC1 ZINC000103168204 HA Annotated Reactive CN(CC[C@H](N)CC(=O)N[C@H]1CC[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)O)C(=N)N ZINC000103204889 HA Annotated Anodyne O=C1NC(=O)C(C(=NNc2ccc(C(=O)O)cc2)C2C(=O)NC(=O)NC2=O)C(=O)N1 ZINC000103235938 HA Annotated Mild CC1=C[C@@H](C(=O)NCc2cc(=O)c(O)c[nH]2)N2C[C@@H]1N(OS(=O)(=O)O)C2=O ZINC000103245007 HA Annotated Mild N[C@H]1C[C@@H](N)[C@H](OCC(=O)N2CCCCC2)[C@@H](OCc2cn(CCO)nn2)[C@@H]1O ZINC000103266625 HA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)C[C@@]3(O)[C@@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O ZINC000103277463 HA Annotated Mild CC1=CC(=O)[C@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O ZINC000103540777 HA Annotated Mild in-vitro biogenic CC(=O)N[C@H](C=O)[C@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](NC(C)=O)[C@@H]1O)[C@H](O)[C@H](O)CO ZINC000111445765 HA Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CO)N1[C@@H]3[C@H]2N2CCO[C@H]2[C@@H]2C[C@H]([C@H]1O)N(C)[C@H]32 ZINC000115859593 HA Annotated Mild CC(=O)O[C@@H]1[C@H](N)[C@@H](OP(=O)(O)O)[C@@]2(C(=O)O)CS[C@@](O)(C(N)=O)[C@@H]1O2 ZINC000012504512 HA Annotated Anodyne in-vivo O=C1CCC(=O)N(O)CC[C@@H](O)CNC(=O)CCC(=O)N(O)CC[C@H](O)CN1 ZINC000013310149 HA Annotated Anodyne NC(=O)/C=C(/NC(=O)CNC(=O)[C@@H](O)CO)C(=O)N[C@H]1CN(S(=O)(=O)O)C1=O ZINC000013368881 HA Annotated Anodyne CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)OS(=O)(=O)O)[C@@H]2C1 ZINC000013383693 HA Annotated Anodyne in-vitro CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)OS(=O)(=O)O)[C@H]2C1 ZINC000013383695 HA Annotated Anodyne in-vitro CN1CC[C@H](CC(=O)N[C@@H]2C=C[C@H](n3ccc(N)nc3=O)O[C@@H]2C(=O)O)N=C1N ZINC000013431107 HA Annotated Anodyne in-vitro N=C(N)NCCCCC(=O)NCC(=O)N1CCN(CC(=O)O)C(=O)[C@@H]1CC(=O)O ZINC000013777958 HA Annotated Anodyne N=C(N)c1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CC(N)=O)cc1 ZINC000013777988 HA Annotated Anodyne N=C(N)c1ccc(C(=O)NCC(=O)N2CCN(CC(N)=O)C(=O)[C@@H]2CC(=O)O)cc1 ZINC000013778001 HA Annotated Anodyne NCc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CC(=O)O)cc1 ZINC000013778009 HA Annotated Anodyne CN1[C@H]2CN3C4=C(C(=O)C5(OCCO5)[C@@](C)(Cl)C4=O)[C@H](COC(N)=O)[C@@]3(O)[C@H]21 ZINC000013884860 HA Annotated Mild C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000135763295 HA Annotated Anodyne C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000135987098 HA Annotated Anodyne O=S(=O)(O)OC[C@H]1O[C@H](O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1O ZINC000136252347 HA Annotated Anodyne in-vitro C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@@H](O)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O ZINC000136743228 HA Annotated Anodyne CC[C@@H](CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)C ZINC000137384654 HA Annotated Anodyne C[C@@H](/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000137607409 HA Annotated Anodyne C=C[C@@H](CCCCC)O[C@@H]1O[C@H](CO[C@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000137925868 HA Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)C(=C)[C@@H]1C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@H]21 ZINC000137937473 HA Annotated Mild C[C@@H](O)/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2 ZINC000137940385 HA Annotated Anodyne CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCO)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000138352625 HA Annotated Mild COC(=O)C1=C[C@H](O)[C@H](O)[C@H](O[C@H]2C(C(=O)OC)=C[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1Cl ZINC000139255823 HA Annotated Reactive COC1=C(C)C(=O)[C@@]2(O)C(=C3CO[C@@H]4[C@@H]5C[C@@H]6[C@@H]7OCCN7[C@H]2[C@@H]([C@@H]6N5C)N34)C1=O ZINC000014164264 HA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC/C=C/CO)C3=O)N1C[C@H]1N[C@H]12 ZINC000014233487 HA Annotated Anodyne CC(C)C[C@@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000014417869 HA Annotated Anodyne CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000014417871 HA Annotated Anodyne in-vitro CC(C)C[C@@H](NC(=O)[C@H](O)[C@@H](O)[C@@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000014417873 HA Annotated Anodyne CC(C)C[C@H](NC(=O)[C@H](O)[C@@H](O)[C@@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000014417874 HA Annotated Anodyne CC[C@@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014489277 HA Annotated Mild in-man CC[C@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014489278 HA Annotated Mild in-man CC[C@@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014489280 HA Annotated Mild in-man CC[C@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014489282 HA Annotated Mild in-man C[C@H]1O[C@@H](O[C@H]2C=C[C@@](C#N)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2)C[C@H](O)[C@H]1O ZINC000140031421 HA Annotated Anodyne O=C(N[C@H]1OCC=C1CO)[C@@H](O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000140119550 HA Annotated Anodyne C=C/C(=C/NC(=O)[C@@H](O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O)CO ZINC000140119696 HA Annotated Anodyne COC(=O)CNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000141118453 HA Annotated Mild COC(=O)CNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000141118639 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCCO)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000141128333 HA Annotated Mild CCCCCC(=O)OC[C@H](CO)O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000143530434 HA Annotated Anodyne CCC[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014502582 HA Annotated Mild in-man CCC[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014502585 HA Annotated Mild in-man CCC[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014502587 HA Annotated Mild in-man CCC[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014502590 HA Annotated Mild in-man N=C1N[C@H]2[C@@H](COC(N)=O)N(O)C(=N)N3C[C@@H](OS(=O)(=O)O)C(O)(O)[C@@]23N1 ZINC000014508345 HA Annotated Anodyne in-man biogenic COC(=O)[C@@]1(O)C(OC)=C(C2=C(OC)[C@](O)(C(=O)OC)N(C)C2=O)C(=O)N1C ZINC000014558559 HA Annotated Anodyne C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O ZINC000014587898 HA Annotated Anodyne in-man C[C@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O ZINC000014587899 HA Annotated Anodyne in-man C[C@@H](O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O ZINC000014587900 HA Annotated Anodyne in-man C[C@H](O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O ZINC000014587901 HA Annotated Anodyne in-man O=S(=O)(O)O/N=C(\CCCCS)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014593548 HA Annotated Mild in-man O=S(=O)(O)O/N=C(\CCCCS)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014593549 HA Annotated Mild in-man O=S(=O)(O)O/N=C(\CCCCS)S[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014593550 HA Annotated Mild in-man O=S(=O)(O)O/N=C(\CCCCS)S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000014593551 HA Annotated Mild in-man C[S@@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014593731 HA Annotated Mild in-man C[S@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014593732 HA Annotated Mild in-man C[S@@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014593733 HA Annotated Mild in-man C[S@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014593734 HA Annotated Mild in-man C=C[C@@H](CCCCC)O[C@@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014616880 HA Annotated Mild in-man endogenous C=C[C@H](CCCCC)O[C@@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014616881 HA Annotated Mild in-man endogenous C=C[C@@H](CCCCC)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014616882 HA Annotated Mild in-man endogenous C=C[C@H](CCCCC)O[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014616883 HA Annotated Mild in-man endogenous C[C@H](NC(=O)[C@@H](N)CC[S@@](C)(=O)=NP(=O)(O)O)C(=O)N[C@H](C)C(=O)O ZINC000014653643 HA Annotated Anodyne CC(=O)N(O)CCCNC(=O)C[C@]1(O)CC(=O)N(CCCN(O)C(C)=O)C1=O ZINC000014692544 HA Annotated Anodyne CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@H](C(C)(C)OS(=O)(=O)O)[C@@H]2C1 ZINC000014920459 HA Annotated Anodyne in-vitro CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@H](C(C)(C)OS(=O)(=O)O)[C@H]2C1 ZINC000014920463 HA Annotated Anodyne in-vitro C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)C(=C)[C@@H]1C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@H]21 ZINC000145698615 HA Annotated Mild Nc1nc(=O)c2c([nH]1)NCC(/C(C(=O)CO)=C1\CNc3[nH]c(N)nc(=O)c3N1)=N2 ZINC000146589482 HA Annotated Mild NC(N)=NCC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)O ZINC000146750084 HA Annotated Mild O=C1OC[C@@]2(O)CO[C@@H](O[C@H]3[C@@H](OC[C@@H](O)[C@@H]3O)Oc3ccc(O)c1c3)[C@@H]2O ZINC000147838846 HA Annotated Anodyne Cn1ccc(C(=O)NCCOCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O ZINC000001652890 HA Annotated Anodyne O=C1NC(=S)NC(=O)C1C(c1ccc([N+](=O)[O-])cc1)C1C(=O)NC(=S)NC1=O ZINC000001863753 HA Annotated Bother O=c1[nH]c(=O)c2nc(-c3ccc(O)cc3)c(=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2[nH]1 ZINC000015274295 HA Annotated Anodyne CCCC(=O)N[C@@H]1[C@@H](CO)O[C@H](O[C@H]([C@@H](O)CN)[C@H](N)[C@H](O)CO)[C@H](O)[C@H]1O ZINC000163896566 HA Annotated Anodyne CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OC3COCOC3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000168274766 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OCCNC(C)=O)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000168428536 HA Annotated Mild O=C1NC(NNC(=O)c2ccncc2)=N[C@@H]2C1=C1CCCN1[C@@]2(O)N1CCOCC1 ZINC000169301796 HA Annotated Reactive O=C1NC(NNC(=O)c2ccncc2)=N[C@H]2C1=C1CCCN1[C@@]2(O)N1CCOCC1 ZINC000169301797 HA Annotated Reactive CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CC[C@@H](O)C4)C3=O)N1C[C@H]1N[C@H]12 ZINC000169305582 HA Annotated Mild CCCCC#Cc1cn([C@@H]2O[C@H]([C@H](O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1N ZINC000169309258 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(N(CCN)CCN)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169310348 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N(CCN)CCN)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169310350 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(N(CCN)CCN)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169310351 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCNCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000169311072 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCNCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169311076 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)/C(=N/CCNCCO)C(C)=C1O)[C@@H]2COC(N)=O ZINC000169311077 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCNCCN)C3=O)N1C[C@H]1N[C@H]12 ZINC000169311415 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCNCCN)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169311417 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)/C(=N/CCNCCN)C(C)=C1O)[C@@H]2COC(N)=O ZINC000169311419 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OCCN(C)C)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169311880 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCN(C)C)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169311882 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OCCN(C)C)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169311884 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC[C@@H](O)CO)C3=O)N1C[C@H]1N[C@H]12 ZINC000169312208 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(NC[C@@H](O)CO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169312210 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC[C@@H](O)CO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169312213 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(NC[C@@H](O)CO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169312215 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCC(=O)O)C3=O)N1C[C@H]1N[C@H]12 ZINC000169312460 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(NCCC(=O)O)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169312461 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCC(=O)O)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169312463 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(NCCC(=O)O)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169312464 HA Annotated Mild CO[C@H](COC(N)=O)C1=C(N2CC2)C(=O)C([C@H](COC(N)=O)OC)=C(N2CC2)C1=O ZINC000169320085 HA Annotated Mild CO[C@H](COC(N)=O)C1=C(N2CC2)C(=O)C([C@@H](COC(N)=O)OC)=C(N2CC2)C1=O ZINC000169320087 HA Annotated Mild CO[C@@H](COC(N)=O)C1=C(N2CC2)C(=O)C([C@H](COC(N)=O)OC)=C(N2CC2)C1=O ZINC000169320088 HA Annotated Mild CCC(=O)N[C@@H]1[C@@H](CCl)O[C@H](O[C@H]([C@@H](O)CN)[C@H](N)[C@H](O)CO)[C@H](O)[C@H]1O ZINC000169324657 HA Annotated Reactive N=C(N)NC[C@@H]1O[C@@H](O[C@@H]2O[C@@H](CNC(=N)N)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169332354 HA Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4OCCO4)C3=O)N1C[C@H]1N[C@H]12 ZINC000169333825 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OCC3OCCO3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169333827 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4OCCO4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169333830 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OCC3OCCO3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169333833 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC/C=C/CO)C3=O)N1C[C@H]1N[C@H]12 ZINC000169336103 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OC/C=C/CO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169336105 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC/C=C/CO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169336107 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OC/C=C/CO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169336109 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC4COCOC4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169337490 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OC3COCOC3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169337491 HA Annotated Mild CO[C@H]1[C@@H](N(C)C(=O)CN)[C@H](O)[C@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@@H](N)[C@H]1O ZINC000169346096 HA Annotated Anodyne CO[C@H]1[C@@H](N(C)C(=O)CN)[C@H](O)[C@H](O[C@H]2O[C@@H]([C@H](C)N)CC[C@H]2N)[C@@H](N)[C@H]1O ZINC000169346098 HA Annotated Anodyne CO[C@H]1[C@@H](N(C)C(=O)CN)[C@H](O)[C@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@@H]2N)[C@@H](N)[C@H]1O ZINC000169346100 HA Annotated Anodyne CO[C@H]1[C@@H](N(C)C(=O)CN)[C@H](O)[C@H](O[C@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H](N)[C@H]1O ZINC000169346102 HA Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCOCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000169356907 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCOCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169356908 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)/C(=N/CCOCCO)C(C)=C1O)[C@@H]2COC(N)=O ZINC000169356909 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC[C@@H](O)CO)C3=O)N1C[C@H]1N[C@H]12 ZINC000169358708 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OC[C@@H](O)CO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169358709 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC[C@@H](O)CO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169358710 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OC[C@@H](O)CO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169358711 HA Annotated Mild COC[C@@H](O)COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000169361660 HA Annotated Mild COC[C@H](O)COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000169361661 HA Annotated Mild COC[C@H](O)COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000169361662 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OCCOCCO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169364681 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCOCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169364682 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OCCOCCO)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169364683 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N[C@@H](C)C(=O)O)C3=O)N1C[C@H]1N[C@H]12 ZINC000169364902 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(N[C@@H](C)C(=O)O)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169364903 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N[C@@H](C)C(=O)O)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169364904 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(N[C@@H](C)C(=O)O)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169364905 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCC[C@@H](O)C4)C3=O)N1C[C@H]1N[C@H]12 ZINC000169367415 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N[C@@H](CO)C(=O)O)C3=O)N1C[C@H]1N[C@H]12 ZINC000169369227 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(N[C@@H](CO)C(=O)O)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169369228 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N[C@@H](CO)C(=O)O)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169369229 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(N[C@@H](CO)C(=O)O)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169369230 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC[C@@H](O)CN)C3=O)N1C[C@H]1N[C@H]12 ZINC000169369340 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(NC[C@@H](O)CN)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169369341 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC[C@@H](O)CN)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169369342 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(NC[C@@H](O)CN)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169369343 HA Annotated Mild C=CCCC(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000169369613 HA Annotated Mild C=CCCC(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000169369614 HA Annotated Mild C=CCCC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000169369615 HA Annotated Mild C=CCCC(=O)N[C@H]1[C@H](O)O[C@@H](CO)[C@@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000169369617 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC[C@@H]4COCO4)C3=O)N1C[C@H]1N[C@H]12 ZINC000169372833 HA Annotated Mild CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(OC[C@@H]3COCO3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169372834 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC[C@@H]4COCO4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169372835 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OC[C@@H]3COCO3)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169372836 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCNC(C)=O)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169372997 HA Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(OCCNC(C)=O)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000169372998 HA Annotated Mild CC1(C)[C@H]2O[C@H]2[C@H]2[C@](C)(O)[C@]3(O)CC[C@@H]4[C@@H](O)[C@]3(C[C@@]4(C)O)[C@H](O)[C@@H](O)[C@@]21O ZINC000169661263 HA Annotated Anodyne NC1=NON[C@@H]1N1NN=C(C(=O)N/N=C/c2ccncc2)[C@@H]1CN1CCCCC1 ZINC000169719067 HA Annotated Reactive NC1=NON[C@H]1N1NN=C(C(=O)N/N=C/c2ccncc2)[C@@H]1CN1CCCCC1 ZINC000169719068 HA Annotated Reactive CN(CC[C@@H](N)CC(=O)N[C@@H]1C=C[C@@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)O)C(=N)N ZINC000017175874 HA Annotated Anodyne COc1ccc(NC(=O)/C(=N/NC(N)=S)C2C(=O)NC(=S)NC2=O)c(OC)c1 ZINC000017216624 HA Annotated Mild NC(=O)C[C@H](/N=C1\C(=O)O[C@H]([C@@H](O)CO)\C1=N/[C@H](CC(N)=O)C(=O)O)C(=O)O ZINC000018252279 HA Annotated Mild COC(=O)[C@@H]1CN1C1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000194962918 HA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CC[C@@H](O)C4)C3=O)N1C[C@H]1N[C@H]12 ZINC000194975558 HA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCC[C@@H](O)C4)C3=O)N1C[C@H]1N[C@H]12 ZINC000195176049 HA Annotated Mild COC[C@@H](O)COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21 ZINC000195354852 HA Annotated Mild COC[C@H](O)COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21 ZINC000195354859 HA Annotated Mild O=C1NC(=O)/C(=C/c2ccc(S(=O)(=O)N/N=C\[C@H](O)[C@H](O)[C@@H](O)CO)cc2)N1 ZINC000195479333 HA Annotated Mild O=C1NC(=O)/C(=C/c2ccc(S(=O)(=O)N/N=C\[C@H](O)[C@@H](O)[C@@H](O)CO)cc2)N1 ZINC000195479340 HA Annotated Mild NC(=O)C[C@H](/N=C1\C(=O)O[C@H]([C@@H](O)CO)\C1=N/[C@@H](CC(N)=O)C(=O)O)C(=O)O ZINC000195496084 HA Annotated Mild NC(=O)C[C@H](/N=C1\C(=O)O[C@@H]([C@@H](O)CO)\C1=N/[C@H](CC(N)=O)C(=O)O)C(=O)O ZINC000195496088 HA Annotated Mild NC(=O)C[C@H](/N=C1\C(=O)O[C@@H]([C@@H](O)CO)\C1=N/[C@@H](CC(N)=O)C(=O)O)C(=O)O ZINC000195496091 HA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C\c1c[nH]c2ccccc12 ZINC000195517450 HA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C\c1c[nH]c2ccccc12 ZINC000195517452 HA Annotated Mild O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C\c1c[nH]c2ccccc12 ZINC000195517454 HA Annotated Mild O=C1C[C@H]2S[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)C[C@@H](S1)[C@H](O)[C@H]3N2C4=O ZINC000196989715 HA Annotated Anodyne NCCCCN(CCCN)CCCC[C@]12B3B4B5B6B3B6[C@@]1(C[C@H](O)CO)B5B1B4B12 ZINC000197968185 HA Annotated Anodyne NCCCCN(CCCN)CCCC[C@]12B3B4B5B6B3B6[C@]1(C[C@H](O)CO)B5B1B4B12 ZINC000197968197 HA Annotated Anodyne Nc1ccn([C@@H]2O[C@H](C(=O)N3CCN(C(=O)C(F)(F)F)CC3)[C@@H](O)[C@H]2O)c(=O)n1 ZINC000199713993 HA Annotated Anodyne Cc1ccc2nc(CN(C)C(=O)[C@H]3O[C@@H](n4cnc(C(N)=O)n4)[C@H](O)[C@@H]3O)[nH]c2c1 ZINC000199715261 HA Annotated Anodyne COCCN(Cc1ccc(C)cc1)C(=O)[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@H](O)[C@@H]1O ZINC000199715542 HA Annotated Anodyne NC(=O)c1ncn([C@@H]2O[C@H](C(=O)N3CCN(Cc4ccccn4)CC3)[C@@H](O)[C@H]2O)n1 ZINC000199715977 HA Annotated Anodyne C[C@@H](O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]1(C)O ZINC000199820989 HA Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC4COCOC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000002006584 HA Annotated Mild C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](C(=O)c3ccco3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O ZINC000200656042 HA Annotated Anodyne CO/N=C(\C(=O)N[C@@H]1C(=O)N(O[C@H](OC(C)=O)C(=O)O)[C@H]1C)c1csc(N)n1 ZINC000209235463 HA Annotated Mild CC(C)[C@H](NCCC1OCC(C)(C)CO1)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000209652706 HA Annotated Anodyne CC(C)[C@H](NCCC1OCC(C)(C)CO1)C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000209652771 HA Annotated Anodyne O=C(O)CN1CCN2CCOCCOCCN(CC1)CCN(CC(=O)O)CC2 ZINC000022026459 HA Annotated Anodyne NCCCN1CCN(CC(=O)O)CCN(CCCN)CCN(CC(=O)O)CC1 ZINC000022039439 HA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@H](C)[C@]4(O)C(=O)OC[C@]13[C@H]42 ZINC000222168933 HA Annotated Mild N=C1N[C@@H]2[C@@H](COC(N)=O)N(O)C(=N)N3C[C@@H](OS(=O)(=O)O)C(O)(O)[C@@]23N1 ZINC000230076171 HA Annotated Anodyne in-man O=S(=O)(O)O/N=C(\CCCCS)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230098997 HA Annotated Mild in-man O=S(=O)(O)O/N=C(\CCCCS)S[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230099000 HA Annotated Mild in-man COC(=O)[C@H](CO)O[C@H](O[C@@H]1OC=C[C@@]2(O)[C@H](O)C[C@](C)(O)[C@@H]12)[C@@H](O)C(=O)OC ZINC000238730889 HA Annotated Anodyne O=C1c2cc(O)c(O)cc2O[C@H]2C=C(O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(O)[C@@H]12 ZINC000238731237 HA Annotated Clean C[C@@H]1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238732762 HA Annotated Anodyne CC[C@](C)(O)C/C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=[N+](/[O-])S(=O)(=O)O ZINC000238732775 HA Annotated Mild CC(=O)O[C@@H]1[C@]2(C[C@H]3N4C(=O)[C@H](CO)N(C)C(=O)C4=C[C@@]13O)O[C@H](C)C(C)(C)C2=O ZINC000238733053 HA Annotated Anodyne CN[C@@H]1[C@@H](OC)[C@H](O)[C@H](N)[C@H](O[C@@H]2OC([C@H](C)N)=CC[C@@H]2N)[C@]1(O)NC(C)=O ZINC000238733649 HA Annotated Anodyne CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)C(O)(O)[C@H]3O)[C@H]12 ZINC000238734472 HA Annotated Anodyne CC(=O)O[C@@H]1[C@]2(C[C@H]3N4C(=O)[C@@H](CO)N(C)C(=O)C4=C[C@@]13O)O[C@H](C)C(C)(C)C2=O ZINC000238735635 HA Annotated Anodyne OCC(CO)O[C@H]1O[C@@H]([C@H](O)CO)[C@H](O[C@H]2O[C@@H]([C@@H](O)CO)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000238735806 HA Annotated Anodyne CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@H]([C@H](C)OS(=O)(=O)O)[C@H]2C1 ZINC000238736043 HA Annotated Anodyne C[C@H](O)[C@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CCCN(O)C=O)C(=O)O ZINC000238737701 HA Annotated Clean CCCC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]([C@@H](O)CN)[C@H](N)[C@H](O)CO)O[C@H]1CO ZINC000238738356 HA Annotated Anodyne C[C@H]1O[C@H](OCCCc2cc(O)c(OC(CO)CO)c(O)c2)[C@@H](O)[C@@H](O)[C@H]1O ZINC000238738998 HA Annotated Anodyne CC(=O)c1c(O)cc(O)c([C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]2CO)c1O ZINC000238739636 HA Annotated Anodyne C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@@]1(O)/C=C/[C@H](O)CO ZINC000238739644 HA Annotated Anodyne CNC(=O)[C@]12CN(C)C(=O)C(=O)N1[C@@H]1C[C@]3(O[C@H](C)C(C)(C)C3=O)[C@@H](O)[C@]1(O)C2 ZINC000238740285 HA Annotated Anodyne CO[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C)[C@H]1O[C@@H](SCCO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238740972 HA Annotated Anodyne CO[C@H]1[C@H](O)[C@H](N)[C@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H](O)[C@H]1N(C)C(=O)CN ZINC000238740980 HA Annotated Anodyne C[C@H](CC(C)(COC(N)=O)COC(N)=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238741767 HA Annotated Anodyne O=C1C[C@@H]2S[C@]34C[C@H]1[C@H]([C@@H]2O)N3C(=O)[C@]12C[C@@H]3C(=O)C[C@H](S1)[C@@H](O)[C@@H]3N2C4=O ZINC000238741798 HA Annotated Anodyne CCC[C@H](O)C/C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=[N+](\[O-])S(=O)(=O)O ZINC000238745816 HA Annotated Mild CC[C@H](C)[C@@H](O)C(=O)N1NC[C@H](Cl)C[C@@H]1C(=O)N1NC[C@H](O)C[C@H]1C(=O)OC ZINC000238748302 HA Annotated Reactive COc1cc(C)c2c(=O)cc([C@H](O)CO)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238749899 HA Annotated Anodyne O=c1[nH]c(=O)c2nc(-c3ccc(O)cc3)c(=O)n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2[nH]1 ZINC000238749928 HA Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC1=COC[C@H]2[C@@H]1C[C@H](O)[C@@H]2CO ZINC000238750537 HA Annotated Anodyne C[C@H](O)/C=C/[C@@]1(O)C(C)(C)[C@H](O)CC[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238751308 HA Annotated Anodyne COC(=O)C1=C[C@H](O)[C@@H](O)[C@H](O[C@H]2C(C(=O)OC)=C[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1Cl ZINC000238752355 HA Annotated Reactive C[C@@H]1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238753181 HA Annotated Anodyne C[C@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238753710 HA Annotated Anodyne CNCC[C@@H](CC(=O)N[C@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)O)NC(=N)N ZINC000238754001 HA Annotated Anodyne CC[C@H](CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)C ZINC000238754277 HA Annotated Anodyne CC(=O)O[C@@H]1[C@]2(C[C@H]3N4C(=O)[C@@H]5CO[C@@]4(C[C@@]13O)C(=O)N5C)O[C@H](C)C(C)(C)C2=O ZINC000238755219 HA Annotated Anodyne CNC[C@H]1CC[C@H](N)[C@@H](O[C@H]2[C@@H](N)C[C@@H](OC)[C@@H](N(C)C(=O)CNC=N)[C@H]2O)O1 ZINC000238755759 HA Annotated Anodyne C[C@@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@]23O ZINC000238756811 HA Annotated Bother CN[C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N(N)C(C)=O)[C@@H](N)[C@H](O)[C@@H]1OC ZINC000238757910 HA Annotated Reactive C[C@@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238758601 HA Annotated Anodyne C[C@H](/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238759745 HA Annotated Anodyne C[C@H](/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238760626 HA Annotated Anodyne CCCC(=O)N[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)CN)[C@H](N)[C@H](O)CO)[C@H](O)[C@H]1O ZINC000238761081 HA Annotated Anodyne OC/C=C/C#CC#C[C@@H](O)[C@H](/C=C/CCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238761177 HA Annotated Mild Nc1nc2c(c(=O)[nH]1)N/C(=C(\C(=O)CO)C1=NC3=C(C[C@@H](N)NC3=O)NC1)CN2 ZINC000238761377 HA Annotated Mild CC[C@H](CCO[C@@H]1O[C@H](CO[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)C ZINC000238761451 HA Annotated Anodyne N=C1N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)NC(=N)N3CC(O)(O)C(O)(O)[C@]23N1 ZINC000238764158 HA Annotated Anodyne Nc1nc2c(c(=O)[nH]1)N=C(/C(C(=O)CO)=C1/CNc3nc(N)[nH]c(=O)c3N1)CN2 ZINC000238766842 HA Annotated Mild CC1=C[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H](CO)C(=O)[C@@H]2[C@](C)(O)C12CC2 ZINC000238767419 HA Annotated Anodyne C[C@@H]1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/[C@H](O)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238767745 HA Annotated Anodyne CC(=O)N[C@@H]1[C@H](COC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O ZINC000238768295 HA Annotated Anodyne COC1=C(C=O)C(=O)O[C@@]12[C@@H]1O[C@@H]1[C@@]1(O)[C@H]3C(=O)O[C@@H]([C@@H](OC)[C@@]21C)[C@@]3(O)C(C)C ZINC000238768445 HA Annotated Reactive CC[C@H](O)CC[C@H](C)O[C@@H]1O[C@H](COC(=O)[C@](O)(CC)[C@@H](C)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238771332 HA Annotated Anodyne C[S@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238771918 HA Annotated Mild CC[C@@](O)(C(=O)OC[C@H]1O[C@@H](OC/C=C(\C#N)CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](C)O ZINC000238771954 HA Annotated Reactive COC(=O)CCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000238772046 HA Annotated Mild CC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)O[C@H]4C=C(CO)[C@@H]2[C@H]34)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238772437 HA Annotated Anodyne CC1=C[C@](O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@](C)(O)[C@]1(O)/C=C/[C@H](C)O ZINC000238773828 HA Annotated Anodyne C[C@H](/C=C/[C@]1(O)[C@]2(C)CO[C@@]1(C)CC(=O)C2)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238775889 HA Annotated Anodyne O=C(NO)c1cccc(Br)c1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238776535 HA Annotated Anodyne CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](OC[C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H]1[C@@H]32 ZINC000238777141 HA Annotated Anodyne COC(=O)C1=CO[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H]2[C@@H]1C[C@@H](O)[C@H]2CO ZINC000238777444 HA Annotated Mild C[S@](=O)CCC/C(=N/OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238778203 HA Annotated Mild C[S@](=O)CCCC/C(=N\S(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238779762 HA Annotated Mild C[S@](=O)CCCC/C(=N/S(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238779812 HA Annotated Mild C[S@](=O)CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238780959 HA Annotated Mild O=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](OC(=O)C[C@H]2COC(=O)C2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238781945 HA Annotated Bother O=[P@](O)(OC[C@H](O)CO)OC[C@@H](O)CO[P@](=O)(O)OC[C@@H](O)CO ZINC000238782014 HA Annotated Anodyne N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)[C@H](O)[C@@H]1CN2C(=O)C[C@@H]2O1 ZINC000238782437 HA Annotated Anodyne CNC[C@@H]1CC[C@@H](NC(=O)CNC=O)[C@H](O[C@@H]2[C@@H](N)C[C@@H](OC)[C@H](NC)[C@H]2O)O1 ZINC000238782843 HA Annotated Anodyne CC(=O)/C=C/[C@@]1(O)[C@H](C)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C ZINC000238784037 HA Annotated Mild CC1=C2[C@@H](O)[C@H](O)[C@]3(C)[C@@H](O)C[C@H](O)[C@@](O)(CO)[C@H]3[C@H](O)[C@]2(C(C)(C)O)C[C@@H]1O ZINC000238784619 HA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@H](C)[C@]4(O)C(=O)OC[C@]13[C@H]42 ZINC000238784703 HA Annotated Mild C=C[C@H]1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21 ZINC000238784784 HA Annotated Mild CC[C@H](O)CC[C@@H](C)O[C@@H]1O[C@H](COC(=O)[C@](O)(CC)[C@@H](C)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238785289 HA Annotated Anodyne COC(=O)c1ccc2c(c1O)C(=O)[C@H]1[C@@](C)(O)[C@H]3OC(=O)C(=O)N[C@]1(O2)[C@]3(C)O ZINC000238785827 HA Annotated Anodyne C=C/C(=C\NC(=O)[C@@H](O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O)CO ZINC000238785885 HA Annotated Anodyne C=C(C)CCC(=O)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238786329 HA Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)[C@]4(O)C(=O)OC[C@]13[C@H]42 ZINC000238787049 HA Annotated Mild CC1=CCO[C@H]1NC(=O)[C@H](O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000238787180 HA Annotated Anodyne C[S@](=O)CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238789240 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N(CCN)CCN)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253632707 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N(CCN)CCN)C3=O)N1C[C@H]1N[C@H]12 ZINC000253632709 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCN(C)C)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253632912 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCN(C)C)C3=O)N1C[C@H]1N[C@H]12 ZINC000253632914 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCNCCO)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000253633178 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCNCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253633179 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCNCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000253633181 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCC(=O)O)C3=O)N1C[C@H]1N[C@H]12 ZINC000253633428 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NCCC(=O)O)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253633429 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC[C@H](O)CO)C3=O)N1C[C@H]1N[C@H]12 ZINC000253633745 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC[C@H](O)CO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253633747 HA Annotated Mild CC(=O)N(CC(=O)O)[C@H](C[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O)C(=O)NCC(=O)O ZINC000253633980 HA Annotated Anodyne CC(=O)N(CC(=O)O)[C@H](C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NCC(=O)O ZINC000253633983 HA Annotated Anodyne CC(=O)N(CC(=O)O)[C@H](C[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)NCC(=O)O ZINC000253633985 HA Annotated Anodyne CC(=O)N(CC(=O)O)[C@H](C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)C(=O)NCC(=O)O ZINC000253633986 HA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCNCCN)C3=O)N1C[C@H]1N[C@H]12 ZINC000253635189 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCNCCN)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253635193 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCNCCN)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000253635198 HA Annotated Mild C[C@@H]1CN1C[C@H](O)C[C@@H]1C[C@H]1COC(COC(CO)CO)COC(CO)CO ZINC000253637123 HA Annotated Anodyne C[C@@H]1CN1C[C@H](O)C[C@H]1C[C@@H]1COC(COC(CO)CO)COC(CO)CO ZINC000253637126 HA Annotated Anodyne C[C@@H]1CN1C[C@H](O)C[C@H]1C[C@H]1COC(COC(CO)CO)COC(CO)CO ZINC000253637129 HA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4OCCO4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253664132 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC[C@@H]4COCO4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253686273 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC[C@@H]4COCO4)C3=O)N1C[C@H]1N[C@H]12 ZINC000253686278 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCNC(C)=O)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253687996 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCNC(C)=O)C3=O)N1C[C@H]1N[C@H]12 ZINC000253687999 HA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@H]4C(N)=O)C3=O)N1C[C@H]1N[C@H]12 ZINC000253691744 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N[C@H](CO)C(=O)O)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000253693885 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N[C@H](CO)C(=O)O)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253693894 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N[C@H](CO)C(=O)O)C3=O)N1C[C@H]1N[C@@H]12 ZINC000253693903 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N[C@H](CO)C(=O)O)C3=O)N1C[C@H]1N[C@H]12 ZINC000253693911 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC[C@H](O)CN)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253697908 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(NC[C@H](O)CN)C3=O)N1C[C@H]1N[C@H]12 ZINC000253698768 HA Annotated Mild C=CCCC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](S[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O ZINC000253707967 HA Annotated Mild C=CCCC(=O)N[C@H]1[C@H](O)[C@@H](S[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O ZINC000253707977 HA Annotated Mild C=CCCC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](S[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O ZINC000253707986 HA Annotated Mild C=CCCC(=O)N[C@H]1[C@H](O)[C@@H](S[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O ZINC000253708000 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC4COCOC4)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253712088 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC4COCOC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000253712091 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC[C@H](O)CO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253951413 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC[C@H](O)CO)C3=O)N1C[C@H]1N[C@H]12 ZINC000253951416 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCOCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253991619 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCOCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000253991621 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N[C@H](C)C(=O)O)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000253991787 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N[C@H](C)C(=O)O)C3=O)N1C[C@@H]1N[C@H]12 ZINC000253991788 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N[C@H](C)C(=O)O)C3=O)N1C[C@H]1N[C@@H]12 ZINC000253991789 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N[C@H](C)C(=O)O)C3=O)N1C[C@H]1N[C@H]12 ZINC000253991790 HA Annotated Mild COC[C@H](O)COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@@H]3CN21 ZINC000254005415 HA Annotated Mild COC[C@H](O)COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@H]3CN21 ZINC000254005423 HA Annotated Mild O=C[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000255191585 HA Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)C(=C)[C@@H]1C[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@H]21 ZINC000255196714 HA Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)C(=C)[C@@H]1C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@H]21 ZINC000255196715 HA Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)C(=C)[C@@H]1C[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@H]21 ZINC000255196716 HA Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)C(=C)[C@@H]1C[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C(=C)[C@H]21 ZINC000255196717 HA Annotated Mild C[C@H](O)[C@@H](O)[C@@H]1C[C@@H]2N[C@H]([C@@H](O)[C@H](C)O)C[C@H]3N[C@@H]([C@H](O)[C@H](C)O)C[C@@H](N1)N32 ZINC000255197186 HA Annotated Anodyne C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)C=O ZINC000255200060 HA Annotated Mild C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)C=O ZINC000255200061 HA Annotated Mild CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000255204703 HA Annotated Anodyne CC1=C(O)C(=O)C2=C(C1=O)[C@H]1[C@@H]3[C@@H]4[C@@H](C[C@H]([C@@H](O)N3[C@@H]2CO)N4C)[C@@H]2OCCN12 ZINC000255209054 HA Annotated Mild CC(=O)OCC1=C[C@@H]2OC(=O)[C@@H]3[C@@H]4O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O4)[C@H]1[C@@H]32 ZINC000255219855 HA Annotated Anodyne C[C@@H](O)/C=C/[C@]1(O)[C@]2(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]1(C)OC2=O ZINC000255220551 HA Annotated Anodyne O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@H](O[C@H]3CO[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O ZINC000255220778 HA Annotated Anodyne O[C@H]1[C@H](O)CO[C@H](O[C@@H]2CO[C@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O ZINC000255220779 HA Annotated Anodyne O[C@@H]1[C@@H](O[C@H]2OC[C@H](O)[C@@H](O)[C@H]2O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1O ZINC000255220780 HA Annotated Anodyne CC[C@@]12OC[C@@]34[C@@H](C[C@H]5C(C)=CC(=O)[C@@H](O)[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](O)[C@@]24O ZINC000255221435 HA Annotated Mild C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H](OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000255222343 HA Annotated Anodyne C[C@H]1O[C@@H](O[C@H]2C=C[C@@](C#N)(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)C2)C[C@H](O)[C@@H]1O ZINC000255223482 HA Annotated Mild C[C@H]1O[C@@H](O[C@@H]2C=C[C@](C#N)(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C2)C[C@@H](O)[C@@H]1O ZINC000255223485 HA Annotated Mild C[C@@H]1[C@@H](O)C[C@@H](O)[C@](C)(CO)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255223759 HA Annotated Anodyne C[C@@H]1O[C@H](O[C@H]2[C@H](O)C[C@@H](O[C@@H]3[C@H](O)C[C@@H](O)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@H]1O ZINC000255224229 HA Annotated Anodyne OC[C@H]1O[C@@H](O[C@@H]2O[C@@H]3C[C@H]4[C@H](O)[C@@H](Cl)[C@@](O)(OO3)[C@@H]24)[C@H](O)[C@@H](O)[C@@H]1O ZINC000255225439 HA Annotated Reactive CC(C)[C@@H]1C[C@H](O)[C@@H]2[C@@H](O)CC[C@](C)(O)[C@H]2[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255226891 HA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@]2(C)[C@@H]3[C@@]4(O)OC[C@@]35[C@@H](C[C@H]12)OC(=O)[C@H](O)[C@@]5(O)[C@]1(CO1)[C@H]4O ZINC000255235671 HA Annotated Mild CCC[C@@H]1C[C@@H](NC(=O)[C@@H]([C@H](C)O)[C@@H]2O[C@H]([S@@](C)=O)[C@@H](O)[C@H](O)[C@H]2O)N(C)C1 ZINC000255254126 HA Annotated Anodyne C[C@H](O)/C=C/[C@]12O[C@@]1(C)[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C ZINC000255256251 HA Annotated Anodyne CC1=C2C[C@H]3OC(=O)[C@H](O)[C@@]4(O)[C@@H](C)[C@@H](O)[C@]5(O)OC[C@]34[C@H]5[C@@]2(C)[C@H](O)[C@@H](O)C1 ZINC000255260391 HA Annotated Anodyne C[C@@H](O)/C=C/[C@@H]1[C@@]2(C)CO[C@]1(C)C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255260634 HA Annotated Anodyne O[C@H]1OC[C@@H](O[C@@H]2OC[C@H](O)[C@@H](O[C@H]3OC[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000255260870 HA Annotated Anodyne O[C@H]1OC[C@H](O)[C@@H](O[C@H]2O[C@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000255262065 HA Annotated Anodyne C[C@@H](O)CC[C@@H]1[C@@]2(C)CO[C@]1(C)C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255265446 HA Annotated Anodyne O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](CO)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O ZINC000255269307 HA Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CO)N1[C@H](O)[C@@H]3C[C@H]4[C@H]([C@@H]1[C@@H]2N1CCO[C@H]41)N3C ZINC000255269406 HA Annotated Mild C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=N)N)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]2O)C(O)(O)[C@@]1(C)O ZINC000255269808 HA Annotated Anodyne CC1=C(O)C(=O)C2=C(C1=O)[C@H]1[C@@H]3[C@H]4[C@@H](C[C@@H]([C@@H](C#N)N3[C@@H]2CO)N4C)[C@@H]2OCCN12 ZINC000255269940 HA Annotated Mild CC1=CC(=O)[C@@H](O)[C@]2(C)[C@@H]3[C@@H](O)[C@H](O)[C@H](C)[C@]4(O)[C@@H](O)C(=O)O[C@H](C[C@@]12O)[C@]34C ZINC000255271528 HA Annotated Mild CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]13[C@@H]24 ZINC000255272333 HA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)C[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O ZINC000255277579 HA Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)C[C@]3(O)[C@@]14CO[C@]3(C)[C@@H](O)[C@H](O)[C@H]24 ZINC000255277582 HA Annotated Mild CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)O)[C@H]2O[C@H]([S@@](C)=O)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 ZINC000255282371 HA Annotated Anodyne O[C@@H]1[C@H](O[C@@H]2[C@H](O)OC[C@@H](O)[C@H]2O)OC[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O ZINC000255283650 HA Annotated Anodyne CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000255286704 HA Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@]2(O)[C@]3(O)C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000255286857 HA Annotated Anodyne CC(C)C[C@H](NC(=O)[C@H](O)[C@H](O)[C@@H](N)CC(N)=O)[C@H]1Cc2cccc(O)c2C(=O)O1 ZINC000255968662 HA Annotated Anodyne CC(C)C[C@H](NC(=O)[C@H](O)[C@H](O)[C@@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000255968663 HA Annotated Anodyne CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)[C@H](O)[C@]3(O)[C@@]4(C)OC[C@@]13[C@@H]2[C@H](O)[C@@H]4O ZINC000257451556 HA Annotated Mild CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)[C@H](O)[C@]3(O)[C@@]4(C)OC[C@@]13[C@@H]2[C@@H](O)[C@H]4O ZINC000257451557 HA Annotated Mild CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)[C@H](O)[C@]3(O)[C@@]4(C)OC[C@@]13[C@@H]2[C@@H](O)[C@@H]4O ZINC000257451558 HA Annotated Mild CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)[C@H](O)[C@]3(O)[C@@]4(C)OC[C@@]13[C@@H]2[C@H](O)[C@H]4O ZINC000257451559 HA Annotated Mild CC[C@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000257452797 HA Annotated Mild CC[C@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000257452798 HA Annotated Mild CC[C@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000257452799 HA Annotated Mild CC[C@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257452800 HA Annotated Mild O=S(=O)(O)O/N=C(\CCCCS)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000257466496 HA Annotated Mild O=S(=O)(O)O/N=C(\CCCCS)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000257466497 HA Annotated Mild O=S(=O)(O)O/N=C(\CCCCS)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000257466498 HA Annotated Mild O=S(=O)(O)O/N=C(\CCCCS)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257466499 HA Annotated Mild C[C@H]1O[C@@H](O[C@H]2C=C[C@](C#N)(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C2)C[C@H](O)[C@H]1O ZINC000257466728 HA Annotated Mild C[C@H]1O[C@@H](O[C@H]2C=C[C@](C#N)(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C2)C[C@@H](O)[C@@H]1O ZINC000257466729 HA Annotated Mild C[C@H]1O[C@@H](O[C@H]2C=C[C@](C#N)(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C2)C[C@@H](O)[C@H]1O ZINC000257466730 HA Annotated Mild C[C@H]1O[C@@H](O[C@H]2C=C[C@](C#N)(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C2)C[C@H](O)[C@@H]1O ZINC000257466731 HA Annotated Mild O[C@@H]1[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)O[C@H](O[C@@H]2[C@H](O)CO[C@H](O)[C@@H]2O)[C@@H]1O ZINC000257528868 HA Annotated Anodyne O[C@@H]1[C@H](O)[C@@H](OC[C@@H]2O[C@H](O[C@@H]3[C@H](O)CO[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)OC[C@H]1O ZINC000257528869 HA Annotated Anodyne O[C@@H]1[C@@H](OC[C@@H]2O[C@H](O[C@@H]3[C@H](O)CO[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O ZINC000257528870 HA Annotated Anodyne O[C@@H]1[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@H](O[C@@H]2[C@H](O)CO[C@H](O)[C@@H]2O)[C@@H]1O ZINC000257528871 HA Annotated Anodyne C[C@@H](O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]1(C)O ZINC000257540787 HA Annotated Anodyne C[C@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]1(C)O ZINC000257540788 HA Annotated Anodyne C[C@H](O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]1(C)O ZINC000257540789 HA Annotated Anodyne C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]1(C)O ZINC000257540790 HA Annotated Anodyne CCC[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000257630575 HA Annotated Mild CCC[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000257630576 HA Annotated Mild CCC[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257630577 HA Annotated Mild CCC[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000257630578 HA Annotated Mild C=CCCC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O ZINC000026275621 HA Annotated Mild C=CCCC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](S[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O ZINC000026275627 HA Annotated Mild C=CCCC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](S[C@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O ZINC000026275633 HA Annotated Mild C=CCCC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](S[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O ZINC000026275638 HA Annotated Mild CS(=O)(=O)N(CCI)N(S(C)(=O)=O)S(C)(=O)=O ZINC000026378461 HA Annotated Reactive CN(CC(=O)O)C(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)C(F)(F)F)[C@H]2S(=O)(=O)C1(C)C ZINC000026390424 HA Annotated Anodyne CN(CC(=O)O)C(=O)[C@@H]1N2C(=O)[C@H](NC(=O)C(F)(F)F)[C@H]2S(=O)(=O)C1(C)C ZINC000026391798 HA Annotated Anodyne CC(=O)N(CC(=O)O)[C@@H](C[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCC(=O)O ZINC000026394759 HA Annotated Anodyne CC(=O)N(CC(=O)O)[C@H](C[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCC(=O)O ZINC000026394763 HA Annotated Anodyne CC(=O)N(CC(=O)O)[C@@H](C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCC(=O)O ZINC000026394766 HA Annotated Anodyne CC(=O)N(CC(=O)O)[C@H](C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCC(=O)O ZINC000026394769 HA Annotated Anodyne O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)OCC1=Cc2ccccc2S1(=O)=O ZINC000263620223 HA Annotated Anodyne C[C@H]1C(S[C@@H]2CN[C@H](CNS(N)(=O)=O)C2)=C(C(=O)O)N[C@H]1[C@H](CO)[C@@H](C)O ZINC000263620786 HA Annotated Anodyne C[C@@H](O)[C@@H](C=O)[C@@H]1N=C(C(=O)O)[C@H](S[C@@H]2CN[C@H](CNS(N)(=O)=O)C2)[C@@H]1C ZINC000263620964 HA Annotated Mild CC(=O)OC[C@@H](CO[P@@](=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O ZINC000263621166 HA Annotated Anodyne in-vitro CC(=O)OC[C@@H](CO[P@@](=O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O)OC(C)=O ZINC000263621167 HA Annotated Anodyne in-vitro CC(=O)OC[C@@H](CO[P@@](=O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O ZINC000263621168 HA Annotated Anodyne in-vitro CC(=O)OC[C@@H](CO[P@@](=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O)OC(C)=O ZINC000263621169 HA Annotated Anodyne in-vitro CC(=O)N[C@H](C=O)[C@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](NC(C)=O)[C@@H]1O)[C@@H](O)[C@@H](O)CO ZINC000263636090 HA Annotated Mild CC(=O)N[C@H](C=O)[C@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](NC(C)=O)[C@@H]1O)[C@@H](O)[C@H](O)CO ZINC000263636091 HA Annotated Mild CC(=O)N[C@H](C=O)[C@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](NC(C)=O)[C@@H]1O)[C@H](O)[C@@H](O)CO ZINC000263636092 HA Annotated Mild O=P(O)(O)O[C@]1([C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000263636284 HA Annotated Anodyne O=P(O)(O)O[C@]1([C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000263636285 HA Annotated Anodyne O=P(O)(O)O[C@]1([C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000263636286 HA Annotated Anodyne O=P(O)(O)O[C@]1([C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000263636287 HA Annotated Anodyne CC[C@](C)(O)C/C(S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)=[N+](/[O-])S(=O)(=O)O ZINC000263636625 HA Annotated Mild CC[C@](C)(O)C/C(S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)=[N+](\[O-])S(=O)(=O)O ZINC000263636626 HA Annotated Mild CC[C@](C)(O)C/C(S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)=[N+](/[O-])S(=O)(=O)O ZINC000263636627 HA Annotated Mild CC[C@](C)(O)C/C(S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)=[N+](\[O-])S(=O)(=O)O ZINC000263636628 HA Annotated Mild COC(=O)CCCOC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 ZINC000026569758 HA Annotated Anodyne CCOC(=O)COC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 ZINC000026570985 HA Annotated Anodyne COC(=O)CCOC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 ZINC000026573200 HA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)[C@](C)(Cl)C4(OCCO4)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000026666055 HA Annotated Mild CC(=O)OC1=C(C)C2(OCCO2)C(=O)C2=C1N1C[C@H]3[C@H](N3C)[C@]1(O)[C@H]2COC(N)=O ZINC000026668460 HA Annotated Mild C[C@@](O[C@@H]1CC(C(=O)O)=C[C@@H](OP(=O)(O)O)[C@H]1O)(C(=O)O)P(=O)(O)O ZINC000026725016 HA Annotated Anodyne O=C(O)c1cc(O[C@H](C(=O)O)P(=O)(O)O)c(O)c(C(O)(C(=O)O)C(=O)O)c1 ZINC000026733866 HA Annotated Anodyne O=C(O)c1cc(O[C@@H](C(=O)O)P(=O)(O)O)c(O)c(C(O)(C(=O)O)C(=O)O)c1 ZINC000026733870 HA Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H](O)[C@@H]1N(C)C(=O)CN ZINC000027078533 HA Annotated Anodyne CO[C@H]1[C@@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H](O)[C@@H]1N(C)C(=O)CN ZINC000027078542 HA Annotated Anodyne CO[C@H]1[C@@H](N(C)C(=O)CN)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@H](N)[C@H]1O ZINC000027078549 HA Annotated Anodyne CO[C@@H]1[C@@H](N(C)C(=O)CN)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@H](N)[C@H]1O ZINC000027078554 HA Annotated Anodyne N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O)[C@@H]1OC(=O)CCCC(=O)O[C@@H]1[C@@H](N)C[C@@H](N)[C@H](O)[C@H]1O ZINC000027305691 HA Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3C[C@H](OC(N)=O)C[C@@H]3C(N)=O)S[C@H]12 ZINC000027421914 HA Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3C[C@H](OC(N)=O)C[C@H]3C(N)=O)S[C@H]12 ZINC000027421918 HA Annotated Anodyne C/C(=C\c1ccc(O[C@@H]2O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)c(O)c1)C(=O)NC(CO)CO ZINC000027618296 HA Annotated Anodyne C[C@@H]1CN1C[C@@H](O)C[C@@H]1C[C@@H]1COC(COC(CO)CO)COC(CO)CO ZINC000028218624 HA Annotated Anodyne C[C@H]1CN1C[C@@H](O)C[C@@H]1C[C@@H]1COC(COC(CO)CO)COC(CO)CO ZINC000028218629 HA Annotated Anodyne N=c1c(O)c(O)/c1=N\CCC[C@H](N)COC(=O)N[C@@H](CCCCN)COC(N)=O ZINC000028523917 HA Annotated Anodyne N=c1c(O)c(O)/c1=N\CCC[C@H](N)COC(=O)N[C@H](CCCCN)COC(N)=O ZINC000028523918 HA Annotated Anodyne OCCNc1nc(N2CCOCC2)c2nc(NCCO)nc(N3CCOCC3)c2n1 ZINC000028710616 HA Annotated Anodyne NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1 ZINC000028814982 HA Annotated Anodyne NC(=O)c1ccc(NC(=O)c2ncn3c(=O)n(CCCl)nnc23)c(C(N)=O)c1 ZINC000029314270 HA Annotated Reactive C/C(=C\c1ccc(OCCO)c(O)c1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O ZINC000029331618 HA Annotated Anodyne C/C(=C\c1ccc(OCC(N)=O)c(O)c1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O ZINC000029333752 HA Annotated Anodyne Nc1nc(OCCOCP(=O)(O)O)cc(=O)n1CCOCP(=O)(O)O ZINC000029562724 HA Annotated Anodyne N=C(N)NC[C@@H]1O[C@H](O[C@@H]2O[C@H](CNC(=N)N)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O ZINC000299804936 HA Annotated Anodyne N=C(N)NC[C@@H]1O[C@H](O[C@@H]2O[C@H](CNC(=N)N)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299804937 HA Annotated Anodyne N=C(N)NC[C@@H]1O[C@H](O[C@@H]2O[C@H](CNC(=N)N)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O ZINC000299804938 HA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC/C=C/CO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000299805848 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCOCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000299812171 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCOCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000299812172 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\CCOCCO)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000299812173 HA Annotated Mild CCCCC[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000299825415 HA Annotated Anodyne CCCCC[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000299827591 HA Annotated Anodyne Cn1c(O)c(C(c2ccc(O)cc2)c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O ZINC000299835015 HA Annotated Anodyne CC1=C2C[C@H]3OC(=O)[C@H](O)[C@@]4(O)[C@@H](C)[C@]5(O)C(=O)OC[C@]34[C@@H]5[C@@]2(C)[C@H](O)[C@@H](O)C1 ZINC000299835485 HA Annotated Anodyne CC1=C2C[C@H]3OC(=O)[C@H](O)[C@@]4(O)[C@@H](C)[C@]5(O)C(=O)OC[C@]34[C@H]5[C@@]2(C)[C@H](O)[C@@H](O)C1 ZINC000299835488 HA Annotated Anodyne O=C1N2[C@@H]3[C@@H](O)C=C[C@H](O)[C@H]3C[C@]23SS[C@]12C[C@@H]1[C@@H](O)C=C[C@H](O)[C@H]1N2C3=O ZINC000299836048 HA Annotated Reactive Cc1ccc2c(S(=O)(=O)NCCN)cc(S(=O)(=O)NCCN)c(O)c2n1 ZINC000299837789 HA Annotated Anodyne O=C1N/C(=N/S(=O)(=O)c2ccccc2)S[C@@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O ZINC000299837807 HA Annotated Mild Cc1ccc(S(=O)(=O)/N=C2/NC(=O)[C@]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)S2)cc1 ZINC000299839138 HA Annotated Mild NCCCCN(CCCN)CCCC[C@]12B3B4B5B6B3B6[C@]1(C[C@@H](O)CO)B5B1B4B12 ZINC000299841796 HA Annotated Anodyne NCCCCN(CCCN)CCCC[C@]12B3B4B5B6B3B6[C@@]1(C[C@@H](O)CO)B5B1B4B12 ZINC000299841797 HA Annotated Anodyne COC(=O)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](F)(C(=O)OC)[C@H](F)[C@H](N)[C@H]1NC(C)=O ZINC000299852130 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](N)[C@@H](F)[C@](F)(C(=O)OCc2cccs2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000299852564 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](N)[C@@H](F)[C@](F)(C(=O)NC2CCCCC2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000299852585 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](N)[C@@H](F)[C@](F)(C(=O)OCC(=O)N(C)C)O[C@H]1[C@H](O)[C@H](O)CO ZINC000299852900 HA Annotated Anodyne CC(=O)NCC(=O)NCC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O ZINC000299864746 HA Annotated Anodyne CC(=O)NCC(=O)NCC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O ZINC000299864748 HA Annotated Anodyne CC(=O)NCC(=O)NCC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O ZINC000299864750 HA Annotated Anodyne CC(=O)NCC(=O)NCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O ZINC000299864752 HA Annotated Anodyne C[C@]1(O)C[C@@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](COC=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 ZINC000299868191 HA Annotated Anodyne CC[C@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000030160103 HA Annotated Mild in-vitro C[S@@](=O)CCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000030160126 HA Annotated Mild in-vitro C[S@](=O)CCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000030160130 HA Annotated Mild in-vitro C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@]1(C)O ZINC000031155045 HA Annotated Anodyne C[C@H]1[C@@H](OS(=O)(=O)O)C[C@@H]2C[C@H]([C@H](O)c3cc(=O)[nH]c(=O)[nH]3)N=C3NC[C@H]1N32 ZINC000031372680 HA Annotated Anodyne in-vitro CC(=O)O[C@H]1[C@@H]2O[C@@](C(=O)O)(CS[C@@]2(O)C(N)=O)[C@H](OP(=O)(O)O)[C@@H]1N ZINC000031372793 HA Annotated Anodyne N=C(N)NCC[C@H](N)CC(=O)N[C@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)O ZINC000031545452 HA Annotated Anodyne in-vitro C[C@](O[C@@H]1CC(C(=O)O)=C[C@@H](OP(=O)(O)O)[C@H]1O)(C(=O)O)P(=O)(O)O ZINC000033821497 HA Annotated Anodyne N=c1c(O)c(O)/c1=N\CCC[C@@H](N)COC(=O)N[C@@H](CCCCN)COC(N)=O ZINC000034086875 HA Annotated Anodyne N=c1c(O)c(O)/c1=N\CCC[C@@H](N)COC(=O)N[C@H](CCCCN)COC(N)=O ZINC000034086876 HA Annotated Anodyne O=S(=O)(O)O[C@H]1[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H]2CO[C@@H]([C@H]2O)[C@H]1O ZINC000034230983 HA Annotated Anodyne in-vitro NC[C@@H]1[C@@H]2CN3C(=O)c4[nH]ccc4[C@@H]4NC(N)=N[C@@]43[C@@H]2[C@]2(NC(N)=N[C@@H]2O)[C@@H]1Cl ZINC000034541134 HA Annotated Reactive CC[C@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000034943347 HA Annotated Mild in-man CC[C@@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000034943350 HA Annotated Mild in-man C[S@@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000034943382 HA Annotated Mild in-man C[S@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000034943386 HA Annotated Mild in-man CO[C@H]1[C@@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@H]([C@H](C)N)CC[C@@H]2N)[C@@H](O)[C@H]1N(C)C(=O)CN ZINC000003830237 HA Annotated Anodyne CO[C@H]1[C@@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@H]([C@@H](C)N)CC[C@@H]2N)[C@@H](O)[C@H]1N(C)C(=O)CN ZINC000003830238 HA Annotated Anodyne CO[C@H]1[C@@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H](O)[C@H]1N(C)C(=O)CN ZINC000003830239 HA Annotated Anodyne CO[C@H]1[C@@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@@H]([C@@H](C)N)CC[C@@H]2N)[C@@H](O)[C@H]1N(C)C(=O)CN ZINC000003830240 HA Annotated Anodyne O=c1[nH]c(NC[C@H](O)[C@H](O)[C@H](O)CO)c(CCCCCP(=O)(O)O)c(=O)[nH]1 ZINC000003871086 HA Annotated Anodyne in-vitro O=c1[nH]c(NC[C@H](O)[C@@H](O)[C@H](O)CO)c(CCCCCP(=O)(O)O)c(=O)[nH]1 ZINC000003871088 HA Annotated Anodyne in-vivo NC[C@H]1[C@H]2CN3C(=O)c4[nH]ccc4[C@H]4N=C(N)N[C@]43[C@H]2[C@@]2(N=C(N)N[C@@H]2O)[C@H]1Cl ZINC000003918854 HA Annotated Reactive CN1[C@H]2CN3C4=C(C(=O)C5(OCCO5)[C@](C)(Cl)C4=O)[C@H](COC(N)=O)[C@@]3(O)[C@H]21 ZINC000003919387 HA Annotated Mild N=C(N)c1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CC(=O)O)cc1 ZINC000003922906 HA Annotated Anodyne NCCc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CC(=O)O)cc1 ZINC000003922918 HA Annotated Anodyne NC[C@H]1[C@H]2CN3C(=O)c4cccn4[C@H]4N=C(N)N[C@]43[C@H]2[C@@]2(N=C(N)N[C@@H]2O)[C@H]1Cl ZINC000003936468 HA Annotated Reactive O=C1N[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]2c2cc3c(c(OP(=O)(O)O)c21)OCO3 ZINC000003954776 HA Annotated Anodyne NC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-])CN1Cc1ccccc1 ZINC000035064525 HA Annotated Mild N=C1N[C@H]2n3cccc3C(=O)N3C[C@@H]4[C@@H](CN)[C@H](Cl)[C@@]5(N=C(N)N[C@H]5O)[C@H]4[C@]23N1 ZINC000035306305 HA Annotated Reactive C[C@@H]1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000035456935 HA Annotated Anodyne C[C@H]1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000035456939 HA Annotated Anodyne C[C@@H]1C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000035456943 HA Annotated Anodyne C[C@H]1C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000035456947 HA Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3C[C@H](O)[C@H](C)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O ZINC000036409802 HA Annotated Anodyne C[C@H]1[C@@H](OS(=O)(=O)O)C[C@@H]2C[C@H]([C@@H](O)c3cc(=O)[nH]c(=O)[nH]3)NC3=[N+]2[C@@H]1CN3 ZINC000036444018 HA Annotated Anodyne C[C@H](N)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000036471339 HA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCOCCO)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000038150268 HA Annotated Mild C/C(=C\CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[C@H]1O ZINC000038289784 HA Annotated Clean in-vitro biogenic C[C@@H](/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038321806 HA Annotated Anodyne in-vitro biogenic C[C@@H](/C=C/[C@@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038346540 HA Annotated Anodyne in-vitro biogenic O=C1N[C@H]2[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]2c2cc3c(c(O)c21)OCO3 ZINC000038427191 HA Annotated Anodyne C=C[C@H](CCCCC)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000038512975 HA Annotated Mild C=C[C@@H](CCCCC)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000038512976 HA Annotated Mild C[C@H]1[C@@H](OS(=O)(=O)O)C[C@@H]2C[C@H]([C@H](O)c3cc(=O)[nH]c(=O)[nH]3)NC3=[N+]2[C@@H]1CN3 ZINC000038559478 HA Annotated Anodyne CC[C@@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038792095 HA Annotated Mild in-vitro C=CC[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038792096 HA Annotated Mild in-vitro biogenic COC1=C(C=O)C(=O)O[C@@]12[C@@H]1O[C@@H]1[C@@]1(O)[C@@H]3C(=O)O[C@H]([C@@H](OC)[C@@]21C)[C@@]3(O)C(C)C ZINC000038799420 HA Annotated Reactive in-vitro biogenic C[C@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c3c(cc4c(c3O)OCO4)[C@H]21 ZINC000038838642 HA Annotated Anodyne CN1CC[C@H](CC(=O)N[C@H]2C=C[C@H](n3ccc(N)nc3=O)O[C@@H]2C(=O)O)NC1=N ZINC000004095670 HA Annotated Anodyne in-vitro CN1CC[C@@H](CC(=O)N[C@H]2C=C[C@H](n3ccc(N)nc3=O)O[C@@H]2C(=O)O)NC1=N ZINC000004095671 HA Annotated Anodyne in-vitro O=[P@@](O)(OCC(O)CO[P@](=O)(O)OC[C@H](O)CO)OC[C@H](O)CO ZINC000004096229 HA Annotated Anodyne in-vitro O=[P@@](O)(OCC(O)CO[P@@](=O)(O)OC[C@H](O)CO)OC[C@@H](O)CO ZINC000004096230 HA Annotated Anodyne in-vitro CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1C(=O)O)C(=N)N ZINC000004096233 HA Annotated Anodyne in-vitro CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1C(=O)O)C(=N)N ZINC000004096234 HA Annotated Anodyne in-vitro O=S(=O)(O)O[C@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H]2CO[C@@H]([C@H]2O)[C@H]1O ZINC000004096561 HA Annotated Anodyne in-vitro CC[C@](C)(O)C/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097560 HA Annotated Mild in-vitro C[S@@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097565 HA Annotated Mild in-vitro C[S@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097566 HA Annotated Mild in-vitro biogenic CSCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097567 HA Annotated Mild in-vitro biogenic C=CC[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097571 HA Annotated Mild in-vitro O=C(O)c1cc(O)c(O[C@@H]2O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 ZINC000004098883 HA Annotated Anodyne in-vitro biogenic C[C@@H]1CN1C[C@H](O)C[C@@H]1C[C@@H]1COC(COC(CO)CO)COC(CO)CO ZINC000040506238 HA Annotated Anodyne CO[C@H]1O[C@@H](CSSC[C@H]2O[C@@H](OC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000040540423 HA Annotated Reactive CO[C@H]1O[C@@H](CSSC[C@H]2O[C@@H](OC)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O ZINC000040540424 HA Annotated Reactive C=CCCC(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](S[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H]1O ZINC000040676979 HA Annotated Mild C=CCCC(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](S[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H]1O ZINC000040676981 HA Annotated Mild C=CCCC(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](S[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O ZINC000040676983 HA Annotated Mild C=CCCC(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](S[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O ZINC000040676985 HA Annotated Mild Nc1ccc(Nc2nc(N3C[C@@H](N)C[C@@H](N)C3)nc(N3C[C@@H](N)C[C@@H](N)C3)n2)cc1 ZINC000040752859 HA Annotated Clean C=C[C@@H](CCCCC)O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000040864389 HA Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CO)N1[C@H]3[C@H]4N[C@H](C[C@H]4[C@@H]4OCCN4[C@@H]23)[C@@H]1O ZINC000042835529 HA Annotated Mild C=C1[C@H]2C[C@H]2[C@@]2(C)[C@H]1CC1=C(C)C(=O)O[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O ZINC000042878678 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC4COCOC4)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000043006924 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC/C=C/CO)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000043006928 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCNC(C)=O)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000043006934 HA Annotated Mild N=C(N)NC[C@@H]1O[C@H](O[C@@H]2O[C@H](CNC(=N)N)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O ZINC000043285435 HA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4OCCO4)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000043422815 HA Annotated Mild CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(=O)(=O)n2ccnc2)O1 ZINC000043598322 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCNCC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000043664441 HA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCNCC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000043664442 HA Annotated Mild COC(=O)[C@H]1CN1C1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000043706163 HA Annotated Mild COC(=O)[C@H]1CN1C1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000043706165 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N(C)CCN(C)C)C3=O)N1C[C@H]1N[C@H]12 ZINC000043706610 HA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N(C)CCN(C)C)C3=O)N1C[C@H]1N[C@H]12 ZINC000043706611 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCN(C)CC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000043938685 HA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCN(C)CC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000043938687 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC[C@@H]4COCO4)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000043946688 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OC[C@H](O)CO)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000044323969 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCN(C)C)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000044324079 HA Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CO)N1[C@H]3[C@H]4N[C@H](C[C@H]4[C@@H]4OCCN4[C@@H]23)[C@H]1C#N ZINC000044359364 HA Annotated Mild O=S(=O)(NCCOCCOCCOCCO)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000473088634 HA Annotated Anodyne N=c1nc(O)c2ncn(CCCn3cc(Cn4cnc5c(O)nc(=N)[nH]c54)nn3)c2[nH]1 ZINC000473113124 HA Annotated Anodyne N=c1nc(O)c2ncn(CCn3cc(Cn4cnc5c(O)nc(=N)[nH]c54)nn3)c2[nH]1 ZINC000473117456 HA Annotated Anodyne CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C(C)=C(NCCNCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000473235028 HA Annotated Mild CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C(C)=C(NCCNCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000473235038 HA Annotated Mild CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C(C)=C(NCCOCCO)C3=O)N1C[C@@H]1N[C@H]12 ZINC000473235092 HA Annotated Mild CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C(C)=C(NCCOCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000473235095 HA Annotated Mild CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C(C)=C(NCCNCCN)C3=O)N1C[C@@H]1N[C@H]12 ZINC000473235156 HA Annotated Mild CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C(C)=C(NCCNCCN)C3=O)N1C[C@H]1N[C@H]12 ZINC000473235159 HA Annotated Mild O=C(O)CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)CP(=O)(O)O ZINC000049015110 HA Annotated Anodyne O=C(O)CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)CP(=O)(O)O ZINC000049015116 HA Annotated Anodyne C[C@@H](/C=C/[C@]1(O)[C@]2(C)CO[C@@]1(C)CC(=O)C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000049054732 HA Annotated Anodyne in-vitro biogenic CC(=O)c1sc2c(c1C)C(=O)N(N)[C@@H](S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N2 ZINC000049112424 HA Annotated Anodyne CC(=O)c1sc2c(c1C)C(=O)N(N)[C@H](S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N2 ZINC000049112425 HA Annotated Anodyne C[C@@H](O)CNC(=O)C[C@H]1O[C@@H](CN(CCNC(=N)N)C(=N)N)[C@H]2OC(C)(C)O[C@@H]12 ZINC000049112599 HA Annotated Anodyne CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CNCCNC(=N)N)[C@H]2OC(C)(C)O[C@@H]12 ZINC000049113943 HA Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCC[C@H](O)C4)C3=O)N1C[C@H]1N[C@H]12 ZINC000049615789 HA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCC[C@H](O)C4)C3=O)N1C[C@H]1N[C@H]12 ZINC000049615790 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@@H]4C(N)=O)C3=O)N1C[C@H]1N[C@H]12 ZINC000049616238 HA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@@H]4C(N)=O)C3=O)N1C[C@H]1N[C@H]12 ZINC000049616239 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCOCC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000049616241 HA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CCOCC4)C3=O)N1C[C@H]1N[C@H]12 ZINC000049616242 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CC[C@H](O)C4)C3=O)N1C[C@H]1N[C@H]12 ZINC000049695174 HA Annotated Mild CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CC[C@H](O)C4)C3=O)N1C[C@H]1N[C@H]12 ZINC000049695175 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)[C@@](C)(Cl)C4(OCCO4)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000049733821 HA Annotated Mild CC(=O)c1sc2c(c1C)C(=O)N(N)[C@@H](S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N2 ZINC000049783722 HA Annotated Anodyne CC(=O)c1sc2c(c1C)C(=O)N(N)[C@H](S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N2 ZINC000049783723 HA Annotated Anodyne CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@@]13C ZINC000049792939 HA Annotated Mild CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N(CCN)CCN)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000049863720 HA Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)C(=C)[C@@H]1C[C@H](O[C@@H]3[C@H](CO)O[C@H](O)[C@H](O)[C@@H]3O)C(=C)[C@H]21 ZINC000523041836 HA Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)C(=C)[C@@H]1C[C@H](O[C@@H]3[C@H](CO)O[C@H](O)[C@H](O)[C@H]3O)C(=C)[C@H]21 ZINC000523041842 HA Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)C(=C)[C@@H]1C[C@H](O[C@@H]3[C@H](CO)O[C@H](O)[C@@H](O)[C@H]3O)C(=C)[C@H]21 ZINC000523041843 HA Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)C(=C)[C@@H]1C[C@H](O[C@@H]3[C@H](CO)O[C@H](O)[C@@H](O)[C@@H]3O)C(=C)[C@H]21 ZINC000523041844 HA Annotated Mild C[S@](=O)/C=C/CC/C(=N/S(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000535360648 HA Annotated Mild C[S@@](=O)/C=C\CC/C(=N/S(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000535360652 HA Annotated Mild C[S@@](=O)/C=C/CC/C(=N/S(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000535360653 HA Annotated Mild C[S@](=O)/C=C\CC/C(=N/S(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000535360654 HA Annotated Mild CC(C)C[C@H](NC(=O)[C@H](O)[C@H](O)[C@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000005759818 HA Annotated Anodyne CC(C)C[C@H](NC(=O)[C@H](O)[C@H](O)[C@H](N)CC(N)=O)[C@H]1Cc2cccc(O)c2C(=O)O1 ZINC000005759824 HA Annotated Anodyne NC(=O)C[C@H](/N=C1\C(=O)O[C@H]([C@H](O)CO)\C1=N/[C@@H](CC(N)=O)C(=O)O)C(=O)O ZINC000005762907 HA Annotated Mild NC(=O)C[C@H](/N=C1\C(=O)O[C@H]([C@H](O)CO)\C1=N/[C@H](CC(N)=O)C(=O)O)C(=O)O ZINC000005762908 HA Annotated Mild O=C1NC(=O)/C(=C/c2ccc(S(=O)(=O)N/N=C\[C@H](O)[C@@H](O)[C@H](O)CO)cc2)N1 ZINC000005823008 HA Annotated Mild CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1/N=C(/C)O ZINC000056870803 HA Annotated Mild in-man CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](C)[C@H](O)[C@H]2O)[C@H]1/N=C(/C)O ZINC000056870862 HA Annotated Mild in-man N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)[C@@H](O)[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000056871241 HA Annotated Anodyne in-vitro N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000056871242 HA Annotated Anodyne in-vitro N[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)[C@@H](O)[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000056871243 HA Annotated Anodyne in-vitro N[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000056871244 HA Annotated Anodyne in-vitro C=C[C@H](CCCCC)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000056874670 HA Annotated Mild in-vitro biogenic C=C[C@@H](CCCCC)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000056874671 HA Annotated Mild in-vitro CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@H](OC)[C@@H](N(C)C(=O)CNC=O)[C@H]2O)O1 ZINC000056874879 HA Annotated Anodyne in-vitro CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@H](OC)[C@@H](N(C)C(=O)CNC=N)[C@H]2O)O1 ZINC000056874882 HA Annotated Anodyne in-vitro CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@H](N)C[C@H](OC)[C@@H](N(C)C(=O)CNC=O)[C@H]2O)O1 ZINC000056874885 HA Annotated Anodyne in-vitro CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@H](N)C[C@H](OC)[C@@H](N(C)C(=O)CNC=N)[C@H]2O)O1 ZINC000056874888 HA Annotated Anodyne in-vitro CCNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@H](OC)[C@@H](N(C)C(=O)CN)[C@H]2O)O1 ZINC000056874891 HA Annotated Anodyne in-vitro CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCOCCO)C3=O)N1C[C@H]1N[C@H]12 ZINC000058496563 HA Annotated Mild C/C=C\OC[C@H](CO[P@](=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O ZINC000584879825 HA Annotated Anodyne C/C=C/OC[C@H](CO[P@](=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O ZINC000584879826 HA Annotated Anodyne C[C@@H](O)[C@@H](C=O)[C@@H]1NC(C(=O)O)=C(S[C@@H]2CN[C@H](CNS(N)(=O)=O)C2)[C@@H]1C ZINC000584905014 HA Annotated Mild Cc1cn([C@@H]2O[C@@]3(COP(=O)(O)O)CS(=O)(=O)N[C@@H]2[C@@H]3O)c(=O)nc1O ZINC000584905613 HA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCC4OCCO4)C3=O)N1C[C@H]1N[C@H]12 ZINC000058525152 HA Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4C[C@H]4C(N)=O)C3=O)N1C[C@H]1N[C@H]12 ZINC000058562068 HA Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N(CCN)CCN)C3=O)N1C[C@H]1N[C@H]12 ZINC000058563419 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCN(C)C)C3=O)N1C[C@H]1N[C@H]12 ZINC000058563610 HA Annotated Mild C=C1[C@@H](O)[C@@]2(O)OC[C@]34[C@@H](C[C@@H]5C(C)=CC(=O)[C@@H](O)[C@@]5(C)[C@@H]23)OC(=O)[C@H](O)[C@]14O ZINC000058568578 HA Annotated Anodyne COC(=O)[C@@H]1CN1C1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000058621999 HA Annotated Anodyne COC[C@@H](O)COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21 ZINC000058623799 HA Annotated Mild CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(OCCNC(C)=O)C3=O)N1C[C@H]1N[C@H]12 ZINC000058635501 HA Annotated Mild N[C@H](CO)C(=O)OC[C@@H](N)C(=O)OC[C@H](NC(=O)c1cccc(O)c1O)C(=O)O ZINC000058638627 HA Annotated Clean CCOC(=O)CC1(n2cc(C#CCNS(=O)(=O)C3CC3)c(N)nc2=O)COC1 ZINC000058650720 HA Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000586939788 HA Annotated Mild CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc4cn[nH]c4cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235003 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(N)c(N)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235058 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(Cl)ncc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235201 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(C)nc(C)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235221 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cnc(Cl)[nH]c-3n2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235226 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(C)c(C)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235261 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3ccc(C#N)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235269 HA Annotated Mild CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(O)nc(N)nc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235391 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(Cl)ncnc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235425 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cncc(Cl)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235447 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(F)cnc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235720 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(Cl)cnc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235804 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(C)cc(C)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587235809 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(O)nc(O)nc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587236043 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(C)c(F)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587236094 HA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(C)ccc(C)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO ZINC000587236109 HA Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCO[C@@H]1O[C@H](c2nc3cnncc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000587274733 HA Annotated Bother Cc1ncc([N+](=O)[O-])n1CCO[C@@H]1O[C@H](c2nc3ncc[nH]c-3n2)[C@@H](O)[C@H](O)[C@H]1O ZINC000587274892 HA Annotated Bother Cc1ncc([N+](=O)[O-])n1CCO[C@@H]1O[C@H](c2nc3cncnc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000587275210 HA Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O)O2 ZINC000587406767 HA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O)O2 ZINC000587406768 HA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)O2 ZINC000587406769 HA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)O2 ZINC000587406770 HA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](N)[C@@H](O[C@H](C)C(=O)O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587431388 HA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](N)[C@@H](O[C@H](C)C(=O)O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587431397 HA Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1CCOCC1)([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587445860 HA Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1CCOCC1)([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587445863 HA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O)[C@@H](C2)C3=O ZINC000587448929 HA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O)[C@@H](C2)C3=O ZINC000587448930 HA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)[C@@H](C2)C3=O ZINC000587448931 HA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)[C@@H](C2)C3=O ZINC000587448932 HA Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000587608304 HA Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC000587608308 HA Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000587608309 HA Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000587608311 HA Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587616607 HA Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587616608 HA Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587616609 HA Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000587616610 HA Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000587619687 HA Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000587619688 HA Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000587619690 HA Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000587619691 HA Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587824673 HA Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587824674 HA Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587824675 HA Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587824676 HA Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825520 HA Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825521 HA Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825522 HA Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825523 HA Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825931 HA Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825932 HA Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825933 HA Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587825934 HA Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587828792 HA Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 ZINC000587828794 HA Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N1 ZINC000587828797 HA Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N1 ZINC000587828799 HA Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831023 HA Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831024 HA Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831025 HA Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831026 HA Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831057 HA Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831059 HA Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831061 HA Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 ZINC000587831063 HA Annotated Anodyne N#C/C(N)=N\CC/N=C(\N)NC(=N)NCCCCCC/N=C(\N)N/C(N)=N/CCN ZINC000059402157 HA Annotated Mild in-vivo COC(=O)C1=CO[C@@H](O[C@@H]2O[C@](C)(CO)[C@H](O)[C@@H](O)[C@H]2O)[C@H]2[C@H]1C[C@H](O)[C@@H]2C ZINC000059585934 HA Annotated Anodyne in-vitro biogenic NC[C@@H]1[C@@H]2CN3C(=O)c4cccn4[C@@H]4N=C(N)N[C@@]43[C@@H]2[C@]2(N=C(N)N[C@@H]2O)[C@@H]1Cl ZINC000059697696 HA Annotated Reactive O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N/C1=C\c1c[nH]c2ccccc12 ZINC000006009798 HA Annotated Mild COCCN1C[C@@H](CO)O[C@@H](n2cnc3c(N4CCN(CCO)CC4)ncnc32)C1 ZINC000061907942 HA Annotated Anodyne COc1cc2c(cc1CNC[C@H]1O[C@@H](n3cnc(C(N)=O)n3)[C@H](O)[C@@H]1O)OCO2 ZINC000061931283 HA Annotated Anodyne CC(C)(O)C#Cc1ccc(CNC[C@H]2O[C@@H](n3cnc(C(N)=O)n3)[C@H](O)[C@@H]2O)s1 ZINC000061935905 HA Annotated Mild NC(=O)c1ncn([C@@H]2O[C@H](CNC3=NS(=O)(=O)c4ccccc43)[C@@H](O)[C@H]2O)n1 ZINC000061935920 HA Annotated Anodyne O=C1NC(=O)[C@@H]2C[C@@H](S(=O)(=O)NCc3ccnc(-n4cccn4)c3)CN[C@H]2N1 ZINC000618014424 HA Annotated Anodyne O=C1NC(=O)[C@@H]2C[C@H](S(=O)(=O)NCc3ccnc(-n4cccn4)c3)CN[C@@H]2N1 ZINC000618014428 HA Annotated Anodyne O=C1NC(=O)[C@@H]2C[C@H](S(=O)(=O)NCc3ccnc(-n4cccn4)c3)CN[C@H]2N1 ZINC000618014429 HA Annotated Anodyne O=C1NC(=O)[C@@H]2C[C@@H](S(=O)(=O)NCc3ccnc(-n4cccn4)c3)CN[C@@H]2N1 ZINC000618014430 HA Annotated Anodyne CC(=O)O[C@]1(C)[C@H](O)c2c(c3c(=O)c4cccc(O)c4c(=O)c=3c2=[N+]=[N-])[C@H](O)[C@H]1O ZINC000064624565 HA Annotated Clean in-vitro CC(=O)O[C@@H]1c2c(c3c(=O)c4cccc(O)c4c(=O)c=3c2=[N+]=[N-])[C@H](O)[C@@H](O)[C@@]1(C)O ZINC000064624568 HA Annotated Clean in-vitro CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](O)[C@H](O)O[C@@H](C)[C@H]2O)[C@H](OC)[C@]1(C)O ZINC000064633705 HA Annotated Anodyne in-vitro CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](O)[C@@H](O)O[C@@H](C)[C@H]2O)[C@H](OC)[C@]1(C)O ZINC000064633706 HA Annotated Anodyne in-vitro CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](O)[C@H](O)O[C@@H](C)[C@H]2O)[C@H](OC)[C@]1(C)O ZINC000064633708 HA Annotated Anodyne in-vitro CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)O[C@@H](C)[C@H]2O)[C@H](OC)[C@]1(C)O ZINC000064633709 HA Annotated Anodyne in-vitro CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](C(=O)O)O[C@H]1O[C@H]1[C@H](O)[C@@H](C)O[C@@H](O)[C@@H]1NC(C)=O ZINC000064633710 HA Annotated Anodyne in-vitro CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](C(=O)O)O[C@H]1O[C@@H]1[C@@H](NC(C)=O)[C@@H](O)O[C@H](C)[C@H]1O ZINC000064633712 HA Annotated Anodyne in-vitro CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@@H](O)[C@@H]2O)[C@H](OC)[C@]1(C)O ZINC000064633734 HA Annotated Anodyne in-vitro CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@H](O)[C@@H]2O)[C@H](OC)[C@]1(C)O ZINC000064633735 HA Annotated Anodyne in-vitro CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@@H](O)[C@@H]2O)[C@H](OC)[C@]1(C)O ZINC000064633737 HA Annotated Anodyne in-vitro CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@H](O)[C@@H]2O)[C@H](OC)[C@]1(C)O ZINC000064633738 HA Annotated Anodyne in-vitro OC[C@H](O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000064633785 HA Annotated Anodyne in-vitro O=C(O)[C@@]1(O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO[C@]2(C(=O)O)C=CC[C@@H]([C@H](O)CO)O2)O1 ZINC000064634113 HA Annotated Anodyne in-vitro O=C(O)C1=C[C@H](OC[C@@H](O)[C@H]2O[C@@](O)(C(=O)O)C[C@@H](O)[C@H]2O)C[C@@H]([C@H](O)CO)O1 ZINC000064634114 HA Annotated Anodyne in-vitro NCC1=CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O1 ZINC000653733686 HA Annotated Anodyne N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H]1O[C@H]1OC(CO)=CC[C@H]1N ZINC000653737680 HA Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C(=O)NCCO)O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000653768336 HA Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C(=O)NCCCO)O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000653770052 HA Annotated Anodyne CCCCc1ccc(N(C[C@@H](O)[C@H](O)[C@H](O)CO)C[C@@H](O)[C@H](O)[C@H](O)CO)cc1 ZINC000653897433 HA Annotated Anodyne CCCCNc1cc(NC[C@H]2O[C@@H](N3C=N[C@H]4C(=O)NC=N[C@@H]43)[C@H](O)[C@@H]2O)ncn1 ZINC000066075845 HA Annotated Anodyne CCCCNc1cc(NC[C@H]2O[C@@H](N3C=N[C@@H]4C(=O)NC=N[C@@H]43)[C@H](O)[C@@H]2O)ncn1 ZINC000066075847 HA Annotated Anodyne CCCCNc1cc(NC[C@H]2O[C@@H](N3C=N[C@H]4C(=O)NC=N[C@H]43)[C@H](O)[C@@H]2O)ncn1 ZINC000066075849 HA Annotated Anodyne CCCCNc1cc(NC[C@H]2O[C@@H](N3C=N[C@@H]4C(=O)NC=N[C@H]43)[C@H](O)[C@@H]2O)ncn1 ZINC000066075852 HA Annotated Anodyne CC(C)Nc1cc(NC[C@H]2O[C@@H](N3C=N[C@H]4C(=O)NC=N[C@@H]43)[C@H](O)[C@@H]2O)ncn1 ZINC000066078220 HA Annotated Anodyne CC(C)Nc1cc(NC[C@H]2O[C@@H](N3C=N[C@@H]4C(=O)NC=N[C@@H]43)[C@H](O)[C@@H]2O)ncn1 ZINC000066078222 HA Annotated Anodyne CC(C)Nc1cc(NC[C@H]2O[C@@H](N3C=N[C@H]4C(=O)NC=N[C@H]43)[C@H](O)[C@@H]2O)ncn1 ZINC000066078223 HA Annotated Anodyne CC(C)Nc1cc(NC[C@H]2O[C@@H](N3C=N[C@@H]4C(=O)NC=N[C@H]43)[C@H](O)[C@@H]2O)ncn1 ZINC000066078225 HA Annotated Anodyne C/N=C(/N)N1CCC(C[C@H](N)CC(=O)N(C)[C@@H]2CN/C(=N/C(N)=O)N=C2O)CC1 ZINC000066136624 HA Annotated Mild C/N=C(/N)N1CCC(C[C@H](N)CC(=O)N(C)[C@H]2CN/C(=N/C(N)=O)N=C2O)CC1 ZINC000066136625 HA Annotated Mild CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@]3(O)[C@@]1(C)[C@@H]2[C@@H](O)[C@H](O)[C@@]3(C)O ZINC000070450861 HA Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3C[C@H](O)[C@H](C)[C@@H]23)[C@H](O)[C@H]1O ZINC000070454597 HA Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2OC=C(C(=O)O)[C@H]3C[C@H](O)[C@H](C)[C@@H]23)O[C@H](CO)[C@H]1O ZINC000070454598 HA Annotated Anodyne C=C[C@H](CCCCC)O[C@@H]1O[C@H](C[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000070455061 HA Annotated Mild in-vitro biogenic OC[C@H]1O[C@@H](CNc2nc(NCCN3CCOCC3)c3nc[nH]c3n2)[C@@H](O)[C@@H]1O ZINC000071318211 HA Annotated Anodyne CC(C)C[C@H](NC(=O)[C@@H](O)CN)C(=O)NC[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000072113067 HA Annotated Bother COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@H](O)C[C@H]2N1Cc1ccc(N2CCOCC2)cc1 ZINC000072187687 HA Annotated Clean CC(C)(O)[C@@H](O)C[C@]1(O)C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc21 ZINC000073168122 HA Annotated Anodyne in-vitro CN1CC[C@@H](CC(=O)N[C@@H]2C=C[C@H](n3ccc(N)nc3=O)O[C@@H]2C(=O)O)N=C1N ZINC000078067329 HA Annotated Anodyne in-vitro C=C1[C@@H](O)[C@@]2(O)OC[C@]34[C@@H](C[C@H]5C(C)=CC(=O)[C@@H](O)[C@@]5(C)[C@@H]23)OC(=O)[C@H](O)[C@]14O ZINC000082123263 HA Annotated Anodyne C=C1[C@@H](O)[C@@]2(O)OC[C@@]34[C@@H]2[C@]2(C)[C@H](O)C(=O)C=C(C)[C@H]2C[C@H]3OC(=O)[C@H](O)[C@]14O ZINC000082123264 HA Annotated Anodyne C=C1[C@@H](O)[C@@]2(O)OC[C@@]34[C@@H]2[C@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)[C@H](O)[C@]14O ZINC000082123267 HA Annotated Anodyne N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)[C@@H](O)[C@H]1CN2C(=O)C[C@H]2O1 ZINC000083922476 HA Annotated Anodyne in-vitro N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)[C@H](O)[C@H]1CN2C(=O)C[C@H]2O1 ZINC000083922479 HA Annotated Anodyne in-vitro CNC[C@H]1CC[C@H](N)[C@H](O[C@@H]2C[C@H](N)[C@H](OC)[C@H](O)[C@@H]2N(C)C(=O)C/N=C/N)O1 ZINC000083923251 HA Annotated Mild in-vitro CNC[C@@H]1CC[C@@H](N)[C@H](O[C@@H]2C[C@H](N)[C@H](OC)[C@H](O)[C@@H]2N(C)C(=O)C/N=C/N)O1 ZINC000083923253 HA Annotated Mild in-vitro CNC[C@H]1CC[C@@H](N)[C@H](O[C@@H]2C[C@H](N)[C@H](OC)[C@H](O)[C@@H]2N(C)C(=O)C/N=C/N)O1 ZINC000083923255 HA Annotated Mild in-vitro CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@@H](N)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)O ZINC000084705179 HA Annotated Anodyne CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@@H](N)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)O ZINC000084705181 HA Annotated Anodyne CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](N)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)O ZINC000084705184 HA Annotated Anodyne CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](N)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)O ZINC000084705186 HA Annotated Anodyne Cn1nc2cc1CNCCNCCNCc1cc(n(C)n1)CNCCNCCNC2 ZINC000084709618 HA Annotated Anodyne C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)CS(=O)(=O)CC(=O)NN)c1=O ZINC000084710312 HA Annotated Reactive C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)CS(=O)(=O)CC(=O)NN)c1=O ZINC000084710313 HA Annotated Reactive CC(C)[C@H](NC(=O)C[C@@H](N)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)N[C@@H](C)C(=O)O ZINC000084726073 HA Annotated Anodyne CC(C)[C@H](NC(=O)C[C@@H](N)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)N[C@@H](C)C(=O)O ZINC000084726076 HA Annotated Anodyne CC(C)[C@H](NC(=O)C[C@H](N)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)N[C@@H](C)C(=O)O ZINC000084726079 HA Annotated Anodyne CC(C)[C@H](NC(=O)C[C@H](N)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)N[C@@H](C)C(=O)O ZINC000084726082 HA Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1Cc1ccc(N2CCOCC2)cc1 ZINC000008679949 HA Annotated Clean COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1Cc1ccc(N2CCOCC2)cc1 ZINC000008679961 HA Annotated Clean CC1=CC(=O)[C@H](O)[C@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O ZINC000085542157 HA Annotated Mild in-vitro biogenic NC(N)=NCCCc1cccc2ncc(OC(=O)[C@@H]3O[C@@](O)(CO)[C@H](O)[C@H]3O)[c-]12 ZINC000085569285 HA Annotated Mild in-vitro biogenic NC[C@@H](O)CCN(O)C(=O)CCC(=O)NC[C@@H](O)CCN(O)C(=O)CCC(=O)O ZINC000085590317 HA Annotated Anodyne in-vitro CC[C@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085880846 HA Annotated Mild in-man CC[C@@](C)(O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085880849 HA Annotated Mild in-man CCC[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085909023 HA Annotated Mild in-man CCC[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085909025 HA Annotated Mild in-man CCC[C@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085909026 HA Annotated Mild in-man CCC[C@@H](O)C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085909028 HA Annotated Mild in-man O[C@H]1CO[C@@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O ZINC000086005481 HA Annotated Anodyne in-man O[C@H]1[C@@H](O[C@H]2O[C@@H](CO[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)CO[C@H]1O ZINC000086005485 HA Annotated Anodyne in-man O[C@H]1CO[C@@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O ZINC000086005489 HA Annotated Anodyne in-man O[C@@H]1[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@H](O[C@H]2[C@H](O)[C@H](O)OC[C@H]2O)[C@@H]1O ZINC000086005491 HA Annotated Anodyne in-man C[C@H](O)/C=C/[C@]1(O)C(C)(C)C[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C[C@@]1(C)O ZINC000086031733 HA Annotated Anodyne in-man C[C@@H](O)/C=C/[C@]1(O)C(C)(C)C[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C[C@@]1(C)O ZINC000086031739 HA Annotated Anodyne in-man C[C@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C[C@@]1(C)O ZINC000086031743 HA Annotated Anodyne in-man C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C[C@@]1(C)O ZINC000086031748 HA Annotated Anodyne in-man O=S(=O)(O)O/N=C(\CCCCS)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086052344 HA Annotated Mild in-man O=S(=O)(O)O/N=C(\CCCCS)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086052345 HA Annotated Mild in-man O=S(=O)(O)O/N=C(\CCCCS)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000086052346 HA Annotated Mild in-man O=S(=O)(O)O/N=C(\CCCCS)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000086052347 HA Annotated Mild in-man C[S@@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086052404 HA Annotated Mild in-man C[S@](=O)CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000086052405 HA Annotated Mild in-man CO[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O)[C@@H]2O)O[C@H](C)[C@@H](NC(=O)CC(C)(C)O)[C@@H]1O ZINC000087527719 HA Annotated Anodyne in-vitro CC1=CC(=O)[C@H](O)[C@]2(C)[C@H]1[C@H](O)[C@H]1OC(=O)[C@@H](C)[C@]3(O)[C@@H](C)[C@H](O)[C@]4(O)OC[C@]13[C@@H]42 ZINC000095098918 HA Annotated Mild in-vitro biogenic CC1=CC(=O)[C@H](O)[C@]2(C)[C@H]1C[C@H]1OC(=O)[C@@H](O)[C@]3(O)[C@@]4(CO4)[C@H](O)[C@]4(O)OC[C@]13[C@@H]42 ZINC000095099389 HA Annotated Mild in-vitro biogenic Cc1ccc(S(=O)(=O)NNC(=O)Cn2ccc(=O)c(S(N)(=O)=O)c2)cc1 ZINC000095559001 HA Annotated Reactive NS(=O)(=O)c1cn(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000095564143 HA Annotated Bother CC(=O)c1cccc(N[C@H]2[C@H](N)[C@@](NC(=O)N(C)C)([C@H](C)O)[C@@](C)(O)[C@@]2(O)CO)c1 ZINC000095588552 HA Annotated Anodyne CC(=O)c1[nH]ccc1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O ZINC000095589217 HA Annotated Anodyne O=C(CC[C@@H](O)Cc1ccc(O)c(O)c1)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000095626058 HA Annotated Clean in-man O=C(CC[C@H](O)Cc1ccc(O)c(O)c1)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000095626059 HA Annotated Clean in-man O=C(CC[C@@H](O)Cc1cc(O)cc(O)c1)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000095626064 HA Annotated Anodyne in-man O=C(CC[C@H](O)Cc1cc(O)cc(O)c1)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000095626065 HA Annotated Anodyne in-man O=C1CC[C@@H](Cc2cc(O)c(O)c(O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)O1 ZINC000095626085 HA Annotated Clean in-man O=C1CC[C@@H](Cc2cc(O)c(O)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)O1 ZINC000095626086 HA Annotated Clean in-man O=C1CC[C@H](Cc2cc(O)c(O)c(O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)O1 ZINC000095626087 HA Annotated Clean in-man O=C1CC[C@H](Cc2cc(O)c(O)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c2)O1 ZINC000095626088 HA Annotated Clean in-man O=C1CC[C@@H](Cc2cc(O)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)O1 ZINC000095626091 HA Annotated Anodyne in-man O=C1CC[C@H](Cc2cc(O)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)O1 ZINC000095626092 HA Annotated Anodyne in-man COc1cc(C[C@@H]2CCC(=O)O2)cc(O)c1O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095626135 HA Annotated Anodyne in-man COc1cc(C[C@H]2CCC(=O)O2)cc(O)c1O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095626136 HA Annotated Anodyne in-man O[C@H]1[C@H](O)CO[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](O)CO[C@@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O ZINC000095635621 HA Annotated Anodyne in-vitro CCN1CCN(C(=O)N[C@H](C)C(=O)N[C@@H]2CN(S(=O)(=O)O)C2=O)C(=O)C1=O ZINC000095889716 HA Annotated Anodyne CCN1CCN(C(=O)N[C@H](C)C(=O)N[C@H]2CN(S(=O)(=O)O)C2=O)C(=O)C1=O ZINC000095889717 HA Annotated Anodyne CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)C(=O)[C@H]3O)[C@H]12 ZINC000095909248 HA Annotated Anodyne C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095909860 HA Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095909861 HA Annotated Anodyne in-vitro biogenic COC(=O)[C@@H](CO)O[C@H](O[C@@H]1OC=C[C@@]2(O)[C@H](O)C[C@](C)(O)[C@@H]12)[C@@H](O)C(=O)OC ZINC000095910129 HA Annotated Anodyne in-vitro biogenic CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]13[C@@H]24 ZINC000095910556 HA Annotated Anodyne in-vitro biogenic C=C1[C@@H](O)[C@]2(O)OC[C@@]34[C@@H](C[C@@H]5C(C)=C[C@H](O)[C@@H](O)[C@]5(C)[C@@H]23)OC(=O)[C@H](O)[C@@]14O ZINC000095911457 HA Annotated Mild in-vitro biogenic OCC(CO)O[C@H]1O[C@@H]([C@@H](O)CO)[C@H](O[C@H]2O[C@@H]([C@@H](O)CO)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000095911552 HA Annotated Anodyne in-vitro biogenic C[C@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@]1(C)O ZINC000095913468 HA Annotated Anodyne in-vitro biogenic C=C1[C@@H](O)[C@]2(O)OC[C@@]34[C@@H](C[C@@H]5C(C)=CC(=O)[C@@H](O)[C@]5(C)[C@@H]23)OC(=O)[C@H](O)[C@@]14O ZINC000095914213 HA Annotated Mild in-vitro biogenic CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(CO4)[C@@H](O)[C@]4(O)OC[C@]13[C@@H]24 ZINC000095914214 HA Annotated Mild in-vitro biogenic O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](O/C=C3\CCC4CC3C4)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O ZINC000095914405 HA Annotated Anodyne in-vitro biogenic CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@H](O)[C@H](O)[C@H](C)[C@]4(O)[C@@H](O)C(=O)O[C@H](C[C@@]12O)[C@]34C ZINC000095919166 HA Annotated Mild in-vitro biogenic C[C@@H](O)[C@@H](C=O)[C@@H]1N=C(C(=O)O)[C@@H](S[C@@H]2CN[C@H](CNS(N)(=O)=O)C2)[C@@H]1C ZINC000095920586 HA Annotated Mild CCOC(=O)Cn1cc(CN2[C@H](C(=O)OC)CN(C3CC3)CCS2(=O)=O)nn1 ZINC000096019695 HA Annotated Anodyne CCOC(=O)Cn1cc(CN2[C@@H](C(=O)OC)CN(C3CC3)CCS2(=O)=O)nn1 ZINC000096019697 HA Annotated Anodyne CCOC(=O)Cn1cc(CN2[C@H](C(=O)OC)CN(CCO)CCS2(=O)=O)nn1 ZINC000096019854 HA Annotated Anodyne CCOC(=O)Cn1cc(CN2[C@@H](C(=O)OC)CN(CCO)CCS2(=O)=O)nn1 ZINC000096019856 HA Annotated Anodyne COCCCn1cc(CN2C[C@H](N3CCN(CCO)CC3)CS2(=O)=O)nn1 ZINC000096020896 HA Annotated Anodyne COCCCn1cc(CN2C[C@@H](N3CCN(CCO)CC3)CS2(=O)=O)nn1 ZINC000096020897 HA Annotated Anodyne COC(=O)CCCn1cc(CN2C[C@@H](N3CCN(C)CC3)CS2(=O)=O)nn1 ZINC000096020934 HA Annotated Anodyne COC(=O)CCCn1cc(CN2C[C@H](N3CCN(C)CC3)CS2(=O)=O)nn1 ZINC000096020935 HA Annotated Anodyne C[C@](O)(CO)[C@@H](O)COC(=O)/C=C/c1ccc(OC[C@@](C)(O)[C@H](O)CO)c(O)c1 ZINC000096085435 HA Annotated Anodyne in-vitro CC(=O)N[C@H]1[C@@H](O)O[C@H](C(N)=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@H]2O)[C@@H]1O ZINC000096095577 HA Annotated Anodyne in-vitro C[C@@H](O)[C@H](N)C(=O)OC[C@@H]1S[C@H](CC=O)S[C@@H]1COC(=O)[C@@H](N)[C@@H](C)O ZINC000096888382 HA Annotated Mild