Cc1ccc(S(=O)(=O)NC[C@]23C=C[C@H](O2)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 ZINC000001022387 HD Annotated Anodyne FC(F)(F)c1cccc(-n2c(Cn3nnc(N4CCOCC4)n3)n[nH]c2=S)c1 ZINC000001044467 HD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001172203 HD Annotated Bother COc1ccc(C(=O)NC[C@]23C=C[C@H](O2)[C@@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000001233481 HD Annotated Anodyne COCCNc1nnc(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000010022446 HD Annotated Reactive CC[C@H](Sc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1)C(=O)O ZINC000010243580 HD Annotated Anodyne CC[C@@H](Sc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1)C(=O)O ZINC000010243581 HD Annotated Anodyne CO[C:20]1=[CH:16][C@H:9]2[C@:5]3([c:3]4[c:2](OS(=O)(=O)O)[c:4]([O:7][CH3:14])[cH:8][cH:13][c:6]4[CH2:12][C@@H:15]2[N:19](C)[CH2:18][CH2:11]3)[CH2:10][C:17]1=[O:21] ZINC000100044517 HD Annotated Mild in-vitro biogenic CO[C:20]1=[CH:16][C@H:9]2[C@@:5]3([c:3]4[c:2](OS(=O)(=O)O)[c:4]([O:7][CH3:14])[cH:8][cH:13][c:6]4[CH2:12][C@@H:15]2[N:19](C)[CH2:18][CH2:11]3)[CH2:10][C:17]1=[O:21] ZINC000100044521 HD Annotated Mild in-vitro biogenic CC1=C[C@H](O)[C@@H]2/C=C/CC[C@H]3O[C@@]3(C)[C@H](O)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@H]13 ZINC000100066239 HD Annotated Anodyne CC1=C[C@@H](O)[C@@H]2/C=C/CC[C@H]3O[C@@]3(C)[C@H](O)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@H]13 ZINC000100066241 HD Annotated Anodyne CC1=C[C@@H](O)[C@H]2/C=C/CC[C@H]3O[C@@]3(C)[C@H](O)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@H]13 ZINC000100066243 HD Annotated Anodyne COC1=C(OC)C(=O)C([C@H]2COc3c(cc(OC)c(OC)c3OC)C2)=C(OC)C1=O ZINC000100069843 HD Annotated Mild C=C1C(=O)[C@@]23[C@@H]4O[C@H]5O[C@@]2(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]52[C@H]3[C@@H](OC(C)=O)C[C@@H]14 ZINC000100076981 HD Annotated Mild in-vitro biogenic C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC)[C@@H](C(=O)NCc2ccccn2)[C@@H]1CO ZINC000100102001 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccn3)N(CCC)[C@@H]21 ZINC000100104946 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1C(=O)C1CCC1 ZINC000100104999 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1C(=O)C1CCC1 ZINC000100105416 HD Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000100130582 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)N(C(=O)CC3CC3)[C@@H]21 ZINC000100139750 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC2CC2)[C@@H](C(=O)NCCC)[C@@H]1CO ZINC000100139754 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC)[C@@H](C(=O)NCC(F)(F)F)[C@@H]1CO ZINC000100139844 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC(F)(F)F)N(CCC)[C@@H]21 ZINC000100139847 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)[C@@H]2N1CC1CCOCC1 ZINC000100139940 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC)[C@H]2N1CC1CCOCC1 ZINC000100139945 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC(F)(F)F)[C@@H](C(=O)NCC)[C@@H]1CO ZINC000100140219 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)N(Cc3nccs3)[C@@H]21 ZINC000100140500 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2nccs2)[C@@H](C(=O)NCC)[C@@H]1CO ZINC000100140503 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)N(C(=O)c3cccnc3)[C@@H]21 ZINC000100140805 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)c2cccnc2)[C@@H](C(=O)NCC)[C@@H]1CO ZINC000100140807 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)[C@@H]2N1Cc1nccs1 ZINC000100141133 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC)[C@H]2N1Cc1nccs1 ZINC000100141138 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1Cc1cccnc1 ZINC000100141306 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1Cc1cccnc1 ZINC000100141310 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)N(Cc3ccccn3)[C@@H]21 ZINC000100141445 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2ccccn2)[C@@H](C(=O)NCCC)[C@@H]1CO ZINC000100141446 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)[C@@H]2N1CCC(F)(F)F ZINC000100141498 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC)[C@H]2N1CCC(F)(F)F ZINC000100141499 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccn3)[C@@H]2N1CCC ZINC000100141501 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCc3ccccn3)[C@H]2N1CCC ZINC000100141502 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)[C@@H]2N1C(=O)c1ccccc1 ZINC000100141616 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC)[C@H]2N1C(=O)c1ccccc1 ZINC000100141617 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2cccnc2)[C@@H](C(=O)NCCC)[C@@H]1CO ZINC000100142095 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)N(Cc3cccnc3)[C@@H]21 ZINC000100142098 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)N(CC3CCOCC3)[C@@H]21 ZINC000100142124 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC2CCOCC2)[C@@H](C(=O)NCC)[C@@H]1CO ZINC000100142126 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCCCC3)N(C(=O)CC)[C@@H]21 ZINC000100142303 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC)[C@@H](C(=O)N2CCCCC2)[C@@H]1CO ZINC000100142308 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3cccc(OC)c3)N[C@@H]21 ZINC000100142496 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N[C@@H](C(=O)NCc2cccc(OC)c2)[C@@H]1CO ZINC000100142500 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1CC1CCOCC1 ZINC000100143220 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1CC1CCOCC1 ZINC000100143224 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)N(Cc3cocn3)[C@@H]21 ZINC000100143290 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2cocn2)[C@@H](C(=O)NCCC)[C@@H]1CO ZINC000100143293 HD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]2[C@H](O)[C@H]([C@@H]13)[C@@]1(OC)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000100268640 HD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]2[C@H](O)[C@@H]([C@@H]13)[C@@]1(OC)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000100268645 HD Annotated Anodyne COc1cccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN(C)C)c1OC ZINC000100270908 HD Annotated Anodyne COc1cccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN(C)C)c1OC ZINC000100270914 HD Annotated Anodyne C=CCN1C(=O)[C@@]2(c3ccccc31)[C@@H](C(=O)c1ccccc1)C(=O)C(=O)N2CCOC ZINC000100292350 HD Annotated Mild C=CCN1C(=O)[C@@]2(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=O)C(=O)N2CCOC ZINC000100292352 HD Annotated Mild C=CCN1C(=O)[C@]2(c3ccccc31)[C@@H](C(=O)c1ccccc1)C(=O)C(=O)N2CCOC ZINC000100292353 HD Annotated Mild C=CCN1C(=O)[C@]2(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=O)C(=O)N2CCOC ZINC000100292354 HD Annotated Mild Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN(C)C)[C@]23C(=O)N(C)c2ccccc23)cc1 ZINC000100292356 HD Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCN(C)C)[C@]23C(=O)N(C)c2ccccc23)cc1 ZINC000100292358 HD Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN(C)C)[C@@]23C(=O)N(C)c2ccccc23)cc1 ZINC000100292360 HD Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCN(C)C)[C@@]23C(=O)N(C)c2ccccc23)cc1 ZINC000100292362 HD Annotated Anodyne CO[C@@H]1C(=O)C(C(C)=O)=C(O)[C@@]2(O)C(=O)c3c(cc4cc(O)cc(O)c4c3O)C[C@@H]12 ZINC000100303007 HD Annotated Mild in-vitro CO[C@@H]1C(=O)C(C(C)=O)=C(O)[C@@]2(O)C(=O)c3c(cc4cc(O)cc(O)c4c3O)C[C@H]12 ZINC000100303010 HD Annotated Mild in-vitro CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@]2(C)O[C@@H](C(=O)[C@H]3O[C@@]32C)[C@@H]1C ZINC000100303076 HD Annotated Mild in-vitro CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@]2(C)O[C@H](C(=O)[C@H]3O[C@@]32C)[C@@H]1C ZINC000100303079 HD Annotated Mild in-vitro CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000100303082 HD Annotated Mild in-vitro CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000100303085 HD Annotated Mild in-vitro CSC[C@@H]1N/C(=C2\CC=CC2=O)[C@@H]([C@@H](C)[C@H]2C(=O)N(C)c3ccccc32)NC1=O ZINC000100305093 HD Annotated Mild in-vitro CSC[C@@H]1N/C(=C2\CC=CC2=O)[C@@H]([C@@H](C)[C@@H]2C(=O)N(C)c3ccccc32)NC1=O ZINC000100305095 HD Annotated Mild in-vitro CSC[C@@H]1N/C(=C2\CC=CC2=O)[C@H]([C@@H](C)[C@H]2C(=O)N(C)c3ccccc32)NC1=O ZINC000100305099 HD Annotated Mild in-vitro CSC[C@@H]1N/C(=C2\CC=CC2=O)[C@H]([C@@H](C)[C@@H]2C(=O)N(C)c3ccccc32)NC1=O ZINC000100305105 HD Annotated Mild in-vitro CCN(CC)S(=O)(=O)c1cccc(C(=O)NN/C=C2\C=CC(=O)C(O)=C2O)c1 ZINC000100432589 HD Annotated Reactive COCCNC(=O)c1c[nH]n2c(=O)cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc12 ZINC000100474980 HD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc(OCC)cc2)[C@H]3C1=O ZINC000100488445 HD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@H](C(=O)Nc2ccc(OCC)cc2)[C@H]3C1=O ZINC000100488447 HD Annotated Anodyne COc1cc(/N=c2/c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)cc(OC)c1 ZINC000100491508 HD Annotated Bother CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(N=O)c(Cl)c1 ZINC000100498201 HD Annotated Mild COc1ccc(C2=C(C(F)(F)F)NN/C2=C2\C=CC(OCC(=O)NN)=CC2=O)cc1 ZINC000100512299 HD Annotated Reactive O=C(O)Cn1cc([125I])c(=O)c([125I])c1 ZINC000100522174 HD Annotated Anodyne in-man O=C(O)Cn1cc([131I])c(=O)c([131I])c1 ZINC000100522178 HD Annotated Anodyne in-man C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](n1cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC000100597428 HD Annotated Bother CN1[C@H]2CC[C@@H]1C[C@@H](n1cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nn1)C2 ZINC000100597508 HD Annotated Bother C/C(NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)=C1/C=CC=CC1=O ZINC000100613828 HD Annotated Reactive COc1ccc(C(=O)NC[C@]23C=C[C@@H](O2)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000100651822 HD Annotated Anodyne COc1ccc(C(=O)NC[C@@]23C=C[C@H](O2)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000100651824 HD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4CC[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000100678683 HD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4CC[C@H]34)[C@@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000100678687 HD Annotated Anodyne CC[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C(=O)[C@H](N)CCCN=C(N)N ZINC000100706967 HD Annotated Mild CC[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C(=O)[C@H](N)CCCN=C(N)N ZINC000100706970 HD Annotated Mild CCN1C[C@@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@H](OC)C[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@@H]6O ZINC000100735585 HD Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@H]6OC)[C@@H](C[C@@H]32)[C@@H]14 ZINC000100735587 HD Annotated Anodyne CCN1C[C@]2(COC)CC[C@@H](OC)[C@]34[C@@H]5C[C@@H]6[C@H](O)[C@H]5[C@@](O)(C[C@H]6OC)[C@H](C[C@H]23)[C@@H]14 ZINC000100735589 HD Annotated Anodyne CC1(C)[C@@H]2CC[C@](C)(O2)[C@@H]1COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1 ZINC000100756070 HD Annotated Anodyne CC1(C)[C@@H](COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccccc2)[C@@]2(C)CC[C@H]1O2 ZINC000100756073 HD Annotated Anodyne Cc1c(N/N=C2/CC[C@H](C)n3c2ncc(C(=O)O)c3=O)c(=O)n(-c2ccccc2)n1C ZINC000100761078 HD Annotated Mild Cc1c(N/N=C2/CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)c(=O)n(-c2ccccc2)n1C ZINC000100761084 HD Annotated Mild CC(C)CC(=O)C1=C(O)[C@](O)(C(=O)C[C@@H]2OC2(C)C)[C@H](C[C@@H](O)C(C)(C)O)C1=O ZINC000100772730 HD Annotated Mild in-man endogenous CC(C)CC(=O)C1=C(O)[C@@](O)(C(=O)C[C@@H]2OC2(C)C)[C@H](C[C@@H](O)C(C)(C)O)C1=O ZINC000100772731 HD Annotated Mild in-man endogenous COc1cc(=O)oc(/C=C\C=C\C=C/[C@@]2(C)O[C@@]3(C)[C@@H](O)O[C@@](C)([C@@H]3O)[C@@H]2O)c1C ZINC000100778715 HD Annotated Anodyne in-man endogenous COc1cc(=O)oc(/C=C\C=C\C=C/[C@]2(C)O[C@@]3(C)[C@@H](O)O[C@@](C)([C@@H]3O)[C@@H]2O)c1C ZINC000100778716 HD Annotated Anodyne in-man endogenous COc1cc(=O)oc(/C=C\C=C\C=C/[C@@]2(C)O[C@]3(C)[C@@H](O)O[C@@](C)([C@@H]3O)[C@@H]2O)c1C ZINC000100778718 HD Annotated Anodyne in-man endogenous COc1cc(=O)oc(/C=C\C=C\C=C/[C@]2(C)O[C@]3(C)[C@@H](O)O[C@@](C)([C@@H]3O)[C@@H]2O)c1C ZINC000100778719 HD Annotated Anodyne in-man endogenous C=C1C(=O)O[C@H]2[C@H]3C(CO)=CC(=O)C3=C(C)C[C@@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12 ZINC000100779254 HD Annotated Mild in-man endogenous CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@]2(O)OC1=O ZINC000100780128 HD Annotated Reactive in-man endogenous CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@]2(O)OC1=O ZINC000100780131 HD Annotated Reactive in-man endogenous CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@]2(O)OC1=O ZINC000100780133 HD Annotated Reactive in-man endogenous CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@]2(O)OC1=O ZINC000100780134 HD Annotated Reactive in-man endogenous C[C@H]1C(=N)/C(=N/Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)[C@@H](C)C1=O ZINC000100789885 HD Annotated Mild C[C@@H]1C(=O)/C(=N\Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=N)[C@@H](C)C1=O ZINC000100789888 HD Annotated Mild C=C(C)[C@H]1C[C@@H]2O[C@@](O)(/C(C)=C\C(=O)/C=C(/C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1OC(C)=O ZINC000100800168 HD Annotated Mild CO[C@@]12[C@H](COC(N)=O)c3c(O)c(/N=C4/C=CN=N4)c(C)c(O)c3N1C[C@H]1N[C@@H]12 ZINC000100825680 HD Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@@H]3O ZINC000100826977 HD Annotated Anodyne in-man COc1ccc2c3c([nH]c2c1)[C@@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@@]1(O)[C@@H]3O ZINC000100826979 HD Annotated Anodyne in-man COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@@]1(O)[C@@H]3O ZINC000100826981 HD Annotated Anodyne in-man O=C1NC(=O)C(/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)C(=O)N1 ZINC000100885547 HD Annotated Mild CN1C[C@@H]2C[C@@H](C1)c1ccc(C3=C4[C@@H]5C[C@H](CN(C)C5)CN4C(=O)CC3)c(=O)n1C2 ZINC000100900274 HD Annotated Anodyne in-vitro CCCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)SC ZINC000100901062 HD Annotated Anodyne CCCC(=O)CC(=O)CC(=O)C[C@@H](O)CC(=O)CC(=O)CC(=O)CC(=O)SC ZINC000100901085 HD Annotated Anodyne CCCC(=O)CC(=O)CC(=O)C[C@H](O)CC(=O)CC(=O)CC(=O)CC(=O)SC ZINC000100901086 HD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 ZINC000100954573 HD Annotated Reactive CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000100954576 HD Annotated Reactive CC(=O)N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)C1 ZINC000100998314 HD Annotated Anodyne CC(=O)N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)C1 ZINC000100998316 HD Annotated Anodyne Cc1nnc(N2CCN(c3cc4c(cc3N)c(=O)c(C(=O)O)cn4C)CC2)s1 ZINC000101018804 HD Annotated Anodyne N[C@H]1[C@@H]2CN(c3c(F)cc(N4C[C@H](CNC(=O)C(F)F)OC4=O)cc3F)C[C@H]12 ZINC000101018961 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3C[C@H]4[C@@H](C3)[C@@H]4C(=O)N(C)C)c(F)c2)C(=O)O1 ZINC000101019180 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(C(=O)C(C)(C)O)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101038246 HD Annotated Anodyne O=C(NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)c(F)c2)C(=O)O1)C1CC1 ZINC000101038323 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101038634 HD Annotated Anodyne O=C(O)C(=O)/C=C(\O)c1cn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O ZINC000101075321 HD Annotated Mild NCCCNc1ccc2c(CN3CCOCC3)nn3c4cccc(O)c4c(=O)c1c23 ZINC000101155829 HD Annotated Bother C[C@@H]1CC/C(=N\Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ncc(C(=O)O)c(=O)n21 ZINC000101168225 HD Annotated Mild C[C@H]1CC/C(=N/Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ncc(C(=O)O)c(=O)n21 ZINC000101168234 HD Annotated Mild C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(=O)CC(=O)c2ccc(F)cc2)[C@H](O)[C@@H]1O ZINC000101226037 HD Annotated Anodyne CC(=O)O[C@@H]1COC(=O)/C1=C/C[C@@H]1[C@@]2(CC[C@H]3[C@@]1(C)CC[C@@H](O)[C@@]3(C)CO)CO2 ZINC000101363499 HD Annotated Anodyne N[C@H]1[C@@H]2CN(c3c(F)cc(N4C[C@H](CNC(=O)CC5CC5)OC4=O)cc3F)C[C@H]12 ZINC000101363760 HD Annotated Anodyne COC(=O)[C@@]12C[C@@H]3C[C@H](C(C)(O)O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3 ZINC000101364222 HD Annotated Anodyne CCC(=O)NC[C@H]1CN(c2cc(F)c(N3C[C@H]4[C@@H](C3)[C@@H]4C(=O)O)c(F)c2)C(=O)O1 ZINC000101375521 HD Annotated Anodyne O=C(NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)c(F)c2)C(=O)O1)C1CCC1 ZINC000101404038 HD Annotated Anodyne CCC(=O)NC[C@H]1CN(c2cc(F)c([C@H]3[C@@H]4CS(=O)(=O)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101404829 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(C(=O)C(F)F)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101404929 HD Annotated Anodyne C[C@@H](/C=C/C=C(/CO)C(N)=O)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@]2(C)CC[C@@H](O2)[C@H]1C ZINC000101407496 HD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@](O)(C=C[C@]12CO)[C@]43O ZINC000101438472 HD Annotated Anodyne C=C1C(=O)[C@@]23[C@H]4[C@@H](OC(C)=O)C[C@@H]1[C@H]2O[C@H]1O[C@@]3(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]142 ZINC000101452147 HD Annotated Mild CCOC(=S)/C=N/Cc1ccc(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1 ZINC000101458224 HD Annotated Mild CCCC[C@@]12[C@H]3[C@H](O)CN1[C@H]1C[C@H]2O[C@@]32O[C@@H]([C@H]3OC(=O)C(C)=C3OC)[C@@H](C)[C@H]12 ZINC000101494668 HD Annotated Anodyne CCCC[C@@]12[C@H]3[C@H](O)CN1[C@H]1C[C@H]2O[C@@]32O[C@H]([C@H]3OC(=O)C(C)=C3OC)[C@@H](C)[C@H]12 ZINC000101494669 HD Annotated Anodyne C=CCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C(/C#N)c1nnc2n1CCCCC2 ZINC000101507594 HD Annotated Mild CCCN1C(=O)N(C)C(=O)[C@@H](C(=O)CSc2nnc(Cc3ccccc3)o2)[C@H]1N ZINC000101512858 HD Annotated Anodyne CCCN1C(=O)N(C)C(=O)[C@@H](C(=O)CSc2nnc(Cc3ccccc3)o2)[C@@H]1N ZINC000101512859 HD Annotated Anodyne CCCN1C(=O)N(C)C(=O)[C@H](C(=O)CSc2nnc(Cc3ccccc3)o2)[C@H]1N ZINC000101512860 HD Annotated Anodyne CCCN1C(=O)N(C)C(=O)[C@H](C(=O)CSc2nnc(Cc3ccccc3)o2)[C@@H]1N ZINC000101512862 HD Annotated Anodyne C=C1C(=O)[C@]23C[C@@H]1C[C@H](O)[C@H]2[C@]1(COC(C)=O)[C@H](CCC(C)(C)[C@H]1CO)OC3=O ZINC000101519515 HD Annotated Mild COC(=O)[C@@]12C[C@@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CC[C@]1(O)C2=Nc2ccc(OC)cc21)C3 ZINC000101543443 HD Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCCCO)C(=O)[C@@]12C ZINC000101582954 HD Annotated Mild C[C@@]12NC(=O)[C@H]([C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]31)n1c2nc2ccccc2c1=O ZINC000101586356 HD Annotated Anodyne CN1C(=O)[C@@]2(C[C@H]3C(=O)N(C)[C@@]2(C)c2nc4ccccc4c(=O)n23)c2ccccc21 ZINC000101591151 HD Annotated Anodyne C=C(C)[C@H]1C/C=C(/C(=O)OC)[C@@H](O)C(=O)C[C@@](C)(O)Cc2cc(C(=O)OC)c(o2)C1 ZINC000101626996 HD Annotated Mild CC1(C)CC(=O)C(/C=N/CCN2CCN(CCCCS(=O)(=O)O)CC2)=C(O)C1 ZINC000101627348 HD Annotated Mild COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@@H]1N(CC[C@]1(O)C2=Nc2ccc(OC)cc21)C3 ZINC000101642038 HD Annotated Anodyne COc1ncc(-c2cc3c(C)nc(N)nc3n([C@@H]3CC[C@H](OCO)CC3)c2=O)cn1 ZINC000101675192 HD Annotated Anodyne COc1ncc(-c2cc3c(C)nc(N)nc3n([C@@H]3CC[C@@H](OCO)CC3)c2=O)cn1 ZINC000101675276 HD Annotated Anodyne CC[N+]1([O-])C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]1[C@H]([C@@H](O)[C@@H]32)[C@@]1(O)CC[C@H]2C[C@@H]4[C@@H]1C(=O)O2 ZINC000101676270 HD Annotated Bother CN1C(=O)[C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@]1(C)c1nc3ccccc3c(=O)n12 ZINC000101685208 HD Annotated Anodyne CN1CCN(Cc2ccc(C(=O)NN3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@@H]65)[C@H]4C3=O)cc2)CC1 ZINC000101686536 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C/C=C(\C)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H](O)[C@@H]12 ZINC000101702542 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@]23C=C[C@@H](O2)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 ZINC000101726128 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@]23C=C[C@H](O2)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 ZINC000101726130 HD Annotated Anodyne N#Cc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000101726540 HD Annotated Mild N#Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000101726544 HD Annotated Mild CN(C)CCn1c(=O)/c(=C\c2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccccc21 ZINC000101727151 HD Annotated Anodyne CN(C)CCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccccc21 ZINC000101727156 HD Annotated Anodyne Cc1ccc2c(c1)/C(=c1/s/c(=C/c3ccc(O)cc3)c(=O)n1CCN(C)C)C(=O)N2 ZINC000101727976 HD Annotated Anodyne Cc1ccc2c(c1)/C(=c1/s/c(=C\c3ccc(O)cc3)c(=O)n1CCN(C)C)C(=O)N2 ZINC000101727979 HD Annotated Anodyne C[S@]1(=O)=NC(N2CCN(C(=O)c3ccco3)CC2)=Nc2cc3c(cc21)OCO3 ZINC000101749265 HD Annotated Anodyne C[S@@]1(=O)=NC(N2CCN(C(=O)c3ccco3)CC2)=Nc2cc3c(cc21)OCO3 ZINC000101749266 HD Annotated Anodyne COCCn1c(SCC(=O)N2CCOCC2)nc2c3ccccc3nc-2c1O ZINC000101808016 HD Annotated Anodyne O=c1c2ncn(COCCO)c2nc2[nH]c(-c3ccc(Br)s3)cn12 ZINC000101809832 HD Annotated Anodyne CN(C)C(=O)N1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101856224 HD Annotated Anodyne CN(C)C(=O)N1C[C@H]2Cc3[nH]ncc3[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101856237 HD Annotated Anodyne COC1=C(C/C=C2/Cc3c(Cl)c(O)cc(O)c3C2=O)C(=O)C(NC=O)=CC1=O ZINC000101856875 HD Annotated Mild C=C1[C@@H]2C[C@H](O)[C@H]3[C@@]45CCCC(C)(C)[C@H]4[C@H](OC(C)=O)[C@@]4(O)O[C@@H]5O[C@@H]2[C@@]34[C@@H]1O ZINC000101916518 HD Annotated Mild C=C1C(=O)[C@]23C[C@@]1(OCC)CC[C@H]2[C@@]12C=CC(=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000101918947 HD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(C(=O)CC#N)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101972105 HD Annotated Mild COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/CCO ZINC000101997840 HD Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/CCO ZINC000101997844 HD Annotated Anodyne CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)[C@H]3O[C@]32C)[C@@H]1C ZINC000101998218 HD Annotated Mild COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/[C@H](C)O ZINC000102029165 HD Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/[C@H](C)O ZINC000102029170 HD Annotated Anodyne CC[C@H](C)[C@@H](NC1=C(Cl)C(=O)C(N[C@@H](C)C(=O)OC)=C(Cl)C1=O)C(=O)OC ZINC000102031993 HD Annotated Mild COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/[C@@H](C)O ZINC000102042161 HD Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/[C@@H](C)O ZINC000102042168 HD Annotated Anodyne N#Cc1c(N)[n+]([O-])c2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)cc2[n+]1[O-] ZINC000102060906 HD Annotated Mild CCN(CC)CCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000102126712 HD Annotated Anodyne CCN(CC)CCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000102126714 HD Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)/C=N/c1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000102185133 HD Annotated Mild CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@H]1C ZINC000102188266 HD Annotated Mild CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000102188268 HD Annotated Mild CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@H]1C ZINC000102188272 HD Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCCCN)C(=O)[C@@]12C ZINC000102228431 HD Annotated Mild CN1C(=O)[C@]2(C[C@H]3C(=O)N(C)[C@@]2(C)c2nc4ccccc4c(=O)n23)c2ccccc21 ZINC000102230752 HD Annotated Anodyne Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)C(NC12CC4CC(CC(C4)C1)C2)=CC3=O ZINC000102245855 HD Annotated Mild CCN(CC)c1ccc(-c2cn3c(=O)c4ncn([C@H]5CO[C@@H](CO)O5)c4nc3[nH]2)cc1 ZINC000102248817 HD Annotated Anodyne COc1ccccc1NC1=CC(=O)c2c(c(C)nc3c2c(=O)n(C)c(=O)n3C)C1=O ZINC000102259843 HD Annotated Mild COc1ccc(OC)c(NC2=CC(=O)c3c(cnc4c3c(=O)n(C)c(=O)n4C)C2=O)c1 ZINC000102262404 HD Annotated Mild Cc1nc2c(c3c1C(=O)C(Nc1ccc([N+](=O)[O-])cc1)=CC3=O)c(=O)n(C)c(=O)n2C ZINC000102271582 HD Annotated Mild CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](OC)[C@H](C)COC(=O)C/C=C\[C@H]1C ZINC000102327550 HD Annotated Anodyne O=c1c(O)c(-c2nnc(Cc3ccc(F)cc3)[nH]2)nc2ccc(N3CCOCC3)cn12 ZINC000102405902 HD Annotated Anodyne CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000102420988 HD Annotated Anodyne CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2ccccn2)cc1 ZINC000102584957 HD Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccccn2)cc1 ZINC000102584964 HD Annotated Mild CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C ZINC000102609901 HD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@H]1C ZINC000102627692 HD Annotated Anodyne O=C(NNC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)c1csc(N2CCOCC2)n1 ZINC000102667619 HD Annotated Reactive O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccn2)/C1=C(/O)c1ccc(F)cc1 ZINC000102696737 HD Annotated Mild O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccn2)/C1=C(/O)c1ccc(F)cc1 ZINC000102696743 HD Annotated Mild CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCCN1CCOCC1)[C@@H](Br)C2=O ZINC000102725467 HD Annotated Reactive CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCCCN1CCOCC1)[C@@H](Br)C2=O ZINC000102725471 HD Annotated Reactive CC(C)=CCC/C(C)=C/CO/N=C1\[C@@H]2CCn3c(=O)n(C)c(=O)n3[C@H]2[C@H](O)[C@H]2O[C@H]12 ZINC000102738394 HD Annotated Mild CC[C@@H](/C=C/C=C/C=C/C(=O)c1c(O)c([C@@]2(O)CC[C@H](O)CC2)cn(O)c1=O)CO ZINC000102809556 HD Annotated Mild CC[C@H](/C=C/C=C/C=C/C(=O)c1c(O)c([C@@]2(O)CC[C@H](O)CC2)cn(O)c1=O)CO ZINC000102809558 HD Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1CC(C2C(=O)N(C)C(=O)N(C)C2=O)=NN1 ZINC000102828044 HD Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1CC(C2C(=O)N(C)C(=O)N(C)C2=O)=NN1 ZINC000102828050 HD Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1CC(C2C(=O)NC(=S)NC2=O)=NN1 ZINC000102892382 HD Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1CC(C2C(=O)NC(=S)NC2=O)=NN1 ZINC000102892384 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](OC(C)=O)C/C=C(\C)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H](O)[C@@H]12 ZINC000102915473 HD Annotated Anodyne Cc1ccccc1NC(=O)[C@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N\NC(N)=S ZINC000102918307 HD Annotated Mild Cc1ccccc1NC(=O)[C@@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N\NC(N)=S ZINC000102918308 HD Annotated Mild COc1ccc(N2C(=O)[C@@H]3CN(C)[C@@]4(C(=O)Nc5ccc(OC)cc54)[C@H]3C2=O)cc1 ZINC000102931005 HD Annotated Anodyne Cc1c(C(=O)CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000102934276 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(CO)/C=C\[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/COC(C)=O)[C@@H]12 ZINC000102935824 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(CO)/C=C\[C@@H]3O[C@]3(C)C[C@H](OC(=O)/C(C)=C/COC(C)=O)[C@@H]12 ZINC000102935827 HD Annotated Anodyne Cc1ccccc1NC(=O)/C(=N/NC(=O)CC#N)[C@@H]1C(=O)N(c2ccccc2)N=C1N ZINC000102952278 HD Annotated Reactive Cc1cccc(C)c1NC(=O)CCCC(=O)[C@@H]1CCC/C1=N\NC(=O)C(=O)NN ZINC000102953135 HD Annotated Reactive Cc1cccc(C)c1NC(=O)CCCC(=O)[C@H]1CCC/C1=N\NC(=O)C(=O)NN ZINC000102953137 HD Annotated Reactive CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc(Br)cc2)[nH]c1=O ZINC000102975857 HD Annotated Anodyne CC(C)[C@H]1CNC(=O)[C@@]2(/C=N/[C@H](C(C)C)CNC(=O)[C@]3(/C=N/1)CCCO3)CCCO2 ZINC000102981237 HD Annotated Anodyne C=CCOC(=O)N1c2ccc(O)cc2[C@@]23O[C@]24[C@@H](C)CC(=O)[C@@]3(O)C#C/C=C\C#C[C@H]14 ZINC000102982238 HD Annotated Mild C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4C[C@@H](C(N)=O)C[C@@H]4O)c3n2)CC1 ZINC000102993780 HD Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4C[C@H](C(N)=O)C[C@@H]4O)c3n2)CC1 ZINC000102993783 HD Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4C[C@@H](C(=O)O)C[C@@H]4O)c3n2)CC1 ZINC000102994197 HD Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4C[C@H](C(=O)O)C[C@@H]4O)c3n2)CC1 ZINC000102994201 HD Annotated Anodyne O=c1c(OS(=O)(=O)O)c(-c2ccccc2OS(=O)(=O)O)oc2ccccc12 ZINC000103002628 HD Annotated Anodyne COc1cccc([C@H]2N[C@@](CCSC)(C(=O)O)[C@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O ZINC000103004781 HD Annotated Clean COc1cccc([C@@H]2N[C@@](CCSC)(C(=O)O)[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]32)c1O ZINC000103004784 HD Annotated Clean Cc1ccc(NC(=O)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)/C2=N\NC(N)=S)cc1 ZINC000103010501 HD Annotated Mild Cc1ccc(NC(=O)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)/C2=N\NC(N)=S)cc1 ZINC000103010504 HD Annotated Mild C[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)C=C(NCCc1ccccc1)C3=O ZINC000103023569 HD Annotated Mild NC(=O)Cc1cc([N+](=O)[O-])ccc1CO[P@](N)(=O)N(CCCl)CCCl ZINC000103064283 HD Annotated Reactive CCCC[C@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)[C@H]([C@H]6OC(=O)C(CO)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000103106497 HD Annotated Anodyne CCCC[C@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)[C@@H]([C@H]6OC(=O)C(CO)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000103106499 HD Annotated Anodyne CCCC[C@]12[C@H]3[C@H](O)CN1[C@H]1C[C@H]2O[C@@]32O[C@@H]([C@H]3OC(=O)C(C)=C3OC)[C@@H](C)[C@H]12 ZINC000103106656 HD Annotated Anodyne CCCC[C@]12[C@H]3[C@H](O)CN1[C@H]1C[C@H]2O[C@@]32O[C@H]([C@H]3OC(=O)C(C)=C3OC)[C@@H](C)[C@H]12 ZINC000103106660 HD Annotated Anodyne C[C@@H]1NS(=O)(=O)[C@H]2C[C@H]3C=C[C@]2(O3)[C@H]1OC(=O)c1ccccc1Br ZINC000103108775 HD Annotated Anodyne C=C1[C@H](OC(=O)C(C)C)[C@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CCC[C@]57[C@H]([C@@H]2C[C@@]1(O)[C@H](O)[C@@H]73)N4C6 ZINC000103109541 HD Annotated Mild C=C1C(=O)[C@@]23C[C@H]1CC[C@H]2[C@@]12CO[C@H](O)[C@H]1C(C)(C)[C@H](OC(C)=O)C[C@H]2OC3=O ZINC000103109566 HD Annotated Mild C=C1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@@]12CO[C@H](O)[C@H]1C(C)(C)[C@H](OC(C)=O)C[C@H]2OC3=O ZINC000103109568 HD Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2cccnc2)cc1 ZINC000103128690 HD Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccnc2)cc1 ZINC000103128692 HD Annotated Mild CCOC(=O)[C@H]1C(=O)N=C2SC(S(N)(=O)=O)=NN2[C@H]1c1ccc(Cl)cc1 ZINC000103130984 HD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N=C2SC(S(N)(=O)=O)=NN2[C@H]1c1ccc(Cl)cc1 ZINC000103130988 HD Annotated Anodyne CCOC(=O)[C@H]1C(=O)N=C2SC(S(N)(=O)=O)=NN2[C@@H]1c1ccc(Cl)cc1 ZINC000103130990 HD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N=C2SC(S(N)(=O)=O)=NN2[C@@H]1c1ccc(Cl)cc1 ZINC000103130992 HD Annotated Anodyne CCOC(=O)CC(=N)N(NC(=O)CC#N)c1nc(-c2ccccc2)c(C#N)c(=O)n1C ZINC000103135986 HD Annotated Reactive COC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)O[C@H]1O[C@H](CO)[C@@H](O)C1(F)F ZINC000103146406 HD Annotated Anodyne N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000103147697 HD Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-] ZINC000103147748 HD Annotated Mild CC1=C(C(=O)O[C@@]23OC[C@]4(C)[C@@]5(O)CC[C@@H](C)[C@@]5(CC(=O)[C@]24C)[C@H]3O)CCC1=O ZINC000103148145 HD Annotated Mild COc1cccc2c1C(=O)C(NCCOC(=O)[C@@H](NC(C)=O)C(C)C)=C(C)C2=O ZINC000103174896 HD Annotated Mild N=C1C2=C3CCCN3[C@](O)(N3CCOCC3)[C@@H]2NC(=O)N1c1ccc(Cl)cc1 ZINC000103174996 HD Annotated Anodyne COc1ccc(NS(=O)(=O)C(F)F)c([C@H](O)c2nc(OC)cc(OC)n2)c1 ZINC000103176324 HD Annotated Anodyne COc1ccc(NS(=O)(=O)C(F)F)c([C@@H](O)c2nc(OC)cc(OC)n2)c1 ZINC000103176326 HD Annotated Anodyne COc1ccc([C@H](O)c2nc(OC)cc(OC)n2)c(NS(=O)(=O)C(F)F)c1 ZINC000103176339 HD Annotated Anodyne COc1ccc([C@@H](O)c2nc(OC)cc(OC)n2)c(NS(=O)(=O)C(F)F)c1 ZINC000103176341 HD Annotated Anodyne COC(=O)[C@@]12C[C@@H]3C[C@@H]([C@H](C)O)[C@@H]1NCCc1c2n(c2cc(OC)ccc12)[C@H]3O ZINC000103179086 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@H]2[C@@H](NN3C(=O)c4ccccc4C3=O)C(=O)N12 ZINC000103180018 HD Annotated Anodyne CCC#CCOc1ccc(CCNC(=O)[C@H](CCC)NS(C)(=O)=O)cc1OC ZINC000103181064 HD Annotated Mild CCC#CCOc1ccc(CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)cc1OC ZINC000103181067 HD Annotated Mild C=CC[C@@H](NS(C)(=O)=O)C(=O)NCCc1ccc(OCC#CCC)c(OC)c1 ZINC000103182368 HD Annotated Mild C=CC[C@H](NS(C)(=O)=O)C(=O)NCCc1ccc(OCC#CCC)c(OC)c1 ZINC000103182371 HD Annotated Mild COC(=O)C1=C[C@@H]2C3=C(NCCCN)c4cc(C(=O)OC)ccc4N(C)C3=N[C@H]2C=C1 ZINC000103185321 HD Annotated Anodyne COC(=O)C1=C[C@@H]2C3=C(NCCCN)c4cc(C(=O)OC)ccc4N(C)C3=N[C@@H]2C=C1 ZINC000103185323 HD Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCCN)c4cc(C(=O)OC)ccc4N(C)C3=N[C@H]2C=C1 ZINC000103185325 HD Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCCN)c4cc(C(=O)OC)ccc4N(C)C3=N[C@@H]2C=C1 ZINC000103185326 HD Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6O ZINC000103189958 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@H]2[C@@H](NC(=O)COc3ccccc3)C(=O)N12 ZINC000103195394 HD Annotated Anodyne COc1ccc([C@@H]2[C@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)cc1O ZINC000103196950 HD Annotated Reactive COc1ccc([C@H]2[C@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)cc1O ZINC000103196952 HD Annotated Reactive COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)cc1O ZINC000103196954 HD Annotated Reactive COc1ccc([C@H]2[C@@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)cc1O ZINC000103196956 HD Annotated Reactive COc1cc([C@@H]2[C@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)ccc1O ZINC000103197020 HD Annotated Reactive COc1cc([C@H]2[C@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)ccc1O ZINC000103197023 HD Annotated Reactive COc1cc([C@@H]2[C@@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)ccc1O ZINC000103197026 HD Annotated Reactive COc1cc([C@H]2[C@@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)ccc1O ZINC000103197028 HD Annotated Reactive COc1nc(C)nc(NC(=O)NS(=O)(=O)c2sccc2COCCF)n1 ZINC000103199240 HD Annotated Anodyne COc1cc(C(=O)Oc2ccc(C[C@H]3NC(=S)NC3=O)cc2)cc(OC)c1OC ZINC000103199382 HD Annotated Anodyne COc1cc(C(=O)Oc2ccc(C[C@@H]3NC(=S)NC3=O)cc2)cc(OC)c1OC ZINC000103199384 HD Annotated Anodyne O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103199398 HD Annotated Bother O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000103199402 HD Annotated Bother C[C@@H]1C(=O)N2c3ccccc3[C@@]3(O)C[C@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23 ZINC000103202553 HD Annotated Anodyne CCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)N(CCC(C)C)CC(=O)NO)s1 ZINC000103204153 HD Annotated Bother CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(N2CCOCC2)nn1)SC ZINC000103209047 HD Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(N2CCOCC2)nn1)C(C)C ZINC000103222721 HD Annotated Reactive CC[C@H](O[P@](=O)(CC[C@H](N)C(=O)O)Oc1ccccc1)C(=O)NCC(=O)O ZINC000103233410 HD Annotated Anodyne O=C(CO[C@H](CO)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)NO ZINC000103233457 HD Annotated Mild O=C(CO[C@@H](CO)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)NO ZINC000103233459 HD Annotated Mild NC(=S)NN1C(=O)C(c2c[nH]c3ccccc23)=C(c2n[nH]c3ncccc23)C1=O ZINC000103233925 HD Annotated Anodyne COC(=O)CN1C(=O)C(c2c[nH]c3ccccc23)=C(c2n[nH]c3ncccc23)C1=O ZINC000103233927 HD Annotated Anodyne O=C1NC(=O)C(/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)C(=O)N1 ZINC000103235922 HD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(OC[C@@H](O)CNc3ccccn3)c(F)c2)C(=O)O1 ZINC000103238715 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(OC[C@H](O)CNc3ccccn3)c(F)c2)C(=O)O1 ZINC000103238717 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(OC[C@@H](O)CNc3cccnc3)c(F)c2)C(=O)O1 ZINC000103238720 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(OC[C@H](O)CNc3cccnc3)c(F)c2)C(=O)O1 ZINC000103238722 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(OC[C@@H](O)CNc3ccncc3)c(F)c2)C(=O)O1 ZINC000103238724 HD Annotated Anodyne COC[C@H]1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000103240345 HD Annotated Anodyne COC[C@@H]1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O ZINC000103240356 HD Annotated Anodyne COC[C@H]1C(=O)[C@@]23[C@@H](C(=O)C[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O ZINC000103240358 HD Annotated Anodyne CCOC(=O)Cn1cnc2c(N3CCOCC3)nc(NC(=O)C3CCCCC3)nc21 ZINC000103250609 HD Annotated Anodyne COc1cnc2c(c1)C(=O)c1c-2n(CCCNCCO)c(=O)c2cc([N+](=O)[O-])ccc12 ZINC000103250722 HD Annotated Bother C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Br)c2)n(C)c1=O ZINC000103251257 HD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(OC[C@@H](O)CNCCC(C)C)c(F)c2)C(=O)O1 ZINC000103251735 HD Annotated Anodyne CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccnc3F)c(F)cc1O[C@H]1CCOC[C@@H]12 ZINC000103253309 HD Annotated Anodyne C=CC(=O)Nc1ccnc(Sc2c(OC)nc(N3CCN(C)CC3)nc2OC)n1 ZINC000103253572 HD Annotated Anodyne C=CC(=O)Nc1ccnc(Sc2c(OC)nc(N3CCOCC3)nc2OC)n1 ZINC000103253574 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(OC[C@H](O)CNc3ccncc3)c(F)c2)C(=O)O1 ZINC000103254650 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(OC[C@H](O)CNCCC(C)C)c(F)c2)C(=O)O1 ZINC000103254663 HD Annotated Anodyne CCC(=O)Nc1ccnc(Sc2c(OC)nc(N3CCN(C)CC3)nc2OC)n1 ZINC000103254968 HD Annotated Anodyne COc1nc(N2CCN(C)CC2)nc(OC)c1Sc1nccc(NC(C)=O)n1 ZINC000103254978 HD Annotated Anodyne CCOC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)c1[C@H](O)[C@@H](O)[C@H](C)O ZINC000103256600 HD Annotated Anodyne NCCn1cc(-c2ccc3ccc4ccc(-c5cn(CCN)nn5)nc4c3n2)nn1 ZINC000103257639 HD Annotated Bother CCOC(=O)C1=C(C)N(C(C(=O)OCC)C(=O)OCC)C(C)=C(C(=O)OCC)C1 ZINC000103258819 HD Annotated Anodyne COc1ccccc1CNC(=O)CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000103261974 HD Annotated Anodyne O=C(CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCCc1ccc(O)cc1 ZINC000103261976 HD Annotated Anodyne O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(OC(F)(F)F)cccc21 ZINC000103262531 HD Annotated Anodyne NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1 ZINC000103269635 HD Annotated Bother C[C@H]1CCC[C@H](SC[C@@H](O)C(=O)O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1 ZINC000103273741 HD Annotated Anodyne CCc1cc(C)cc(CC)c1-c1c(OS(=O)(=O)N(C)C)n2n(c1=O)CCOCC2 ZINC000103274644 HD Annotated Anodyne CC1=CC2=NC(=O)/C(=C\NNC(=O)c3ccc(Br)cc3)C(=O)N2C=C1 ZINC000103278685 HD Annotated Reactive O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2S1(=O)=O ZINC000103282039 HD Annotated Anodyne COc1cc(-c2nnc(NC(=O)C[C@H]3SC(=O)NC3=O)s2)cc(OC)c1OC ZINC000103282968 HD Annotated Anodyne COc1cc(-c2nnc(NC(=O)C[C@@H]3SC(=O)NC3=O)s2)cc(OC)c1OC ZINC000103282971 HD Annotated Anodyne C/C=C1/C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000103287942 HD Annotated Mild Cc1ccc(-c2cc3nc(SCc4[nH]c(=O)[nH]c(=O)c4Cl)[nH]c(=O)n3n2)cc1 ZINC000103288834 HD Annotated Anodyne O=c1[nH]c(CSc2nc3cc(-c4ccccc4)nn3c(=O)[nH]2)c(Cl)c(=O)[nH]1 ZINC000103288844 HD Annotated Anodyne O=c1[nH]c(CSc2nc3c(-c4ccccc4)cnn3c(=O)[nH]2)c(Cl)c(=O)[nH]1 ZINC000103288861 HD Annotated Anodyne O=c1[nH]c(CSc2nc3c(-c4ccc(F)cc4)cnn3c(=O)[nH]2)c(Cl)c(=O)[nH]1 ZINC000103288864 HD Annotated Anodyne Cc1ccc(-c2cnn3c(=O)[nH]c(SCc4[nH]c(=O)[nH]c(=O)c4Cl)nc23)cc1 ZINC000103288874 HD Annotated Anodyne O=c1[nH]c(CSc2nc3cc(-c4ccc(F)cc4)nn3c(=O)[nH]2)c(Cl)c(=O)[nH]1 ZINC000103288895 HD Annotated Anodyne CC(=O)OC[C@]12[C@H](CCC[C@]13CO3)[C@@]1(C[C@@H](c3ccoc3)O[C@@H]1O)[C@H](C)[C@@H](O)[C@@H]2O ZINC000103290506 HD Annotated Anodyne C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N/N=C/O)cn1c23 ZINC000103290976 HD Annotated Reactive C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N/N=C/O)cn1c23 ZINC000103290978 HD Annotated Reactive Nc1nc(C(=O)CCNC(=O)c2cc(Br)c(Br)[nH]2)c[nH]1 ZINC000103298105 HD Annotated Anodyne O=C1CNCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000103302833 HD Annotated Mild O=C1CNCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000103302835 HD Annotated Mild O=C(NCCN1CCOCC1)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103303005 HD Annotated Anodyne CNC(=N)N1C=C[C@H]2C=C[C@@H]3[C@](O)(COC)C(C(=O)O)=C4C[C@H]5CC[C@@H](C)[C@]43[C@@]25C1 ZINC000103524767 HD Annotated Anodyne in-vitro biogenic CNC[C@@H]1C=CN2C[C@@]13[C@H]1CC4=C(C(=O)O)[C@@H](O)C[C@]43[C@H](C)C[C@H]1C#CC/N=C\2NC ZINC000103524801 HD Annotated Mild in-vitro biogenic CNC[C@@H]1C=CN(C(=N)NC)C[C@@]12[C@@H]1CC[C@H]3CCC[C@@H]4[C@@H](O)C(C(=O)O)=C(C1)[C@]432 ZINC000103524807 HD Annotated Anodyne in-vitro biogenic CN/C1=N/CC#C[C@@H]2C[C@@H](C)[C@@]34C[C@](O)(C=O)C(C(=O)O)=C3C[C@@H]2[C@]42CC=CN1C2 ZINC000103524848 HD Annotated Mild in-vitro biogenic CNC[C@H]1C=CN(C(=N)NC)C[C@@]12[C@@H]1CC[C@@H](C)[C@]23C[C@H](C=O)C(C(=O)O)=C3C1 ZINC000103524868 HD Annotated Mild in-vitro biogenic CNCCNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@](O)(C=O)C(C(=O)O)=C3C1 ZINC000103524877 HD Annotated Mild in-vitro biogenic CNC(=N)N1C=C[C@H](CNCCO)[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23CCC(C(=O)O)=C3C1 ZINC000103524892 HD Annotated Anodyne in-vitro biogenic CNCCNC(=N)N1C=C[C@H](CNC)[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23CCC(C(=O)O)=C3C1 ZINC000103524974 HD Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C2N=C(S[C@H](C(C)=O)C(=O)OCC)c3ccccc3N2NN1 ZINC000103527628 HD Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2C(/C=N/C23CN4CN(CN(C4)C2)C3)=C1O ZINC000103529476 HD Annotated Mild O=C(Cn1ncc2c3ccccc3nc-2c1O)N1CCN(C(=O)c2ccco2)CC1 ZINC000103535960 HD Annotated Anodyne C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](OC(=O)C(C)C)C[C@@]5(C)CN4[C@@H]6[C@@]2(O)[C@@H](O)[C@@H]1[C@@H](O)[C@H]73 ZINC000103556106 HD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]52[C@H]3[C@@H](OC(C)=O)C[C@@H]14 ZINC000103572024 HD Annotated Mild in-vitro biogenic C=C1C[C@H]2OC(=O)C3=C[C@@H](O)C[C@@H]4[C@@]1(C[C@H](OC(C)=O)c1ccoc1)[C@H](O)OC[C@]342 ZINC000103585203 HD Annotated Mild in-vitro biogenic CCc1nc2nc(C)c(NS(=O)(=O)c3ccc(Br)s3)c(=O)n2[nH]1 ZINC000103695807 HD Annotated Anodyne COc1ccccc1C1=C(C(F)(F)F)NN/C1=C1\C=CC(OCC(=O)NN)=CC1=O ZINC000103761643 HD Annotated Reactive CCN(CC)S(=O)(=O)c1cccc(C(=O)NN/C(C)=C2\C=CC(=O)C=C2O)c1 ZINC000103788049 HD Annotated Reactive C=CCn1c(SCC(=O)N2CCOCC2)nc(=O)c(Cc2ccccc2)c1O ZINC000103834077 HD Annotated Mild CC1CCN(C(=O)C2CCC(C/N=c3/c(N4CCOCC4)c(O)c3=O)CC2)CC1 ZINC000103902807 HD Annotated Anodyne COc1ccc(CCNC(=O)C2=C/C(=C3/C=C(Cl)C=CC3=O)NN2)cc1OC ZINC000103918023 HD Annotated Mild CCN1C[C@]2(COC)CC[C@H](O)[C@]34[C@@H]1[C@H](C[C@H]23)[C@]1(O)CC[C@@H]2C[C@@H]4[C@@H]1[C@@H]2OC(C)=O ZINC000103940954 HD Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](O)[C@]34[C@@H]1[C@H](C[C@@H]32)[C@]1(O)CC[C@@H]2C[C@@H]4[C@@H]1[C@@H]2OC(C)=O ZINC000103940960 HD Annotated Anodyne CC(C)N1C(=O)/C(=N\NC(=O)Cc2csc(N3CCOCC3)n2)c2ccccc21 ZINC000104004602 HD Annotated Reactive O=C1C([N+](=O)[O-])=CC(Br)=C/C1=C\NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000104016517 HD Annotated Mild COC1=CC(=C2NN=C(SCC(=O)Nc3cc(C)on3)N2C)C=C(OC)C1=O ZINC000104024762 HD Annotated Mild CCN1C(SCC(=O)N(C(C)C)C(C)C)=NN/C1=C1\C=c2ccccc2=CC1=O ZINC000104024804 HD Annotated Mild NC(=O)C1CCN(C(=O)C2=CC3=N[C@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)CC1 ZINC000104038504 HD Annotated Anodyne NC(=O)C1CCN(C(=O)C2=CC3=N[C@@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)CC1 ZINC000104038509 HD Annotated Anodyne NC(=O)C1CCN(C(=O)C2=CC3=N[C@H](c4ccco4)C[C@@H](C(F)(F)F)N3N2)CC1 ZINC000104038513 HD Annotated Anodyne NC(=O)C1CCN(C(=O)C2=CC3=N[C@@H](c4ccco4)C[C@@H](C(F)(F)F)N3N2)CC1 ZINC000104038519 HD Annotated Anodyne COc1cccc([C@H]2N[C@](CCSC)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1O ZINC000104112280 HD Annotated Clean CCCCCCC1=Cc2c/c(=C3\NN/C(=C4\C=CC=CC4=O)O3)c(=O)oc2=CC1=O ZINC000104169828 HD Annotated Mild CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N2/C1=N\Cc1ccccc1 ZINC000104188693 HD Annotated Mild CCC/N=C1/N(C)C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C(=O)OC)N12 ZINC000104188775 HD Annotated Mild CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N2/C1=N\C ZINC000104188802 HD Annotated Mild CC(C)[C@@H]1CNC(=O)[C@]2(/C=N/[C@H](C(C)C)CNC(=O)[C@]3(/C=N/1)CCCO3)CCCO2 ZINC000104208608 HD Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 ZINC000104301986 HD Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 ZINC000104301991 HD Annotated Anodyne COc1cc(=O)oc(/C=C\C=C\C=C/[C@@]2(C)O[C@]3(C)[C@@H](O)[C@](C)(O[C@H]3O)[C@H]2O)c1C ZINC000104367318 HD Annotated Anodyne in-man COc1cc(=O)oc(/C=C\C=C\C=C/[C@]2(C)O[C@]3(C)[C@@H](O)[C@](C)(O[C@H]3O)[C@H]2O)c1C ZINC000104367320 HD Annotated Anodyne in-man COc1cc(=O)oc(/C=C\C=C\C=C/[C@@]2(C)O[C@]3(C)[C@@H](O)[C@](C)(O[C@H]3O)[C@@H]2O)c1C ZINC000104367323 HD Annotated Anodyne in-man COc1cc(=O)oc(/C=C\C=C\C=C/[C@]2(C)O[C@]3(C)[C@@H](O)[C@](C)(O[C@H]3O)[C@@H]2O)c1C ZINC000104367326 HD Annotated Anodyne in-man C=CCN1C(=O)[C@H]2[C@H](C(=O)NCc3ccccc3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000104410636 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3C(COC(=O)Cc4ccc(O)cc4)=CC(=O)C3=C(C)C[C@@H](O)[C@@H]12 ZINC000104966740 HD Annotated Mild CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@@H]1O)[C@H]32 ZINC000105126996 HD Annotated Anodyne CC(=O)OC[C@@H]1O[C@](COC(C)=O)(c2ccc(C)cc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000105156299 HD Annotated Anodyne CC(=O)OC[C@@H]1O[C@](COC(C)=O)(c2ccc(C)cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000105156306 HD Annotated Anodyne COCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1F ZINC000105179902 HD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000105236918 HD Annotated Anodyne COC(=O)C1(C(=O)OC)[C@@H]2[C@H]1C(=O)[C@@H]1[C@@H]2C1(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000105281134 HD Annotated Anodyne COC(=O)C1(C(=O)OC)[C@H]2[C@H]3[C@@H](C(=O)[C@H]21)C3(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000105281137 HD Annotated Anodyne CC1(C)OC[C@H]([C@@H]2O[C@H](On3nnc4ccc(Cl)cc43)[C@H]3OC(C)(C)O[C@H]23)O1 ZINC000105389175 HD Annotated Anodyne O=C1OC(=O)[C@@H]2[C@@H]1C1C(c3ccccc3)=C(c3ccccc3)C2(O)[C@@H]2C(=O)OC(=O)[C@@H]12 ZINC000105490032 HD Annotated Reactive C=CCOC(=O)N1c2ccc(O)cc2[C@@]23O[C@]24[C@@H](C)CC(=O)[C@@]3(O)C#C/C=C/C#C[C@H]14 ZINC000105521984 HD Annotated Mild CSC[C@@H]1N/C(=C2/CC=CC2=O)[C@H]([C@@H](C)[C@@H]2C(=O)N(C)c3ccccc32)NC1=O ZINC000105567465 HD Annotated Mild investigational COc1cc(O)c2c(c1)C=C1C[C@@]3(O)CC(O)=C(C(C)=O)C(=O)[C@@]3(O)C(O)=C1C2=O ZINC000105576375 HD Annotated Mild in-vitro COc1cc(O)c2c(c1)C=C1C[C@]3(O)CC(O)=C(C(C)=O)C(=O)[C@@]3(O)C(O)=C1C2=O ZINC000105576377 HD Annotated Mild in-vitro COc1cc(O)c2c(c1)C=C1C[C@@]3(O)CC(O)=C(C(C)=O)C(=O)[C@]3(O)C(O)=C1C2=O ZINC000105576380 HD Annotated Mild in-vitro COc1cc(O)c2c(c1)C=C1C[C@]3(O)CC(O)=C(C(C)=O)C(=O)[C@]3(O)C(O)=C1C2=O ZINC000105576383 HD Annotated Mild in-vitro Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1 ZINC000110684161 HD Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1 ZINC000110684164 HD Annotated Anodyne Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1 ZINC000110684168 HD Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1 ZINC000110684172 HD Annotated Anodyne C=c1[nH]n(CCC#N)c(=O)/c1=C\c1cc(OC)c(OC(C)C)cc1Br ZINC000110920461 HD Annotated Mild NC(=O)c1cc(N2CCC(N)CC2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12 ZINC000113198039 HD Annotated Anodyne CN1CCN(c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3n2)CC1 ZINC000113204676 HD Annotated Anodyne Cc1nc(-n2cnn(Cc3ccc(F)cc3)c2=O)sc1C(=O)NCc1cc[nH]n1 ZINC000113369330 HD Annotated Anodyne Cc1nc(-n2cnn(Cc3ccc(F)cc3)c2=O)sc1C(=O)NCc1cocn1 ZINC000113373080 HD Annotated Anodyne Cc1nc(-n2cnn(Cc3ccc(F)cc3)c2=O)sc1C(=O)NCc1ncco1 ZINC000113374763 HD Annotated Anodyne CCC(=O)N1CC[C@H](Oc2ncnc3c2CN(c2cnc(OC)c(C#N)c2)CC3)C1 ZINC000113566734 HD Annotated Mild COc1ccccc1[C@@H](CNS(C)(=O)=O)Nc1ncnc2c(C(N)=O)cccc12 ZINC000114345882 HD Annotated Anodyne COc1ccccc1[C@H](CNS(C)(=O)=O)Nc1ncnc2c(C(N)=O)cccc12 ZINC000114345885 HD Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000114349651 HD Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@@H]2CNC(=O)C2)c1 ZINC000114349652 HD Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000114349654 HD Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@H]2CNC(=O)C2)c1 ZINC000114349656 HD Annotated Anodyne COc1cc(C[C@@]2(O)C(=O)O[C@@H](c3ccc(OC)c(OC)c3)[C@@H]2CO)ccc1O ZINC000114357317 HD Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCCc3cnc[nH]3)cc2s1 ZINC000114397803 HD Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cnn(S(=O)(=O)C4CC4)c3C2)CO[C@@H]1c1cc(F)ccc1F ZINC000114657835 HD Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cnn(S(=O)(=O)C4CC4)c3C2)CO[C@H]1c1cc(F)ccc1F ZINC000114657837 HD Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NCCN3CCN(C)C(=O)C3=O)cc12 ZINC000114713202 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(NCCCO)n[nH]c2-3)C(=O)O1 ZINC000011524586 HD Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(F)F ZINC000011524790 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C(C)=O)c(I)c2)C(=O)O1 ZINC000011524859 HD Annotated Anodyne CC(=O)NC[C@@H]1CN(c2ccc(C(C)=O)c(I)c2)C(=O)O1 ZINC000011524860 HD Annotated Anodyne N[C@H]1C[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1OCSc1ccnc2cc(C(F)(F)F)ccc12 ZINC000011525134 HD Annotated Anodyne N[C@H]1C[C@@H](N)[C@@H](O)[C@H](O)[C@H]1OCSc1ccnc2cc(C(F)(F)F)ccc12 ZINC000011525136 HD Annotated Anodyne CC(=O)C1=C(O)[C@H](N)[C@H]2Cc3c(c(O)c4c(O)c(C)ccc4c3C)C(=O)[C@@]2(O)C1=O ZINC000011616886 HD Annotated Mild CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Cn2nnnc2CN2CCCCCC2)C1 ZINC000011661351 HD Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(C(=O)Cn2nnnc2CN2CCCCCC2)C1 ZINC000011661352 HD Annotated Anodyne CC(C)N(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1 ZINC000011663132 HD Annotated Anodyne CC(C)N(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1 ZINC000011663133 HD Annotated Anodyne CC(C)Cn1c(CN2CCC(N3CCSCC3)CC2)cnc1S(C)(=O)=O ZINC000011663996 HD Annotated Anodyne O=C(C1CCN(C2CCN(Cc3cccc4c3OCO4)CC2)CC1)N1CCOCC1 ZINC000011704902 HD Annotated Anodyne COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 ZINC000011765614 HD Annotated Anodyne COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 ZINC000011765626 HD Annotated Anodyne CCOC(=O)c1n[nH]cc1CN(CC1CCN(CCOC)CC1)C[C@@H]1CCCO1 ZINC000011816600 HD Annotated Anodyne CCOC(=O)c1n[nH]cc1CN(CC1CCN(CCOC)CC1)C[C@H]1CCCO1 ZINC000011816601 HD Annotated Anodyne COC(=O)[C@@H]1CCCCN1Cc1c(C(=O)N2CCCN(C)CC2)nc2sccn12 ZINC000011819285 HD Annotated Anodyne COc1ccccc1O[C@@H]1O[C@@H]2CO[C@@H](c3ccco3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O ZINC000011859891 HD Annotated Anodyne COc1ccccc1O[C@H]1O[C@@H]2CO[C@@H](c3ccco3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O ZINC000011859892 HD Annotated Anodyne COc1ccccc1O[C@@H]1O[C@H]2CO[C@@H](c3ccco3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O ZINC000011859893 HD Annotated Anodyne COc1ccccc1O[C@H]1O[C@H]2CO[C@@H](c3ccco3)O[C@@H]2[C@@H](O)[C@@H]1NC(C)=O ZINC000011859894 HD Annotated Anodyne Cc1ccccc1[C@@]1(CC(=O)N2CCC[C@@H](O)C2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011882176 HD Annotated Anodyne Cc1ccccc1[C@]1(CC(=O)N2CCC[C@@H](O)C2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011882177 HD Annotated Anodyne Cc1ccccc1[C@@]1(CC(=O)N2CCC[C@H](O)C2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011882178 HD Annotated Anodyne Cc1ccccc1[C@]1(CC(=O)N2CCC[C@H](O)C2)CC(=O)N(Cc2cccnc2)C1=O ZINC000011882179 HD Annotated Anodyne COCCCn1c(CN2CCC(N3CCSCC3)CC2)cnc1S(C)(=O)=O ZINC000011934199 HD Annotated Anodyne O=C(Cn1nnnc1CN1CCCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000011937716 HD Annotated Clean Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)nc31)CCNCC2 ZINC000115012403 HD Annotated Anodyne O=C(NC[C@H](O)CO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000115106472 HD Annotated Anodyne O=C(NC[C@@H](O)CO)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000115106476 HD Annotated Anodyne COc1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCC(=O)NC3)n2)cc1OC ZINC000115621911 HD Annotated Anodyne COc1ccc(-c2cc3ncn(C)c(=O)c3c(N[C@H]3CCC(=O)NC3)n2)cc1OC ZINC000115621913 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(CC(=O)N4CCOCC4)cc3)nc(NC3CC3)c2c1=O ZINC000115621915 HD Annotated Anodyne COCCNc1nc(-c2ccc(OC)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115621943 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCNCC4)cc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115621973 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCCC4=O)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115621980 HD Annotated Anodyne CC(C)Nc1nc(-c2ccc(CCN3CCNC(=O)C3)cc2)cc2ncn(C)c(=O)c12 ZINC000115622246 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)cc3)nc(N[C@@H]3CCC(=O)NC3)c2c1=O ZINC000115622279 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)cc3)nc(N[C@H]3CCC(=O)NC3)c2c1=O ZINC000115622281 HD Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC(CO)C4)n3)cc2)CC1 ZINC000115622283 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCNCC4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115622355 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CCNC3)c2c1=O ZINC000115622485 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115622677 HD Annotated Anodyne CC(C)Nc1nc(-c2ccc(NCCN3CCOCC3)nc2)cc2ncn(C)c(=O)c12 ZINC000115624023 HD Annotated Anodyne COC(=O)NCCNc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115624118 HD Annotated Anodyne CNc1ccc(-c2cc3ncn(C)c(=O)c3c(NCCOC)n2)cc1S(C)(=O)=O ZINC000115624182 HD Annotated Anodyne CCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NCCCO)n3)cc2)CC1 ZINC000115624449 HD Annotated Anodyne COC(=O)CCCNc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115624503 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CC[C@@H](O)C3)c2c1=O ZINC000115624542 HD Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2)CC1 ZINC000115624567 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CC[C@@H](CO)C3)c2c1=O ZINC000115624675 HD Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@@H](N)C4)n3)cc2)CC1 ZINC000115624780 HD Annotated Anodyne Cn1cnc2cc(-c3ccc([C@@H]4CCC(=O)N4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115624915 HD Annotated Anodyne Cn1cnc2cc(-c3ccc([C@H]4CCC(=O)N4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115624918 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(CCN4CCNC(=O)C4)cc3)nc(NC3CC3)c2c1=O ZINC000115624941 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N[C@@H]3CCC(=O)NC3)c2c1=O ZINC000115625232 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N[C@H]3CCC(=O)NC3)c2c1=O ZINC000115625234 HD Annotated Anodyne COc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(C)(=O)=O ZINC000115625404 HD Annotated Anodyne CCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NCCOC)n3)cn2)CC1 ZINC000115625458 HD Annotated Anodyne COC(=O)NCCNc1nc(-c2ccc(C(C)(C)O)cc2)cc2ncn(C)c(=O)c12 ZINC000115625463 HD Annotated Anodyne COC(=O)NCCNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12 ZINC000115625570 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CCC(CO)CC3)c2c1=O ZINC000115625622 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OC[C@H]3CCNC3)c2c1=O ZINC000115625648 HD Annotated Anodyne CCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@H](C)CO)n3)cc2)CC1 ZINC000115625658 HD Annotated Anodyne CCNc1nc(-c2ccc(S(=O)(=O)CCN(C)C)cc2)cc2ncn(C)c(=O)c12 ZINC000115625809 HD Annotated Anodyne CNc1ccc(-c2cc3ncn(C)c(=O)c3c(NCCCO)n2)cc1S(C)(=O)=O ZINC000115625859 HD Annotated Anodyne COCCNc1nc(-c2ccc(N)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115625937 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CCC(=O)N3)c2c1=O ZINC000115625943 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CC(CO)C3)c2c1=O ZINC000115625995 HD Annotated Anodyne CCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NCCO)n3)cc2)CC1 ZINC000115626002 HD Annotated Anodyne C[C@@H](CO)Nc1nc(-c2ccc(N3CCN(C)CC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115626035 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCCS(C)(=O)=O)c2c1=O ZINC000115626383 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CC[C@H](O)C3)c2c1=O ZINC000115626419 HD Annotated Anodyne CN1C(=O)C(=O)c2cc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)ccc21 ZINC000115626621 HD Annotated Anodyne O=c1[nH]cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CC[C@H](CO)C3)c12 ZINC000115626691 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CCC[C@@H](CO)C3)c2c1=O ZINC000115626717 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CCC[C@H](CO)C3)c2c1=O ZINC000115626719 HD Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@@H](O)C4)n3)cc2)CC1 ZINC000115626724 HD Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](N)C4)n3)cc2)CC1 ZINC000115626758 HD Annotated Anodyne C[C@H](CO)Nc1nc(-c2ccc(N3CCN(C)CC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115626766 HD Annotated Anodyne CN1CCN(c2ccc3c(c2)nc(Cc2ccc4c(c2)OCO4)n2nc(N)nc32)CC1 ZINC000116236520 HD Annotated Anodyne Nc1nc2c3ccc(C(=O)NCCCO)cc3nc(Cc3ccc4c(c3)OCO4)n2n1 ZINC000116238513 HD Annotated Anodyne COc1cccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1-n1ccnn1 ZINC000116597657 HD Annotated Anodyne COc1cccc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1-n1ccnn1 ZINC000116597660 HD Annotated Anodyne COc1cccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c1-n1ccnn1 ZINC000116597662 HD Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4cc(F)ccc4-c4ncccn4)C[C@H]3C2)cc(=O)[nH]1 ZINC000116822875 HD Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4cc(F)ccc4-c4ncccn4)C[C@@H]3C2)cc(=O)[nH]1 ZINC000116822876 HD Annotated Anodyne Cc1nc(N2C[C@@H]3CN(C(=O)c4cc(F)ccc4-c4ncccn4)C[C@H]3C2)cc(=O)[nH]1 ZINC000116822878 HD Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc(C)nc4-n4ccnn4)C[C@H]3C2)n1 ZINC000116823124 HD Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccc(C)nc4-n4ccnn4)C[C@H]3C2)n1 ZINC000116823125 HD Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc(C)nc4-n4ccnn4)C[C@@H]3C2)n1 ZINC000116823127 HD Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@H]3C2)ncc1F ZINC000116824766 HD Annotated Anodyne Cc1nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@H]3C2)ncc1F ZINC000116824768 HD Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@@H]3C2)ncc1F ZINC000116824770 HD Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccc(C)nc4-n4ccnn4)C[C@@H]32)n1 ZINC000116826531 HD Annotated Anodyne COc1ccc(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c(-n2ccnn2)n1 ZINC000116828686 HD Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@]1(O)CC=C2C1=CC(=O)OC1 ZINC000118938789 HD Annotated Mild CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)N3CCOCC3)c2n1C ZINC000012047652 HD Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O ZINC000012121919 HD Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O ZINC000012121926 HD Annotated Anodyne Cc1nc(N2CCC[C@@H]2C(=O)NC(C)(C)CO)nc2cc(S(C)(=O)=O)ccc12 ZINC000012184546 HD Annotated Anodyne Cc1nc(N2CCC[C@H]2C(=O)NC(C)(C)CO)nc2cc(S(C)(=O)=O)ccc12 ZINC000012184549 HD Annotated Anodyne COc1cccc(CN2CCN(c3nc4nonc4nc3N3CCCCC3)CC2=O)c1 ZINC000012201902 HD Annotated Anodyne CC(C)Cn1c(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cnc1S(C)(=O)=O ZINC000012300536 HD Annotated Anodyne CC(C)Cn1c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cnc1S(C)(=O)=O ZINC000012300538 HD Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000012319105 HD Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000012319106 HD Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000012319108 HD Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000012319110 HD Annotated Anodyne CN(CCn1ccnc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F ZINC000012429650 HD Annotated Anodyne CN(CCn1ccnc1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F ZINC000012429651 HD Annotated Anodyne O=C(NCCN1CCNC1=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012430121 HD Annotated Anodyne O=C(NCCN1CCNC1=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012430122 HD Annotated Anodyne CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCc1ccccn1 ZINC000012431926 HD Annotated Anodyne CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)CCc1ccccn1 ZINC000012431927 HD Annotated Anodyne COc1cccc(CN2C[C@@H](C(=O)NCCc3cn4cccnc4n3)CCC2=O)c1 ZINC000012431951 HD Annotated Anodyne COc1cccc(CN2C[C@H](C(=O)NCCc3cn4cccnc4n3)CCC2=O)c1 ZINC000012431952 HD Annotated Anodyne Cc1cccc2nc(CNC(=O)C[C@H]3C(=O)NCCN3Cc3cccc(F)c3)cn12 ZINC000012433767 HD Annotated Anodyne Cc1cccc2nc(CNC(=O)C[C@@H]3C(=O)NCCN3Cc3cccc(F)c3)cn12 ZINC000012433768 HD Annotated Anodyne COCc1cc(CN(C)C(=O)[C@@H]2CCC(=O)N(Cc3cccc(OC)c3)C2)n[nH]1 ZINC000012438919 HD Annotated Anodyne COCc1cc(CN(C)C(=O)[C@H]2CCC(=O)N(Cc3cccc(OC)c3)C2)n[nH]1 ZINC000012438920 HD Annotated Anodyne Cn1nnnc1SCCNC(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012439746 HD Annotated Anodyne Cn1nnnc1SCCNC(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012439747 HD Annotated Anodyne CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)CCc1cnn(C)c1 ZINC000012440219 HD Annotated Anodyne CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)CCc1cnn(C)c1 ZINC000012440221 HD Annotated Anodyne COCCCn1c(CN2CCC[C@@H](CN3CCCC3=O)C2)cnc1S(C)(=O)=O ZINC000012445204 HD Annotated Anodyne COCCCn1c(CN2CCC[C@H](CN3CCCC3=O)C2)cnc1S(C)(=O)=O ZINC000012445206 HD Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc(OCC)cc2)[C@@H]3C1=O ZINC000012469251 HD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(OCC)cc2)[C@@H]3C1=O ZINC000012469256 HD Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(C)=O ZINC000012469924 HD Annotated Bother CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(C)=O ZINC000012469930 HD Annotated Bother C=CCn1c(=O)/c(=C\c2ccc(O)cc2)s/c1=C(\C#N)c1nnc2n1CCCCC2 ZINC000012470252 HD Annotated Mild C=CCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C(\C#N)c1nnc2n1CCCCC2 ZINC000012470258 HD Annotated Mild CC(=O)NCC(=O)N(CCCN(C)C)CC1CCN(C2Cc3ccccc3C2)CC1 ZINC000012470481 HD Annotated Anodyne Cc1ccc(C(=O)Nc2nnc(CC(=O)NN/C=C3/C=CC(=O)C(O)=C3)s2)cc1 ZINC000012470946 HD Annotated Reactive C=CCN1C(=O)[C@H]2[C@H](C(=O)NC3CCCC3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000012471589 HD Annotated Mild C=CCN1C(=O)[C@H]2[C@H](C(=O)NC3CCCC3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1 ZINC000012471594 HD Annotated Mild COc1ccc(CC(=O)NN/C=C2\C=C([N+](=O)[O-])C=C(Br)C2=O)cc1 ZINC000012475509 HD Annotated Reactive C=C1CCN([C@@H](CC(C)C)C(=O)NN2CCOCC2)S(=O)(=O)c2ccccc21 ZINC000012478877 HD Annotated Mild Cc1ccc(-n2[nH]c(C)c(/C=c3/cc/c(=C4\C=C([N+](=O)[O-])C=CC4=O)o3)c2=O)cc1 ZINC000012480657 HD Annotated Mild CC[C@@H](O)C[C@@H](O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c(O)cccc1C2=O ZINC000012504441 HD Annotated Clean in-vitro CC[C@H](O)C[C@@H](O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c(O)cccc1C2=O ZINC000012504442 HD Annotated Clean in-vivo COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)CCN2CCCO2)C1 ZINC000012582920 HD Annotated Anodyne COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)CCN2CCCO2)C1 ZINC000012582926 HD Annotated Anodyne CC(C)(C)OC(=O)[C@@H]([C@@H]1N[C@@H](C(=O)O)C(C)(C)S1)N1C(=O)c2ccccc2C1=O ZINC000012671249 HD Annotated Anodyne CC(C)(C)OC(=O)[C@@H]([C@H]1N[C@@H](C(=O)O)C(C)(C)S1)N1C(=O)c2ccccc2C1=O ZINC000012671255 HD Annotated Anodyne COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2nccs2)cc1OC ZINC000012709436 HD Annotated Anodyne COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2nccs2)cc1OC ZINC000012709439 HD Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N1C(=O)c3ccccc3NC(=O)[C@@H]21 ZINC000012726616 HD Annotated Anodyne CCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2csc(C)n2)cc1 ZINC000012752359 HD Annotated Anodyne CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2csc(C)n2)cc1 ZINC000012752365 HD Annotated Anodyne O=C(NNC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)c1csc(N2CCOCC2)n1 ZINC000012868397 HD Annotated Reactive CC1(C)OC[C@@H]([C@@H]2O[C@@H](On3nnc4ccc(Cl)cc43)[C@@H]3OC(C)(C)O[C@@H]23)O1 ZINC000013099516 HD Annotated Anodyne CC1(C)OC[C@H]([C@@H]2O[C@@H](On3nnc4ccc(Cl)cc43)[C@@H]3OC(C)(C)O[C@@H]23)O1 ZINC000013099517 HD Annotated Anodyne CC1(C)OC[C@@H]([C@H]2O[C@@H](On3nnc4ccc(Cl)cc43)[C@@H]3OC(C)(C)O[C@@H]23)O1 ZINC000013099518 HD Annotated Anodyne CC1(C)O[C@@H]2[C@@H](O1)[C@H](On1nnc3ccc(Cl)cc31)O[C@@H]2[C@H]1COC(C)(C)O1 ZINC000013099519 HD Annotated Anodyne COCCNC(=O)c1cnn2c(O)cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc12 ZINC000013110813 HD Annotated Anodyne CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N/C(C)=O ZINC000013115620 HD Annotated Bother COC(=O)/C=c1\s/c(=C(C#N)\C(O)=N\Cc2ccco2)n(-c2ccccc2)c1=O ZINC000013115814 HD Annotated Mild O=C(C1CCN(S(=O)(=O)c2c[nH]cn2)CC1)N1CCn2c1nc1ccccc12 ZINC000013118745 HD Annotated Anodyne COC1=C/C(=C/N/N=C2\S[C@@H](CC(=O)O)C(=O)N2c2ccc(O)cc2)C=CC1=O ZINC000013118871 HD Annotated Mild COC1=C/C(=C/N/N=C2\S[C@H](CC(=O)O)C(=O)N2c2ccc(O)cc2)C=CC1=O ZINC000013118873 HD Annotated Mild CCN(CC)S(=O)(=O)c1cccc(C(=O)NN/C=C2/C=CC(=O)C(O)=C2O)c1 ZINC000013120262 HD Annotated Reactive O=C1C=CC(Br)=C/C1=C\NNC(=O)[C@H](c1ccncc1)N1CCOCC1 ZINC000013121659 HD Annotated Reactive O=C1C=CC(Br)=C/C1=C\NNC(=O)[C@@H](c1ccncc1)N1CCOCC1 ZINC000013121660 HD Annotated Reactive O=C(CN1C[C@@H](c2ccccc2)CC1=O)NN/C=C1\C=C(Br)C=CC1=O ZINC000013122231 HD Annotated Reactive O=C(CN1C[C@H](c2ccccc2)CC1=O)NN/C=C1\C=C(Br)C=CC1=O ZINC000013122232 HD Annotated Reactive COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)C(O)(c2ccccc2)c2ccccc2)C1=O ZINC000013122461 HD Annotated Reactive Cn1c(SCC(=O)NN/C=C2\C=C([N+](=O)[O-])C=CC2=O)nnc1-c1ccccc1 ZINC000013122492 HD Annotated Reactive COC1=C/C(=C/NNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C=CC1=O ZINC000013123076 HD Annotated Mild CN(C)S(=O)(=O)c1cccc(NC(=S)NN/C=C2\C=CC(=O)C(O)=C2O)c1 ZINC000013123083 HD Annotated Mild COC1=C/C(=C\NNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)C(=O)C=C1 ZINC000013123380 HD Annotated Mild COC1=C/C(=C/c2c(N3CCOCC3)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)C=CC1=O ZINC000013125124 HD Annotated Mild CCN(CC)C(=O)c1ccc(C2=c3ccccc3=C(N=C3C=CC(=O)C=C3)NN2)cc1 ZINC000013126036 HD Annotated Mild C[C@H]1C[C@@H](C)CN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)C1 ZINC000013131656 HD Annotated Anodyne CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)cc1 ZINC000013131699 HD Annotated Anodyne CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)cc1 ZINC000013131701 HD Annotated Anodyne CN(CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)c1ccccc1 ZINC000013131854 HD Annotated Anodyne CN(CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)c1ccccc1 ZINC000013131856 HD Annotated Anodyne CCSc1nnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)s1 ZINC000013132334 HD Annotated Anodyne CCSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)s1 ZINC000013132335 HD Annotated Anodyne CC1(C)[C@]2(C(=O)NCCCN3CCOCC3)CC[C@@]1(C)C(=O)[C@@H]2Br ZINC000013133136 HD Annotated Reactive C/C(=N\NC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C)c1ccc(OCC(N)=O)cc1 ZINC000013136812 HD Annotated Reactive C/C(=N\NC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C)c1ccc(OCC(N)=O)cc1 ZINC000013136813 HD Annotated Reactive CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1N1CCc2cc([N+](=O)[O-])ccc21 ZINC000013139320 HD Annotated Bother CC(=O)O[C@H]1CO[C@@H](N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000013139321 HD Annotated Bother CC(=O)O[C@H]1CO[C@H](N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000013139323 HD Annotated Bother N#CCCn1cc(/C=N/NC2=NC(=O)[C@@H](CC(=O)O)S2)c(-c2ccc(F)cc2)n1 ZINC000013139772 HD Annotated Mild COc1cccc([C@H]2N[C@](CCSC)(C(=O)O)[C@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O ZINC000013139917 HD Annotated Clean CCN1CCN(S(=O)(=O)C[C@@]2(C)[C@@H]3CC[C@@]2(C)C(=O)[C@@H]3Br)CC1 ZINC000013147138 HD Annotated Reactive CCN1CCN(S(=O)(=O)C[C@]2(C)[C@@H]3CC[C@@]2(C)C(=O)[C@@H]3Br)CC1 ZINC000013147139 HD Annotated Reactive C[C@@H](NC(=O)Nc1nnc(C(F)(F)F)s1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000013147356 HD Annotated Anodyne C[C@H](NC(=O)Nc1nnc(C(F)(F)F)s1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000013147357 HD Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1ccc2cc([N+](=O)[O-])ccc21 ZINC000013152351 HD Annotated Bother CC(=O)O[C@H]1CO[C@@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000013152352 HD Annotated Bother CC(=O)O[C@H]1CO[C@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000013152353 HD Annotated Bother CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(NC(C)=O)cc1 ZINC000013153793 HD Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(NC(C)=O)cc1 ZINC000013153795 HD Annotated Anodyne C=C1NC(=O)[C@@H](CCCc2ccccc2)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C)NC1=O ZINC000013312232 HD Annotated Anodyne CC(C)(O)[C@H](O)COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 ZINC000013323012 HD Annotated Anodyne in-vitro biogenic CC(C)(O)[C@@H](O)COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 ZINC000013323014 HD Annotated Anodyne C[C@H](O)CCC/C=C/[C@H](O)[C@H](O)/C=C/c1c(C[C@H](O)C(C)(C)O)ccc(O)c1C=O ZINC000013334658 HD Annotated Anodyne CC(C)CC(=O)C1=C(O)[C@](O)(C(=O)C[C@H]2OC2(C)C)[C@H](C[C@H](O)C(C)(C)O)C1=O ZINC000013334664 HD Annotated Mild in-man CC(C)CC(=O)C1=C(O)[C@@](O)(C(=O)C[C@H]2OC2(C)C)[C@H](C[C@H](O)C(C)(C)O)C1=O ZINC000013334665 HD Annotated Mild in-man CC(C)CC(=O)C1=C(O)[C@](O)(C(=O)C[C@H]2OC2(C)C)[C@@H](C[C@H](O)C(C)(C)O)C1=O ZINC000013334667 HD Annotated Mild in-man CC(C)CC(=O)C1=C(O)[C@@](O)(C(=O)C[C@H]2OC2(C)C)[C@@H](C[C@H](O)C(C)(C)O)C1=O ZINC000013334668 HD Annotated Mild in-man CCc1ccc(C2=C(C)C(=O)[C@]3(O2)C(=O)N[C@@](OC)(C(=O)c2ccccc2)[C@H]3O)o1 ZINC000013367972 HD Annotated Mild CCc1ccc(C2=C(C)C(=O)[C@@]3(O2)C(=O)N[C@@](OC)(C(=O)c2ccccc2)[C@H]3O)o1 ZINC000013367975 HD Annotated Mild CCc1ccc(C2=C(C)C(=O)[C@]3(O2)C(=O)N[C@@](OC)(C(=O)c2ccccc2)[C@@H]3O)o1 ZINC000013367978 HD Annotated Mild CCc1ccc(C2=C(C)C(=O)[C@@]3(O2)C(=O)N[C@@](OC)(C(=O)c2ccccc2)[C@@H]3O)o1 ZINC000013367981 HD Annotated Mild CN1C(=N)N[C@]23CCCN2C(=O)c2cc(Br)c(Br)n2[C@H]13 ZINC000013379793 HD Annotated Anodyne in-vivo CCCC(=O)C1=C(O)[C@@]2(O)C(=O)c3c(cc4cccc(O)c4c3O)C[C@H]2[C@H](O)C1=O ZINC000013380301 HD Annotated Mild C=C1C[C@H](OC(=O)/C(C)=C/C=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl ZINC000013386719 HD Annotated Reactive COc1ccc2c3c([nH]c2c1)[C@@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O ZINC000013430425 HD Annotated Anodyne in-man COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O ZINC000013430427 HD Annotated Anodyne in-man COc1ccc2c3c([nH]c2c1)[C@@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@@H]3O ZINC000013430428 HD Annotated Anodyne in-man COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@@H]3O ZINC000013430430 HD Annotated Anodyne in-man O=C(O)CCN1CCN(C(=O)N2CCC3(CCN(c4ccncc4)CC3)C2)CC1=O ZINC000013440555 HD Annotated Anodyne O=C(O)CC(=O)N1CCC(C(=O)N2CCC3(CCN(c4ccncc4)CC3)C2)CC1 ZINC000013440556 HD Annotated Anodyne CN(CC(=O)O)C1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440576 HD Annotated Anodyne O=C(O)CCN1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440580 HD Annotated Anodyne O=C(O)CCN1CCCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440582 HD Annotated Anodyne O=C(O)CC(=O)N1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440584 HD Annotated Anodyne O=C(O)CC(=O)N[C@@H]1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)C1 ZINC000013440590 HD Annotated Anodyne O=C(O)CC(=O)N[C@H]1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)C1 ZINC000013440592 HD Annotated Anodyne COC(=O)c1sc2[nH]c([S@@](=O)Cc3cc(OC)ccn3)nc2c1C(=O)OC ZINC000013448920 HD Annotated Anodyne COC(=O)c1sc2[nH]c([S@](=O)Cc3cc(OC)ccn3)nc2c1C(=O)OC ZINC000013448923 HD Annotated Anodyne Cn1c(Br)c(Br)c2c1C(=O)N1CCC[C@]13N=C(N)N[C@H]23 ZINC000013450527 HD Annotated Anodyne O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(S(=O)(=O)NCCO)cc1 ZINC000013470485 HD Annotated Anodyne NC(N)=NS(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccc4ncsc4c32)cc1 ZINC000013470492 HD Annotated Mild CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O1 ZINC000013472643 HD Annotated Anodyne CCCCn1c(=O)c2nn(S(=O)(=O)CCCCl)cc2n(CCCC)c1=O ZINC000013473878 HD Annotated Reactive CCCCn1c(=O)c2cn(S(=O)(=O)CCCCl)nc2n(CCCC)c1=O ZINC000013473883 HD Annotated Reactive CC[C@@H](C)[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(CCC(=O)O)nn1 ZINC000013478029 HD Annotated Anodyne C/C=C\C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)C2(C)CC2)C3)c1 ZINC000013478659 HD Annotated Anodyne C/C=C\C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)C2(C)CC2)C3)c1 ZINC000013478661 HD Annotated Anodyne C=C(C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)C2(C)CC2)C3)c1 ZINC000013478735 HD Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)C2(C)CC2)C3)c1 ZINC000013478737 HD Annotated Mild C/C=C(\C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)CC#N)C3)c1 ZINC000013478816 HD Annotated Mild C/C=C(\C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)CC#N)C3)c1 ZINC000013478818 HD Annotated Mild C/C=C/C=C\C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)CC#N)C3)c1 ZINC000013478873 HD Annotated Mild C/C=C/C=C\C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)CC#N)C3)c1 ZINC000013478875 HD Annotated Mild Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccccc2C#N)c1 ZINC000013489450 HD Annotated Mild COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCCON=C(N)N)c1 ZINC000013489451 HD Annotated Mild C[C@H](C(=O)NO)N1CCNc2cc(Oc3cccc([N+](=O)[O-])c3)ccc2S1(=O)=O ZINC000013518198 HD Annotated Bother C[C@H](C(=O)NO)N1CCNc2cc(Oc3ccc([N+](=O)[O-])cc3)ccc2S1(=O)=O ZINC000013518201 HD Annotated Bother COCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000013520813 HD Annotated Anodyne CCOC(=O)c1nc2c(O)nc3cc([N+](=O)[O-])c(-n4ccc(C(=O)O)c4)cc3n2n1 ZINC000013532624 HD Annotated Bother CCCCNC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C ZINC000013557169 HD Annotated Anodyne C#CCNC(=O)c1[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc2c1CCN(C)C ZINC000013557175 HD Annotated Mild CONC(=O)c1[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc2c1CCN(C)C ZINC000013557203 HD Annotated Anodyne COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCCCCC(=O)N1 ZINC000013559799 HD Annotated Anodyne C[C@H](CC(=O)O)NC(=O)N1CCC2(CC1)CCN(c1ccc(C(=N)N)cc1)C2=O ZINC000013560388 HD Annotated Anodyne C[C@@H](CC(=O)O)NC(=O)N1CCC2(CC1)CCN(c1ccc(C(=N)N)cc1)C2=O ZINC000013560389 HD Annotated Anodyne N=C(N)c1ccc(N2CC3(CCN(C(=O)CCCCC(=O)O)CC3)CC2=O)cc1 ZINC000013560393 HD Annotated Anodyne CN1C(=O)N(c2ccc(C(=N)N)cc2)CC12CCN(C(=O)CCCC(=O)O)CC2 ZINC000013560408 HD Annotated Anodyne N=C(N)c1ccc(N2C(=O)CC3(CCN(C(=O)CCCC(=O)O)CC3)C2=O)cc1 ZINC000013560414 HD Annotated Anodyne C/C(=N\NC(=O)CNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 ZINC000013571799 HD Annotated Reactive C/C(=N\NC(=O)CNC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 ZINC000013571802 HD Annotated Reactive CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(COC(C)=O)=C\[C@H]3OC(=O)[C@@]1(C)[C@@H]23 ZINC000013585393 HD Annotated Mild in-vivo CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(COC(C)=O)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000013585394 HD Annotated Mild biogenic in-vivo O=C(NO)[C@H]1CCCCN1S(=O)(=O)N1CC=C(c2ccc(F)c(F)c2)CC1 ZINC000013587228 HD Annotated Anodyne C/N=C(/NCC[C@H]1CCCC[C@@]1(/C(S)=N\C)c1cccnc1)NS(C)(=O)=O ZINC000013590029 HD Annotated Mild COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)Cc2ccon2)cc1OC ZINC000013594434 HD Annotated Anodyne COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)Cc2ccon2)cc1OC ZINC000013594437 HD Annotated Anodyne Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(Cc2c(C)nn(C)c2C)C2CC2)o1 ZINC000013596431 HD Annotated Anodyne Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(Cc2c(C)nn(C)c2C)C2CC2)o1 ZINC000013596434 HD Annotated Anodyne Cc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)n[nH]1 ZINC000013596993 HD Annotated Anodyne Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)n[nH]1 ZINC000013596996 HD Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2C(=O)C5)CC1 ZINC000013600108 HD Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4n5c3c2N(C)C[C@H]5CS4)CC1 ZINC000013600146 HD Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4n5c3c2N(C)C[C@@H]5CS4)CC1 ZINC000013600148 HD Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4n5c3c2C(=O)C[C@H]5CS4)CC1 ZINC000013600150 HD Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4n5c3c2C(=O)C[C@@H]5CS4)CC1 ZINC000013600152 HD Annotated Anodyne CC(C)OC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C ZINC000013605888 HD Annotated Anodyne COC(=O)c1[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc2c1CCN(C)C ZINC000013605891 HD Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC[C@@H]3NC(=O)N(C)C3=O)cc2c1CCN(C)C ZINC000013605899 HD Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CC[C@H]3NC(=O)N(C)C3=O)cc2c1CCN(C)C ZINC000013605901 HD Annotated Anodyne Cc1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1 ZINC000013607962 HD Annotated Anodyne Cc1cnnn1C[C@H]1CN(c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000013607963 HD Annotated Anodyne O=C1O[C@@H](Cn2cc(F)nn2)CN1c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 ZINC000013607976 HD Annotated Anodyne O=C1O[C@@H](Cn2nncc2F)CN1c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 ZINC000013607979 HD Annotated Anodyne O=C1O[C@@H](Cn2cc(CO)nn2)CN1c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 ZINC000013607988 HD Annotated Anodyne C#Cc1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1 ZINC000013607991 HD Annotated Mild O=Cc1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1 ZINC000013607999 HD Annotated Anodyne COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCc2cccc(C)n2)c(OC)c1 ZINC000013636723 HD Annotated Anodyne COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2cccc(C)n2)c(OC)c1 ZINC000013636726 HD Annotated Anodyne CN(C)S(=O)(=O)c1cccc(N/C(S)=N\N=C\c2ccc(O)c(O)c2O)c1 ZINC000013638213 HD Annotated Mild N=C(N)N1CCc2ccc(OCC3(C(=O)O)CCN(c4ccncn4)CC3)cc2C1 ZINC000013644389 HD Annotated Anodyne O=C1C[C@@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2c1ccc(Br)cc1 ZINC000013651446 HD Annotated Anodyne O=C1C[C@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2c1ccc(Br)cc1 ZINC000013651447 HD Annotated Anodyne C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](Cc2nnc(-c3ccccc3)o2)[C@H](O)[C@@H]1O ZINC000013652257 HD Annotated Anodyne C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](Cc2ncc(-c3ccccc3)o2)[C@H](O)[C@@H]1O ZINC000013652258 HD Annotated Anodyne C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](Cc2cnc(-c3ccccc3)o2)[C@H](O)[C@@H]1O ZINC000013652259 HD Annotated Anodyne CN(C)CCNC(=O)c1ccc(NCCNCCO)c2c(O)c3ccccc3nc12 ZINC000013652289 HD Annotated Bother C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000013657388 HD Annotated Anodyne COCCNC(=O)c1onc(CSc2ccc(F)cc2)c1C(=O)NCCOC ZINC000013660843 HD Annotated Anodyne Cn1cc(C(=O)NOCCO)c(Nc2ccc(Br)cc2F)cc1=O ZINC000013679336 HD Annotated Anodyne NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(CN3CCOCC3)cc2)cs1 ZINC000013727885 HD Annotated Anodyne NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(CNCc3ccccn3)cc2)cs1 ZINC000013727897 HD Annotated Anodyne NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2CNCc2ccccn2)cs1 ZINC000013727923 HD Annotated Anodyne CCN(CC)Cc1cc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)ccc1O ZINC000013727925 HD Annotated Clean CCN(CC)Cc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1O ZINC000013727936 HD Annotated Clean O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1)C(=O)c1ccccc12 ZINC000013737592 HD Annotated Anodyne C[C@H](Sc1nc(S[C@H](C)C(N)=O)nc2c1cnn2-c1ccccc1)C(N)=O ZINC000013759718 HD Annotated Anodyne C[C@H](Sc1nc(S[C@@H](C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759719 HD Annotated Anodyne C[C@@H](Sc1nc(S[C@H](C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759720 HD Annotated Anodyne C[C@H](Sc1nc(S[C@H](C)C(N)=O)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759721 HD Annotated Anodyne O=C(O)C[C@H](NC(=O)CN1CCc2ccc(-c3c[nH]cn3)cc2C1=O)c1cccnc1 ZINC000013760119 HD Annotated Anodyne C[C@H](CC(=O)O)N1CC(=O)N(C)c2ccc(C#Cc3ccc(C(=N)N)cc3)cc2C1=O ZINC000013761181 HD Annotated Mild N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N[C@H](CCc3ccccn3)CC(=O)O)C2)cc1 ZINC000013763252 HD Annotated Anodyne N=C(N)c1ccc(C2=NO[C@H](CC(=O)N[C@H](CCc3ccccn3)CC(=O)O)C2)cc1 ZINC000013763254 HD Annotated Anodyne N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N[C@H](CCc3ccncc3)CC(=O)O)C2)cc1 ZINC000013763261 HD Annotated Anodyne N=C(N)c1ccc(C2=NO[C@H](CC(=O)N[C@H](CCc3ccncc3)CC(=O)O)C2)cc1 ZINC000013763263 HD Annotated Anodyne CCCCOC(=O)N[C@@H](CNC(=O)C[C@@H]1CC(CC2CCNCC2)=NO1)C(=O)O ZINC000013763414 HD Annotated Anodyne CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(CC2CCNCC2)=NO1)C(=O)O ZINC000013763417 HD Annotated Anodyne CN1Cc2cc(C(=O)N3CCN(c4ccncc4)CC3)ccc2N[C@@H](CC(=O)O)C1=O ZINC000013763770 HD Annotated Anodyne N=C(N)c1ccc(-c2csc(NC3CCN([C@@H](CC(=O)O)C(=O)O)CC3)n2)cc1 ZINC000013765815 HD Annotated Anodyne N=C(N)c1ccc(-c2csc(NC3CCN([C@H](CC(=O)O)C(=O)O)CC3)n2)cc1 ZINC000013765817 HD Annotated Anodyne N=C(N)c1ccc2oc(C(=O)NCCC(=O)N[C@@H](CC(=O)O)c3cccnc3)cc2c1 ZINC000013776174 HD Annotated Anodyne N=C(N)c1ccc2oc(C(=O)NCCC(=O)N[C@H](CC(=O)O)c3cccnc3)cc2c1 ZINC000013776177 HD Annotated Anodyne O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccccc1Br)C(=O)c1cccn12 ZINC000013781451 HD Annotated Anodyne O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1cccc(Br)c1)C(=O)c1cccn12 ZINC000013781453 HD Annotated Anodyne N=C(N)N1CCc2ccc(O[C@@H](C(=O)O)c3ccc(O[C@H]4CCNC4)cc3)cc2C1 ZINC000013782213 HD Annotated Anodyne N=C(N)N1CCc2ccc(O[C@H](C(=O)O)c3ccc(O[C@H]4CCNC4)cc3)cc2C1 ZINC000013782214 HD Annotated Anodyne CN(C(=O)c1ccc2c(c1)CN(CCC(=O)O)C(=O)CC2)c1ccc(C(=N)N)cc1 ZINC000013782921 HD Annotated Anodyne COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1 ZINC000013785163 HD Annotated Anodyne COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 ZINC000013785165 HD Annotated Anodyne O=C(O)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-n2nccn2)cc1 ZINC000013797858 HD Annotated Anodyne COc1cc2ccn(CCCC(=O)OCCN3CCOCC3)c(=O)c2cc1OC ZINC000013800908 HD Annotated Anodyne COC(=O)c1ccc(C(=O)N2C[C@H](C)N(C(=O)[C@@](C)(O)C(F)(F)F)C[C@H]2C)cc1 ZINC000013804125 HD Annotated Anodyne COCCN1C=C2C(=O)[C@@](C)(OC(=O)CCC(=O)OC)C(=O)C=C2C=C1C1CC1 ZINC000013817097 HD Annotated Mild COCCN1C=C2C(=O)[C@](C)(OC(=O)CCC(=O)OC)C(=O)C=C2C=C1C1CC1 ZINC000013817101 HD Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(CCCCO)C=C2C1=O ZINC000013817324 HD Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(CCCCO)C=C2C1=O ZINC000013817327 HD Annotated Mild COC(=O)C[C@H]1c2ccccc2[C@H]2C(=C[C@@H](C)[C@H]3C(=O)N(O)C(=O)[C@@H]23)N1C(=O)OC ZINC000013817782 HD Annotated Anodyne CCCCc1cc2c(cn1)=C(OC(=O)CCC(=O)OC)[C@](C)(OC(=O)CC)C(=O)C=2 ZINC000013817831 HD Annotated Anodyne CCCCc1cc2c(cn1)=C(OC(=O)CCC(=O)OC)[C@@](C)(OC(=O)CC)C(=O)C=2 ZINC000013817834 HD Annotated Anodyne CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCOC)cn2)CC1 ZINC000013818454 HD Annotated Anodyne C=C1CCN([C@H](CC(C)C)C(=O)NN2CCOCC2)S(=O)(=O)c2ccccc21 ZINC000013830155 HD Annotated Mild CCN(CC)/[N+]([O-])=N/Oc1cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013831439 HD Annotated Clean CCCC(=O)OC[C@]1(C)[C@@](C)(O)[C@H]2C[C@@]3(CC(=O)O2)[C@H](C)C[C@H](OC(C)=O)[C@@]31O ZINC000013837186 HD Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)C[C@]13C[C@@H](O)[C@](C)(O)[C@@](C)(COC(=O)c1ccccc1)[C@@]23O ZINC000013837192 HD Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)C[C@]13CC(=O)[C@](C)(O)[C@@](C)(COC(=O)c1ccccc1)[C@@]23O ZINC000013837194 HD Annotated Anodyne O=C1C(C2=N[C@@H](C(=O)O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000013865048 HD Annotated Mild O=C1C(C2=N[C@@H](C(=O)O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000013865051 HD Annotated Mild Cc1cccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C[C@H]2C)c1 ZINC000013879205 HD Annotated Anodyne CC(=O)CC[C@H](C(=O)O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000013907356 HD Annotated Clean CN(Cc1nc2ncccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000013907691 HD Annotated Anodyne C/C=C(\C=C(C)\C=C\C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000013910312 HD Annotated Mild C/C=C(\C=C(C)\C=C\C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC ZINC000013910316 HD Annotated Mild O=C(O)C[C@H](NC(=O)[C@@H]1CCCn2c(/C=C/C3CCNCC3)nnc21)c1cccnc1 ZINC000013915419 HD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3[C@@H](OC(C)=O)[C@]2(C)[C@H]1C ZINC000135701205 HD Annotated Anodyne CCN(C(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000135706052 HD Annotated Anodyne CCN(C(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1)[C@H]1CCS(=O)(=O)C1 ZINC000135706084 HD Annotated Anodyne C=C(C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(CO)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000135746408 HD Annotated Mild O=C1c2c(O)c(Cl)cc3c2[C@@]2(Oc4ccc(O)c5c4[C@]3(O2)[C@@H]2O[C@@H]2C5=O)[C@@H]2O[C@H]12 ZINC000135780538 HD Annotated Anodyne CN(C(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000135913477 HD Annotated Anodyne CN(C(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1)[C@H]1CCS(=O)(=O)C1 ZINC000135913517 HD Annotated Anodyne Cc1ccc(-n2[nH]c(C)c(/C=c3\cc/c(=C4/C=C([N+](=O)[O-])C=CC4=O)o3)c2=O)cc1 ZINC000135978520 HD Annotated Mild C=C1C(=O)O[C@H]2C/C(COC(C)=O)=C\C[C@@H]3O[C@]3(COC(=O)C=C(C)C)[C@H](O)C[C@H]12 ZINC000136016039 HD Annotated Mild N#Cc1c(-c2ccco2)c2c(n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1=S)CCCC2 ZINC000136077433 HD Annotated Anodyne CC[C@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(COC(C)=O)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000136110127 HD Annotated Mild biogenic C[C@H]1O[C@@H](O[C@]23C(=Cc4ccc(CC#N)c(Cl)c42)C=C[C@@H]3O)[C@H](O)C(=O)[C@@]1(C)O ZINC000136326643 HD Annotated Mild COC(=O)[C@@]12C[C@H]3C[C@H]([C@@H](C)O)[C@@H]1N(CC[C@]1(O)C2=Nc2ccc(OC)cc21)C3 ZINC000136539910 HD Annotated Anodyne CC(=O)C1=C(O)[C@]2(O)C(=O)c3c(c(C)c4ccc(C)c(O)c4c3O)C[C@H]2[C@@H](N)C1=O ZINC000136615655 HD Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@@H](O)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000136777242 HD Annotated Mild C=C[C@@](C)(O)C[C@@H](/C=C(\C)CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000136808966 HD Annotated Mild CC(=O)O[C@H]1[C@@H](O)[C@@H]2[C@@]3(C)C(=O)[C@@H](O)C[C@@H](C)[C@@H]3C[C@H]3OC(=O)C[C@@H]([C@H]1C)[C@@]23C ZINC000136918242 HD Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3cccc(Br)c3)c(=O)c12 ZINC000137077767 HD Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3cc(Br)ccc3F)c(=O)c12 ZINC000137078891 HD Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3ccccc3Br)c(=O)c12 ZINC000137079263 HD Annotated Anodyne C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137289580 HD Annotated Mild C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137291176 HD Annotated Mild CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137291666 HD Annotated Reactive COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CC[C@]1(O)C2=Nc2ccc(OC)cc21)C3 ZINC000137434105 HD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000137702314 HD Annotated Mild C=C(C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12)[C@@H](C)O ZINC000137763569 HD Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC(CO)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000137763757 HD Annotated Mild C[C@@H]1CC[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3O)[C@](C)(O)[C@@]2(C)COC(=O)c1ccccc1 ZINC000137835424 HD Annotated Anodyne N=C1ON=C(N)[C@@H]1[C@@H](CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000137905944 HD Annotated Anodyne N=C1ON=C(N)[C@@H]1[C@H](CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000137906051 HD Annotated Anodyne O=c1c2cc[nH][nH]c2c(=O)c2c(=O)n(Cc3cccc(Br)c3)c(=O)c12 ZINC000137965220 HD Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2COC(=O)[C@](C)(O)[C@H](C)C/C(C)=C\C(=O)O[C@@H]3CCN1[C@H]23 ZINC000138084421 HD Annotated Anodyne COc1c2c(cc3c1OCO3)[C@@]13CCN(C2)[C@@H]1CC[C@H](OC(C)=O)[C@H]3OC(C)=O ZINC000138282243 HD Annotated Anodyne CC(=O)OC/C=C(/CO)C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000138511071 HD Annotated Anodyne CC(C)[C@H]1CNC(=O)[C@]2(/C=N\[C@H](C(C)C)CNC(=O)[C@]3(/C=N\1)CCCO3)CCCO2 ZINC000138554560 HD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2C(COC(C)=O)=C[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000138556663 HD Annotated Mild CC[C@@H](O)[C@H]1CCC[C@H]2[C@H]3[C@H](C)C(=O)[C@]4(OC(=O)C(C)=C4OC)[C@]3(O)CCCN21 ZINC000138576122 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)O[C@@](C)(C[C@H](OC(=O)C(C)C)[C@@H]12)C[C@@H]3OC(C)=O ZINC000138733491 HD Annotated Mild COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1NCCc1c2n(c2cc(OC)ccc12)[C@H]3O ZINC000138849909 HD Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=C[C@@H](O)[C@H](O)[C@@H]3[C@@](C)(C[C@@H](O)c2ccoc2)[C@H]1C ZINC000139033281 HD Annotated Anodyne COc1ccc2c(c1)n(O)c(C#N)c(N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[n+]2=O ZINC000139101803 HD Annotated Mild CC(=O)O[C@@H]1[C@H]2/C(=C\O[C@H]3C=C(C)C(=O)O3)C(=O)O[C@H]2[C@]23O[C@]12CCCC3(C)C ZINC000139106742 HD Annotated Anodyne CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)c3ccc(CNC4CC4)cc3)[C@@H]21 ZINC000139177011 HD Annotated Anodyne CS(=O)(=O)N[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000139345278 HD Annotated Anodyne CS(=O)(=O)N[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000139345392 HD Annotated Anodyne Cc1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@H]2O)ccc2c1O/C(=C/c1ccc(O)cc1)C2=O ZINC000139371254 HD Annotated Mild Cc1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)ccc2c1O/C(=C/c1ccc(O)cc1)C2=O ZINC000139371380 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(COC(C)=O)CC/C=C(\C)[C@@H](O)C/C=C(\C)[C@H]2O ZINC000139467874 HD Annotated Mild CCC(=O)[C@@H](C[C@@H]1N(C=O)CC[C@@]12C(=O)Nc1ccccc12)/C(=C\OC)C(=O)OC ZINC000014416632 HD Annotated Anodyne CCC(=O)[C@H](C[C@@H]1N(C=O)CC[C@@]12C(=O)Nc1ccccc12)/C(=C\OC)C(=O)OC ZINC000014416634 HD Annotated Anodyne in-vitro biogenic CCC(=O)[C@@H](C[C@H]1N(C=O)CC[C@@]12C(=O)Nc1ccccc12)/C(=C\OC)C(=O)OC ZINC000014416635 HD Annotated Anodyne CCC(=O)[C@H](C[C@H]1N(C=O)CC[C@@]12C(=O)Nc1ccccc12)/C(=C\OC)C(=O)OC ZINC000014416637 HD Annotated Anodyne in-vitro biogenic CN1CCN(Cc2ccc(C(=O)NN3C(=O)[C@H]4[C@H]5C=C[C@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)CC1 ZINC000140138624 HD Annotated Anodyne COCC(=O)N[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000140196519 HD Annotated Anodyne COCC(=O)N[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000140196689 HD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)[C@H](C)CC)[C@@H](OC(C)=O)C1=CO[C@@]3(CO)CC[C@@H]1[C@@H]23 ZINC000140244768 HD Annotated Anodyne biogenic C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)[C@@H](C)CC)[C@@H](OC(C)=O)C1=CO[C@@]3(CO)CC[C@@H]1[C@@H]23 ZINC000140244924 HD Annotated Anodyne biogenic C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)[C@@H](OC(C)=O)C1=CO[C@@]3(CO)CC[C@@H]1[C@@H]23 ZINC000140245077 HD Annotated Anodyne biogenic Cc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31 ZINC000140283658 HD Annotated Anodyne COCCN1CCN(Cc2ccc(-c3cc(NC(N)=O)c(C(N)=O)s3)cc2)CC1 ZINC000140311234 HD Annotated Anodyne C=C(C)[C@H]1C/C=C(/C(=O)OC)[C@H](O)C(=O)C[C@](C)(O)Cc2cc(C(=O)OC)c(o2)C1 ZINC000140556507 HD Annotated Mild C#C/C=C\C[C@H]1O[C@H]([C@H](CC)OC(C)=O)C[C@@H](O)[C@H](OC(C)=O)C[C@H]1OC(C)=O ZINC000140617176 HD Annotated Mild C/C=C\C=C\C=C\C(=O)N[C@H]1CCCNC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C1=O ZINC000141036364 HD Annotated Anodyne CC(=O)O[C@H]1C[C@H]2O[C@]23C[C@@]2(O)OC(=O)C(C)=C2[C@@H](OC(=O)C(C)C)[C@]3(C)[C@H]1C ZINC000141274800 HD Annotated Anodyne CC(=O)N1c2ccccc2[C@]23C[C@H]4NC(=O)[C@@H](Cc5ccc(c2c5)O[C@H]13)N(C)C4=O ZINC000141877960 HD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 ZINC000141893617 HD Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)CN1CCOCC1)C2 ZINC000141979826 HD Annotated Anodyne Cc1noc2c(Cl)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31 ZINC000142010147 HD Annotated Anodyne Cc1ncc(C#Cc2c(C)ncnc2N2CCOCC2)cc1NS(=O)(=O)C(C)C ZINC000142166460 HD Annotated Mild Cc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@@H](C)O[C@@H](C)CN31 ZINC000142223227 HD Annotated Anodyne Cc1noc2c(Cl)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@@H](C)O[C@@H](C)CN31 ZINC000142493229 HD Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)NCCO)[C@H](C)[C@@H]3C(=O)[C@H](O)[C@@H]12 ZINC000142661341 HD Annotated Anodyne CS(=O)(=O)n1cc2c(n1)CN([C@H]1CCO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000142736884 HD Annotated Anodyne CS(=O)(=O)CCC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 ZINC000142774491 HD Annotated Anodyne Cc1noc2c(Cl)c3c(nc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31 ZINC000142842888 HD Annotated Anodyne CN(Cc1cccc(-c2cnc(N3CCC(N4CCOCC4)CC3)nc2)c1)C(=O)CN ZINC000142852974 HD Annotated Anodyne CCC[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142885347 HD Annotated Anodyne CCC[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142885558 HD Annotated Anodyne CCC[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142885744 HD Annotated Anodyne CCC[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142885978 HD Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#CCOCCF)ccc1-2 ZINC000142891556 HD Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#CCn3ccnc3)ccc1-2 ZINC000142894328 HD Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#CCn3ccnc3)ccc1-2 ZINC000142894518 HD Annotated Anodyne CCOCCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142959223 HD Annotated Anodyne C[C@@H](O)CCCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142972417 HD Annotated Anodyne C[C@H](O)CCCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142972564 HD Annotated Anodyne CC(C)[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143011497 HD Annotated Anodyne CC(C)[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143011697 HD Annotated Anodyne CC(C)[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000143011944 HD Annotated Anodyne CC(C)[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000143012167 HD Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#Cc3ncccn3)ccc1-2 ZINC000143019275 HD Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#Cc3ncccn3)ccc1-2 ZINC000143019474 HD Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(COC3COC3)ccc1-2 ZINC000143067888 HD Annotated Anodyne CC[C@@H](O)CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143072345 HD Annotated Anodyne CC[C@H](O)CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143072543 HD Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OCC3COC3)ccc1-2 ZINC000143073559 HD Annotated Anodyne CC(C)(O)CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143079418 HD Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OCc3ncco3)ccc1-2 ZINC000143085741 HD Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(OCc3ncco3)ccc1-2 ZINC000143085935 HD Annotated Anodyne Cn1cncc1C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143115929 HD Annotated Anodyne Cn1cncc1C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000143116120 HD Annotated Anodyne Cc1cc(C(N)=S)cnc1C(=O)Nc1cc([C@@]2(CF)COCC(N)=N2)ccn1 ZINC000143168649 HD Annotated Anodyne Cc1cc(C(N)=S)cnc1C(=O)Nc1cc([C@]2(CF)COCC(N)=N2)ccn1 ZINC000143168820 HD Annotated Anodyne CCOC(=O)[C@H]1C[C@H](S(=O)(=O)c2ccccc2Cl)CN1c1cncc(C#N)n1 ZINC000143210107 HD Annotated Mild COC(=O)[C@]12CC[C@]34C=CCN5C[C@H](C(=O)C3)[C@@]1(c1ccc(OC)c(OC)c1N2)[C@@H]54 ZINC000143227481 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2C(C)(C)C=C[C@@H](O)[C@@]2(C)[C@@H]2C[C@H]3OC(=O)C(C)=C3[C@H](O)[C@]12O ZINC000143285173 HD Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(C2COC2)C3=O)C[C@H]1C ZINC000143440933 HD Annotated Anodyne CCCCCC[C@@H]1O[C@]23CC[C@H](O)[C@@]4(O)OC5=C(C(=O)[C@H](O)CC5)[C@H](C[C@@H]1O2)[C@@H]43 ZINC000143506294 HD Annotated Mild O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(N4CC[C@@H](O)C4)s3)nc12 ZINC000143704354 HD Annotated Anodyne CCCS(=O)(=O)Nc1cc(C#Cc2c(C)ncnc2N2CCOCC2)cnc1C ZINC000143843263 HD Annotated Mild C[C@H]1CN(c2nc(N3CCOCC3)c3nc(-c4ccccc4CO)[nH]c3n2)C[C@@H](C)O1 ZINC000143917367 HD Annotated Anodyne C=C[C@]1(COC(C)=O)C[C@H](OC(=O)C(=C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O ZINC000144063131 HD Annotated Reactive Cc1nc(C(=O)N2CCOCC2)c(C(=O)NCCc2nc3ccccc3n2C)n1C ZINC000144075959 HD Annotated Anodyne COc1ccccc1-c1cn(C)c(CCNC(=O)c2c(C(=O)N3CCC3)cnn2C)n1 ZINC000144084638 HD Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc2cc(Cl)ccc2n1C ZINC000144090192 HD Annotated Anodyne Cn1c(Cl)nc(C(=O)N2CCC2)c1C(=O)NCCc1nc2ccccc2n1C ZINC000144094711 HD Annotated Anodyne Cc1nc(C(=O)N2CCC2)c(C(=O)NCCc2nc(-c3ccccc3)cn2C)n1C ZINC000144114104 HD Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc(-c2ccccc2)nn1C1CC1 ZINC000144116374 HD Annotated Anodyne FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4n[nH]c5ncccc45)c3n2)cn1 ZINC000144180569 HD Annotated Anodyne COC[C@H]1C(=O)[C@@]23[C@@H](CC(=O)[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3O ZINC000144208920 HD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@]2(O)[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000144518469 HD Annotated Mild O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(N4CC[C@H](O)C4)s3)nc12 ZINC000144609497 HD Annotated Anodyne CC(C)Nc1nc(-c2cccc(S(=O)(=O)NCCO)c2)cc2ncn(C)c(=O)c12 ZINC000144797744 HD Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3cc(N4CCNCC4)cs3)nc12 ZINC000144814071 HD Annotated Anodyne O=C(COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N(CCO)CCO ZINC000144836244 HD Annotated Anodyne O=C(COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N(CCO)CCO ZINC000144836460 HD Annotated Anodyne CC[C@H]1CN(CC[C@@]2(O)C(=O)Nc3ccccc32)C(=O)C[C@@H]1/C(=C/OC)C(=O)OC ZINC000014501638 HD Annotated Anodyne CC(=O)O[C@@H]1[C@H](Oc2ccc(CC#N)cc2)O[C@@H](C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000014502920 HD Annotated Mild in-man CC(=O)O[C@@H]1[C@H](Oc2ccc(CC#N)cc2)O[C@H](C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000014502923 HD Annotated Mild in-man CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C)O[C@@H]1Oc1ccc(CC#N)cc1 ZINC000014502926 HD Annotated Mild in-man CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O[C@@H]1Oc1ccc(CC#N)cc1 ZINC000014502929 HD Annotated Mild in-man COc1cc2c(cc1OC)[C@]13CCN(C)CC4=CCO[C@@H]5CC(=O)N2[C@@H]1[C@@H]5[C@@H]4CC3=O ZINC000014515047 HD Annotated Anodyne in-vitro biogenic COc1cc(CCCO)ccc1O[C@H](CO)C(=O)c1cc(OC)c(O)c(OC)c1 ZINC000014515110 HD Annotated Anodyne COc1cc(CCCO)ccc1O[C@@H](CO)C(=O)c1cc(OC)c(O)c(OC)c1 ZINC000014515113 HD Annotated Anodyne in-vitro biogenic COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5c4ccc(O)c5OC)[C@@H]3C[C@H]12 ZINC000014585363 HD Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@]4(C(=O)Nc5c4ccc(O)c5OC)[C@@H]3C[C@H]12 ZINC000014585367 HD Annotated Anodyne O=C1NC(=O)/C(=C/CCNC(=O)c2cc(Br)c(Br)[nH]2)N1 ZINC000014610476 HD Annotated Anodyne COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3COC4=C(C(=O)OC4)[C@@H]3C[C@@H]3N(C)CC[C@@]231 ZINC000014611874 HD Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](C)CCCC(=O)CCCCCCC(=O)CCN(O)C(=O)[C@@H](N)CO ZINC000014612890 HD Annotated Anodyne CC(C)(O)CCCCC(=O)CCCCCCC(=O)CCN(O)C(=O)[C@@H](N)CO ZINC000014612893 HD Annotated Anodyne COC(=O)[C@H](CCC(C)=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000014635845 HD Annotated Clean COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@H]6[C@@H]5C[C@@]43O ZINC000014682129 HD Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@@H]5C[C@@]43O ZINC000014682131 HD Annotated Anodyne COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@@]1(C)O)C(=O)c1c(O)ccc(O)c1C3=O ZINC000014684524 HD Annotated Clean in-vitro COC(=O)[C@H]1c2cc3c(c(O)c2[C@@H](O)C[C@@]1(C)O)C(=O)c1c(O)ccc(O)c1C3=O ZINC000014684525 HD Annotated Clean CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000014686645 HD Annotated Clean COc1cc(C(=O)c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2ccc(O)c(OC)c2)ccc1O ZINC000014687352 HD Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=CC[C@@H]2[C@@H]3[C@@](C)(CC(=O)[C@]23C(=O)O[C@H]2O[C@H]23)[C@@H]1C ZINC000014690124 HD Annotated Anodyne COc1c(O)c2c3c(c(O)c(O)c(C)c3c1O)C(=O)[C@](O)(C(C)(C)C(C)=O)C2=O ZINC000014693259 HD Annotated Clean Cc1cc(O)cc(O)c1C(=O)O[C@@H]1CC2=C(COC(/C=C/CO)=C2)C(=O)[C@]1(C)O ZINC000014723049 HD Annotated Mild C[C@@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@@H](OC=O)CC[C@]21C ZINC000014725044 HD Annotated Clean C[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@@H](OC=O)CC[C@]21C ZINC000014725046 HD Annotated Clean C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1C=O ZINC000014763659 HD Annotated Mild in-vitro biogenic CN1C(=O)[C@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)NC(=O)[C@]1(O)Cc1cccc(O)c1 ZINC000014765757 HD Annotated Bother CN1C(=O)[C@](O)(Cc2cccc(O)c2)NC(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000014765759 HD Annotated Bother CN1C(=O)[C@](O)(Cc2ccccc2)N(C)C(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000014765775 HD Annotated Bother in-vitro CN1C(=O)[C@](O)(Cc2ccccc2)NC(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000014765783 HD Annotated Bother CC(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@]3(C)C[C@](O)(c4ccoc4)O[C@@]31CCC(=O)[C@]21CO1 ZINC000014773510 HD Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@@H]2/C=C(\COC(=O)[C@H](C)CC)C[C@H](OC(C)=O)/C=C(\CO)C(=O)C[C@@H]12 ZINC000014816459 HD Annotated Anodyne biogenic C=C1C(=O)O[C@@H]2/C=C(\COC(=O)[C@@H](C)CC)C[C@H](OC(C)=O)/C=C(\CO)C(=O)C[C@@H]12 ZINC000014816460 HD Annotated Anodyne biogenic C=C(C)C(=O)O[C@H]1CC(CO)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000014816818 HD Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CC[C@](C)(CO)[C@H]1CO ZINC000014817338 HD Annotated Mild in-vitro biogenic CCCc1cc2c(c(O)c1C(=O)O)C(=O)c1c(O)cc(OS(=O)(=O)O)cc1C2=O ZINC000014819827 HD Annotated Clean C[C@H]1C(=O)N2c3ccccc3[C@@]3(C[C@@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@@H]2N1O ZINC000014824149 HD Annotated Anodyne CC(C)C(=O)O[C@@H]1c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@H](O)[C@@H]2O[C@@]21C ZINC000014851615 HD Annotated Clean COC(=O)[C@@H]1c2c(O)c3c(c(O)c2[C@@H](O)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O ZINC000014858147 HD Annotated Clean Cc1nc2ccc(S(=O)(=O)O)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O ZINC000014947209 HD Annotated Anodyne CN(C)C(=O)[C@@H](c1ccc(-c2ccc3ncnn3c2)cc1)[C@H](N)C(=O)N1CC(F)C1 ZINC000014947673 HD Annotated Anodyne O=C(CCn1nnnc1CN1CCOCC1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000014951677 HD Annotated Anodyne O=C(CCn1nnnc1CN1CCOCC1)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000014951682 HD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@@H]3O ZINC000014952334 HD Annotated Anodyne in-man COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@H]3O ZINC000014952338 HD Annotated Anodyne in-man CN(C)CCNS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=N)NC3=O)o2)cc1 ZINC000014963231 HD Annotated Anodyne N=C1NC(=O)/C(=C/c2ccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)o2)S1 ZINC000014963234 HD Annotated Anodyne C[C@H]1CCC[C@@H](O)[C@]2(O)C(=O)C=C[C@@H]3OC(/C=C/C=C/C=C/C(=O)O)=C(C(=O)O1)[C@@H]32 ZINC000014966892 HD Annotated Mild CCCCCC[C@@H](O)C(=O)O[C@@H]1[C@@H]2[C@@H](CC1(C)C)[C@@H](O)[C@@]13O[C@@H]1[C@@H](O)[C@@]1(CO1)[C@@]23C ZINC000014970421 HD Annotated Anodyne CCCCCC[C@H](O)C(=O)O[C@@H]1[C@@H]2[C@@H](CC1(C)C)[C@@H](O)[C@@]13O[C@@H]1[C@@H](O)[C@@]1(CO1)[C@@]23C ZINC000014970424 HD Annotated Anodyne CCCCCC[C@@H](O)C(=O)O[C@H]1[C@@H]2[C@@H](CC1(C)C)[C@@H](O)[C@@]13O[C@@H]1[C@@H](O)[C@@]1(CO1)[C@@]23C ZINC000014970427 HD Annotated Anodyne CCCCCC[C@H](O)C(=O)O[C@H]1[C@@H]2[C@@H](CC1(C)C)[C@@H](O)[C@@]13O[C@@H]1[C@@H](O)[C@@]1(CO1)[C@@]23C ZINC000014970431 HD Annotated Anodyne Cc1nc(CN2C(=O)C[C@@]3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)cs1 ZINC000014976724 HD Annotated Anodyne Cc1nc(CN2C(=O)C[C@]3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)cs1 ZINC000014976727 HD Annotated Anodyne Cc1n[nH]c(C)c1CCN(C)C(=O)Cn1nnnc1CN1CCc2ccccc2C1 ZINC000014979327 HD Annotated Anodyne N[C@@H]1CCN(c2ccc(-c3nc4c(C(=O)N[C@H]5CCCNC5)ccnc4[nH]3)s2)C1 ZINC000145072379 HD Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3cc(N4CC[C@@H](O)C4)cs3)nc12 ZINC000145098136 HD Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3cc(N4CC[C@H](O)C4)cs3)nc12 ZINC000145098350 HD Annotated Anodyne Cc1cnc(-c2ccnc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)c2)c(C)c1 ZINC000145100345 HD Annotated Anodyne CN(CCO)c1ccc(-c2nc3c(C(=O)N[C@H]4CCCNC4)ccnc3[nH]2)s1 ZINC000145145778 HD Annotated Anodyne CC[C@H]1CN(CC[C@@]2(O)C(=O)Nc3ccccc32)C(=O)C[C@@H]1/C(=C\OC)C(=O)OC ZINC000145242362 HD Annotated Anodyne CC[C@H]1CN(CC[C@]2(O)C(=O)Nc3ccccc32)C(=O)C[C@@H]1/C(=C\OC)C(=O)OC ZINC000145242562 HD Annotated Anodyne COC(=O)/C(=C1/OC(=O)c2c1oc(=O)c1cc(O)c(O)cc21)c1ccc(O)c(O)c1 ZINC000145246395 HD Annotated Clean O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3ccc(N4CCNCC4)s3)[nH]c12 ZINC000145344231 HD Annotated Anodyne C=C1C(=O)O[C@H]2C/C(COC(C)=O)=C\C[C@@H]3O[C@]3(COC(=O)CC(C)C)[C@H](O)C[C@H]12 ZINC000145710404 HD Annotated Mild C=C(C)C(=O)O[C@@H]1C[C@@](C)(O)C[C@H](OC(C)=O)/C=C(C)/C=C2/OC(=O)C(CO)=C21 ZINC000146438626 HD Annotated Mild C=C(C)C(=O)O[C@@H]1C[C@@](C)(O)[C@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000146458768 HD Annotated Mild Cn1c(OC2CCN(c3ccc4c(c3)CNC4)CC2)nc(-c2ccncn2)cc1=O ZINC000146518789 HD Annotated Clean CN1CCC(CCN2CCC(Oc3nc(-c4ccncn4)cc(=O)n3C)CC2)CC1 ZINC000146541007 HD Annotated Anodyne CCCCCCCC(=O)O[C@H]1[C@@H](F)[C@H](n2ccc(N)nc2=O)O[C@@]1(CO)CCl ZINC000147005728 HD Annotated Mild COc1c2n(c3ccccc13)[C@]1(O)C(=O)N(C)C(=O)[C@]1(O)c1c-2[nH]c2ccccc12 ZINC000147242761 HD Annotated Anodyne CC(=O)OC/C=C(/CO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000147266042 HD Annotated Anodyne N#CCCOc1ccc([C@@H](O)[C@@H](CO)NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 ZINC000147384869 HD Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@@H](O)CO3)cc2)c1C#Cc1ccc(N)nc1 ZINC000148277278 HD Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3C[C@H](O)CO3)cc2)c1C#Cc1ccc(N)nc1 ZINC000148277462 HD Annotated Mild CNC(=O)c1nn(C)cc1NC(=O)c1nc([C@@H]2CCCO2)cnc1Nc1cncnc1 ZINC000148379112 HD Annotated Anodyne CNC(=O)c1nn(C)cc1NC(=O)c1nc([C@H]2CCCO2)cnc1Nc1cncnc1 ZINC000148379262 HD Annotated Anodyne C[C@H]1C(=N)/C(=N/Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)[C@H](C)C1=O ZINC000148390547 HD Annotated Mild C[C@@H]1C(=N)/C(=N/Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)[C@H](C)C1=O ZINC000148390774 HD Annotated Mild CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O ZINC000148561776 HD Annotated Anodyne CNC(=O)c1nn(C)cc1NC(=O)c1nc(CC(C)C)cnc1Nc1cncnc1 ZINC000148617767 HD Annotated Anodyne Cc1nnn(-c2ccc(F)cc2)c1COc1cc(C(=O)NC2(C)COC2)n(C)n1 ZINC000148809797 HD Annotated Anodyne CCc1ncnc(N2CCN(C(=O)c3ccco3)CC2)c1C#Cc1ccc(N)nc1 ZINC000148836410 HD Annotated Mild Cc1ncnc(-c2ccc(C(=O)N3C[C@@H](O)CO3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148874790 HD Annotated Mild Cc1ncnc(-c2ccc(C(=O)N3C[C@H](O)CO3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148874989 HD Annotated Mild CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC2CC2)c1=O ZINC000149129192 HD Annotated Anodyne CCc1ncnc(N2CCC3(CC2)CC(=O)NC(=O)C3)c1C#Cc1ccc(N)nc1 ZINC000149211469 HD Annotated Mild COc1ccc2nc(COc3ccc(C[C@@H](C(N)=O)S(C)(=O)=O)cc3)n(C)c2c1 ZINC000149223093 HD Annotated Anodyne COc1ccc2nc(COc3ccc(C[C@H](C(N)=O)S(C)(=O)=O)cc3)n(C)c2c1 ZINC000149223308 HD Annotated Anodyne CCc1ncnc(N2CCN(C(=O)c3ccccn3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149248808 HD Annotated Mild Cc1ncnc(N2CCC(CC(=O)N3CCOCC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149258440 HD Annotated Mild CCc1ncnc(N2CCN(C3CCN(C)CC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149269076 HD Annotated Mild Cn1cc(-c2ccc3nc(Cc4nnc(CC(=O)NC5(C#N)CC5)o4)sc3n2)cn1 ZINC000149926473 HD Annotated Mild O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2N1CCN(CCCSc2ccccc2)CC1 ZINC000001534535 HD Annotated Anodyne CN1C(=O)CN(CCC(=O)O)C(=O)c2cc(C#Cc3ccc(C(=N)N)cc3)ccc21 ZINC000001541370 HD Annotated Mild Cn1c(CBr)nc2c1C(=O)c1nc(CBr)[nH]c(=O)c1C2=O ZINC000001616715 HD Annotated Reactive CCOC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@@]2(O)CCC[C@@]12C(=O)OCC ZINC000001625358 HD Annotated Anodyne Cc1ccc(S(=O)(=O)C2=c3ncccc3=C3C(=O)c4ccccc4C(=O)[C@@H]32)cc1 ZINC000001634464 HD Annotated Clean CSC(=S)N(C)NC(=O)c1cccc(C(=O)NN(C)C(=S)SC)n1 ZINC000001634529 HD Annotated Reactive CCSc1[nH]c(/N=C(\NC(=O)c2ccccc2)NC(C)C)c(C(N)=O)c1C(N)=O ZINC000001638060 HD Annotated Mild N#Cc1nsnc1-c1nc(-c2nsnc2C#N)nc(-c2nsnc2C#N)n1 ZINC000001647598 HD Annotated Mild CCCCNC(=S)Nc1nc(C(=O)NNS(=O)(=O)c2ccccc2)cs1 ZINC000001647809 HD Annotated Reactive COc1ccc(/C=N/NS(=O)(=O)c2ccc(/C=C3\NC(=O)N(C)C3=O)cc2)cc1 ZINC000001649588 HD Annotated Mild N#Cc1nc(CC[C@@H](c2nc(C#N)c(N)o2)N2C(=O)c3ccccc3C2=O)oc1N ZINC000001649976 HD Annotated Mild COc1ccc(/C=C2\N=C(c3ccccc3)N(NC3=NC(=O)CC(=O)N3)C2=O)cc1 ZINC000001651119 HD Annotated Anodyne CCN1C(=O)CS/C1=N\NC(=O)CSc1nc2ccccc2c(=O)n1CC ZINC000001652783 HD Annotated Reactive C=CCN1C(=O)CS/C1=N\NC(=O)CSc1nc2ccccc2c(=O)n1CC ZINC000001652784 HD Annotated Reactive CN(C)C(=S)N/N=C(C(=N/NC(=S)N(C)C)\c1ccccn1)/c1ccccn1 ZINC000001653431 HD Annotated Mild COc1c(-c2nc3ccc(N4CCN(C)CC4)nc3[nH]2)cc(OC)c2[nH]c(CO)nc12 ZINC000001658433 HD Annotated Anodyne O=C(N/N=C/C=C/c1ccccc1)[C@H](O)[C@@H](O)C(=O)N/N=C/C=C/c1ccccc1 ZINC000001688747 HD Annotated Reactive COc1cccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN(C)C)c1OC ZINC000001782757 HD Annotated Anodyne COc1cccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN(C)C)c1OC ZINC000001782761 HD Annotated Anodyne Cc1nc2c(C)cccn2c1C(=O)[C@H]1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccncc1 ZINC000001814204 HD Annotated Anodyne Cc1nc2c(C)cccn2c1C(=O)[C@@H]1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccncc1 ZINC000001814205 HD Annotated Anodyne Cc1nc2c(C)cccn2c1C(=O)[C@H]1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccncc1 ZINC000001814206 HD Annotated Anodyne O=C1CSc2nnc(CCCCCCCCc3nnc4n3NC(=O)CS4)n2N1 ZINC000001862005 HD Annotated Anodyne CC(=O)O[C@@]12O[C@@](C)([C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]31)N(c1ccccc1)C2=O ZINC000001863586 HD Annotated Anodyne N=C(N)c1ccc(-c2csc(N(CC(=O)O)C3CCN(CC(=O)O)CC3)n2)cc1 ZINC000001891948 HD Annotated Anodyne O=C1C(Cl)=C(Cl)C(=O)N1CCOCCN1C(=O)C(Cl)=C(Cl)C1=O ZINC000001956341 HD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@](C)(COC(C)=O)[C@H]1C=O)COC3=O ZINC000015053495 HD Annotated Mild in-vitro biogenic COc1cccc(N2CCN([C@H]3CN(C(=O)Nc4ccccc4C)C[C@@H]3O)CC2=O)c1 ZINC000015062122 HD Annotated Anodyne COc1ccc(CNCCN2CCCCC2=O)cc1OC[C@@H](O)CN(C)C(C)C ZINC000015064265 HD Annotated Anodyne COc1ccc(CNCCN2CCCCC2=O)cc1OC[C@H](O)CN(C)C(C)C ZINC000015064266 HD Annotated Anodyne CN(Cc1cnccn1)C(=O)CCCn1nnnc1CN1CCc2ccccc2C1 ZINC000015064274 HD Annotated Anodyne O=C(CCCn1nnnc1CN1CCc2ccccc2C1)NCCc1cscn1 ZINC000015065335 HD Annotated Anodyne CN(Cc1cnn(C)c1)C(=O)CCCn1nnnc1CN1CCc2ccccc2C1 ZINC000015066219 HD Annotated Anodyne C[C@@H](O)CCC/C=C/[C@@H](O)[C@@H](O)/C=C/c1c(C[C@@H](O)C(C)(C)O)ccc(O)c1C=O ZINC000015104243 HD Annotated Anodyne C[C@H](O)CCC/C=C/[C@@H](O)[C@@H](O)/C=C/c1c(C[C@@H](O)C(C)(C)O)ccc(O)c1C=O ZINC000015104245 HD Annotated Anodyne C[C@@H](O)CCC/C=C/[C@H](O)[C@@H](O)/C=C/c1c(C[C@@H](O)C(C)(C)O)ccc(O)c1C=O ZINC000015104247 HD Annotated Anodyne C[C@H](O)CCC/C=C/[C@H](O)[C@@H](O)/C=C/c1c(C[C@@H](O)C(C)(C)O)ccc(O)c1C=O ZINC000015104249 HD Annotated Anodyne CC(C)CC(=O)C1=C(O)[C@@](O)(C(=O)C[C@@H]2OC2(C)C)[C@@H](C[C@@H](O)C(C)(C)O)C1=O ZINC000015104251 HD Annotated Mild in-man endogenous CC(C)CC(=O)C1=C(O)[C@](O)(C(=O)C[C@@H]2OC2(C)C)[C@@H](C[C@@H](O)C(C)(C)O)C1=O ZINC000015104253 HD Annotated Mild in-man endogenous CC(C)CC(=O)C1=C(O)[C@@](O)(C(=O)C[C@H]2OC2(C)C)[C@@H](C[C@@H](O)C(C)(C)O)C1=O ZINC000015104255 HD Annotated Mild in-man CC(C)CC(=O)C1=C(O)[C@](O)(C(=O)C[C@H]2OC2(C)C)[C@@H](C[C@@H](O)C(C)(C)O)C1=O ZINC000015104257 HD Annotated Mild in-man C=C[C@]1(C)[C@@H]2OC(=O)C(=C)[C@H]([C@@H](OC(=O)[C@@](C)(O)CC)[C@H]1C(=C)C=O)[C@H]2OC(C)=O ZINC000015108122 HD Annotated Reactive C=C1C(=O)O[C@@H]2[C@H]3C(C=O)=CC(=O)C3=C(C)C[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12 ZINC000015110410 HD Annotated Reactive CC1=C2C(=O)C=C(CO)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000015110453 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/COC(C)=O)C[C@]1(CO1)[C@@H]1[C@@H](O)C=C(C)[C@H]21 ZINC000015158412 HD Annotated Anodyne C=C(C)[C@H]1C/C=C(/C(=O)OC)[C@H](O)C(=O)C[C@@](C)(O)Cc2cc(C(=O)OC)c(o2)C1 ZINC000015158842 HD Annotated Mild CC(=O)O[C@@]1(C)C(=O)[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(COC(=O)C1)O2 ZINC000015166137 HD Annotated Anodyne in-vitro biogenic COC(=O)C1=Cc2cc(O)c(O)cc2[C@@H](c2cc(C(=O)O)oc(=O)c2)[C@@H]1C(=O)O ZINC000015203057 HD Annotated Clean COc1cc2c(cc1OS(=O)(=O)CC(=O)O)[C@]13C[C@@H](OC)C=CC1=CCN3CC2 ZINC000015203668 HD Annotated Anodyne CO[C@H]1C=CC2=CCN3CCc4cc(OS(=O)(=O)CC(=O)O)c(O)cc4[C@]23C1 ZINC000015203724 HD Annotated Anodyne in-man endogenous CO[C@@H]1C=CC2=CCN3CCc4cc(OS(=O)(=O)CC(=O)O)c(O)cc4[C@]23C1 ZINC000015203726 HD Annotated Anodyne in-man endogenous CO[C@H]1C=CC2=CCN3CCc4cc(OS(=O)(=O)CC(=O)O)c(O)cc4[C@@]23C1 ZINC000015203727 HD Annotated Anodyne in-man endogenous CO[C@@H]1C=CC2=CCN3CCc4cc(OS(=O)(=O)CC(=O)O)c(O)cc4[C@@]23C1 ZINC000015203729 HD Annotated Anodyne in-man endogenous COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(CC(C)=O)C[C@@H]3O ZINC000015215757 HD Annotated Clean COC1=C(C)C(=O)c2c(cc(OC)c(CSC[C@@H](NC(C)=O)C(=O)O)c2O)C1=O ZINC000015215934 HD Annotated Mild COC1=CC(=O)c2c(cc(OC)c(CSC[C@@H](NC(C)=O)C(=O)O)c2O)C1=O ZINC000015215938 HD Annotated Mild Cc1cnnc(/N=C(/N)Nc2ccc(S(=O)(=O)Nc3nc(C)ccc3C)cc2)n1 ZINC000015226847 HD Annotated Mild CC(=O)N[C@@H](CSc1c2nc3cc(C(=O)O)ccc3oc-2cc(=O)c1N)C(=O)O ZINC000015264106 HD Annotated Bother in-vitro CC(=O)N[C@@H](CSc1c2nc3cc(C=O)ccc3oc-2cc(=O)c1N)C(=O)O ZINC000015264113 HD Annotated Bother in-vitro CC(=O)N[C@H](CSc1c2nc3cc(C=O)ccc3oc-2cc(=O)c1N)C(=O)O ZINC000015264115 HD Annotated Bother in-vitro Cc1[nH]c(Cc2[nH]cc(CCC(=O)O)c2CC(=O)O)c(CCC(=O)O)c1CC(=O)O ZINC000015277485 HD Annotated Anodyne in-vitro CCNC(=O)Cn1c(=O)c(C(=O)NC)c(O)c2ncc(Cc3ccc(F)cc3)cc21 ZINC000150030463 HD Annotated Anodyne Cn1c2c(sc1=O)CCN(C(=O)c1cc3ncc(Br)cn3n1)CC2 ZINC000150198071 HD Annotated Anodyne Nc1c(/C=C2\C=Nc3ccccc32)c(=O)nc2sc(CC(=O)N3CCOCC3)nn12 ZINC000015837251 HD Annotated Anodyne CC(NNC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)=C1C=CC(=O)C=C1 ZINC000015880018 HD Annotated Reactive O=C(CNC(=O)c1ccc2c(c1)OCO2)NN/C=C1\C=C(Br)C=CC1=O ZINC000015880034 HD Annotated Reactive COc1cccc(-c2c(C(=O)N/N=C(/C)c3ccncc3)nnn2-c2nonc2N)c1 ZINC000015894632 HD Annotated Reactive CCCN(CCC)Cc1c(C(=O)N/N=C\c2ccco2)nnn1-c1nonc1N ZINC000015895130 HD Annotated Reactive CCCN(CCC)Cc1c(C(=O)N/N=C\c2ccc(C)o2)nnn1-c1nonc1N ZINC000015895314 HD Annotated Reactive CCCN(CCC)Cc1c(C(=O)N/N=C\c2ccsc2)nnn1-c1nonc1N ZINC000015895317 HD Annotated Reactive CCCN(CCC)Cc1c(C(=O)N/N=C\c2cccs2)nnn1-c1nonc1N ZINC000015895319 HD Annotated Reactive Nc1nonc1-n1nnc(C(=O)NN/C=C2\C=Nc3ccccc32)c1-c1ccccc1 ZINC000015933996 HD Annotated Reactive Nc1c(/C=C2/C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCCC3)nn12 ZINC000015934774 HD Annotated Mild CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000015935306 HD Annotated Anodyne CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(F)cc1)N1C(=O)c3ccccc3NC(=O)[C@@]21C ZINC000015935782 HD Annotated Anodyne Cc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C)C(=O)N(Cc4ccccc4)CC(=O)N23)o1 ZINC000015941167 HD Annotated Anodyne C[C@@]12C(=O)N(CC3CC3)CC(=O)N1[C@H](C1CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000015941180 HD Annotated Anodyne CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](/C=C/c1ccccc1)N1C(=O)CN(CC3CC3)C(=O)[C@@]21C ZINC000015941188 HD Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)NCC(=O)OC(C)(C)C)cc1 ZINC000015952240 HD Annotated Anodyne CN(C(=O)CSC1=NN/C(=C2/C=Nc3ccccc32)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000015953005 HD Annotated Anodyne CN(C(=O)CSC1=NN/C(=C2/C=Nc3ccccc32)O1)[C@H]1CCS(=O)(=O)C1 ZINC000015953006 HD Annotated Anodyne CCOc1ccccc1NC(=O)C(=O)NN/C=C1\C=C(Br)C=CC1=O ZINC000015953263 HD Annotated Reactive COC1=C/C(=C/NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C=C([N+](=O)[O-])C1=O ZINC000015961921 HD Annotated Mild Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccn2)c1CNc1ccccc1 ZINC000015985579 HD Annotated Reactive C=C(C)[C@H]1C/C=C(\C(=O)OC)[C@H](O)C(=O)C[C@@](C)(O)Cc2cc(C(=O)OC)c(o2)C1 ZINC000156602718 HD Annotated Mild C=C(C)[C@H]1C/C=C(\C(=O)OC)[C@@H](O)C(=O)C[C@@](C)(O)Cc2cc(C(=O)OC)c(o2)C1 ZINC000156602982 HD Annotated Mild CO[C@]12CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C3[C@H](O)C[C@]1(C)OC(C)=O)O2 ZINC000157026794 HD Annotated Anodyne C=C(C)C(=O)O[C@@H]1/C=C(\C=O)[C@H](OCC)CC[C@@]2(CO2)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000157045147 HD Annotated Reactive C=C1C(=O)O[C@@H]2/C=C(\COC(=O)[C@H](C)CC)C[C@@H](OC(C)=O)/C=C(\CO)C(=O)C[C@@H]12 ZINC000157046006 HD Annotated Mild C[C@H](O)CO[C@H](C)CO[C@H](C)CO[C@@H](C)CO[C@@H](C)CO[C@@H](C)COC[C@@H](C)O ZINC000016052094 HD Annotated Anodyne CCc1ccc(OCC(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)cc1 ZINC000016507236 HD Annotated Reactive Cc1c(C#N)c(O)nc(O)c1/C=N/c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000016694102 HD Annotated Mild CC(C)(C)N/N=C(C(\O)=N\c1n[nH]c(=S)[nH]1)/[C@@H]1C(=O)Nc2ccccc2[S@@]1=O ZINC000016957760 HD Annotated Mild CC(=O)CC(=O)O[C@H]1C[C@H]2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000165071672 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC(=O)[C@H](C)[C@@](O)(C(=O)C[C@@H](C)OC)[C@H]2OC(=O)[C@H](C)CC ZINC000165953393 HD Annotated Anodyne biogenic C=C1C(=O)O[C@@H]2[C@H]1CC(=O)[C@H](C)[C@@](O)(C(=O)C[C@@H](C)OC)[C@H]2OC(=O)[C@@H](C)CC ZINC000165953513 HD Annotated Anodyne biogenic C=C1C(=O)O[C@@H]2[C@H]1CC(=O)[C@H](C)[C@@](O)(C(=O)C[C@H](C)OC)[C@H]2OC(=O)[C@H](C)CC ZINC000165953608 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC(=O)[C@H](C)[C@@](O)(C(=O)C[C@H](C)OC)[C@H]2OC(=O)[C@@H](C)CC ZINC000165953715 HD Annotated Anodyne biogenic COC(=O)[C@H](O)[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C=O)[C@@H]4CC1)[C@H]32 ZINC000166278851 HD Annotated Anodyne COc1cc(O)c(C=O)c2oc(=O)c(CCC(=O)NCCN3CCOCC3)c(C)c12 ZINC000166488286 HD Annotated Anodyne COCCOc1cc(O)c(C=O)c2oc(=O)c(CCC(=O)NCCN(C)C)c(C)c12 ZINC000166638411 HD Annotated Anodyne COc1cccc2c1N1C(=O)C[C@@H]3OC[C@H]4O[C@]45CN(C)CC[C@]24C(=O)C[C@@H]5[C@@H]3[C@H]14 ZINC000166877560 HD Annotated Anodyne CNC[C@@H](Nc1ncnc2c1=C[C@@H](c1ccc(C#N)cc1)CC=2C(N)=O)c1ccccc1 ZINC000167078702 HD Annotated Mild CNC[C@H](Nc1ncnc2c1=C[C@@H](c1ccc(C#N)cc1)CC=2C(N)=O)c1ccccc1 ZINC000167078807 HD Annotated Mild CNC[C@@H](Nc1ncnc2c1=C[C@H](c1ccc(C#N)cc1)CC=2C(N)=O)c1ccccc1 ZINC000167078920 HD Annotated Mild CNC[C@H](Nc1ncnc2c1=C[C@H](c1ccc(C#N)cc1)CC=2C(N)=O)c1ccccc1 ZINC000167079013 HD Annotated Mild COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(-n2ccnn2)c1 ZINC000167146099 HD Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(-n2ccnn2)c1 ZINC000167146204 HD Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c(-n2ccnn2)c1 ZINC000167146299 HD Annotated Anodyne O=C1C([N+](=O)[O-])=CC(Br)=C/C1=C\NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 ZINC000168092627 HD Annotated Mild N#Cc1nccc(N2C[C@@H](S(=O)(=O)c3ccccc3C(F)(F)F)C[C@@H]2CO)n1 ZINC000168478704 HD Annotated Mild Cc1nnn(-c2ccc(F)cc2)c1COc1cc(C(=O)NN2CCOCC2)n(C)n1 ZINC000168597505 HD Annotated Anodyne CC1(C)[C@@H]2CC[C@@](C)(O2)[C@H]1COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1 ZINC000169289968 HD Annotated Anodyne CC1(C)[C@H]2CC[C@@](C)(O2)[C@H]1COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1 ZINC000169289969 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@@H]2CC[C@@H](O)[C@@]31CO1 ZINC000169290674 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@@H]2CC[C@@H](O)[C@@]31CO1 ZINC000169290675 HD Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@@H]2CC[C@@H](O)[C@@]31CO1 ZINC000169290676 HD Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C)[C@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@@H]2CC[C@@H](O)[C@@]31CO1 ZINC000169290677 HD Annotated Anodyne CN1CCN(Cc2ccc(C(=O)NN3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)CC1 ZINC000169292775 HD Annotated Anodyne CN1CCN(Cc2ccc(C(=O)NN3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)CC1 ZINC000169292777 HD Annotated Anodyne CN1CCN(Cc2ccc(C(=O)NN3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)CC1 ZINC000169292778 HD Annotated Anodyne O=C(C[C@H]1C/C=C/C[C@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)NCCO ZINC000169294067 HD Annotated Anodyne CC(/C=C\C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000169294260 HD Annotated Mild CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000169294261 HD Annotated Mild CC(/C=C\C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000169294262 HD Annotated Mild CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000169294263 HD Annotated Mild C=CCN1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000169294561 HD Annotated Mild C=CCN1C(=O)[C@H]2[C@@H](C(=O)NC3CCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000169294562 HD Annotated Mild C=CCN1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000169294563 HD Annotated Mild C=CCN1C(=O)[C@H]2[C@H](C(=O)NC3CCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 ZINC000169294564 HD Annotated Mild CN1CCN(C(=O)C[C@@H]2C/C=C\CCC(=O)O[C@H](c3ccccc3)CNC2=O)CC1 ZINC000169294947 HD Annotated Anodyne C[C@@H](NC(=O)Nc1nnc(C(F)(F)F)s1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169294993 HD Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(OCC)cc2)[C@@H]3C1=O ZINC000169296320 HD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc(OCC)cc2)[C@@H]3C1=O ZINC000169296321 HD Annotated Anodyne CCCC[C@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)[C@@H]([C@@H]6OC(=O)C(CO)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169297625 HD Annotated Anodyne CCCC[C@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)[C@H]([C@@H]6OC(=O)C(CO)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169297626 HD Annotated Anodyne CCCC[C@]12[C@H]3[C@H](O)CN1[C@H]1C[C@H]2O[C@@]32O[C@@H]([C@@H]3OC(=O)C(C)=C3OC)[C@@H](C)[C@H]12 ZINC000169297662 HD Annotated Anodyne CCCC[C@]12[C@H]3[C@H](O)CN1[C@H]1C[C@H]2O[C@@]32O[C@H]([C@@H]3OC(=O)C(C)=C3OC)[C@@H](C)[C@H]12 ZINC000169297663 HD Annotated Anodyne COc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000169298490 HD Annotated Anodyne COc1ccc(C(=O)NC[C@]23C=C[C@@H](O2)[C@@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000169298492 HD Annotated Anodyne COc1ccc(C(=O)NC[C@@]23C=C[C@H](O2)[C@@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000169298493 HD Annotated Anodyne C1CNCCN(CC[C@]23O[C@@]4(CCN5CCCNCC5)[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)C1 ZINC000169299829 HD Annotated Anodyne C1CNCCN(CC[C@@]23O[C@@]4(CCN5CCCNCC5)[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)C1 ZINC000169299830 HD Annotated Anodyne C1CNCCN(CC[C@]23O[C@]4(CCN5CCCNCC5)[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)C1 ZINC000169299831 HD Annotated Anodyne C1CNCCN(CC[C@]23O[C@@]4(CCN5CCCNCC5)[C@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@H]53)C1 ZINC000169299832 HD Annotated Anodyne O=C(C[C@H]1C/C=C/CC[C@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)NCCO ZINC000169300021 HD Annotated Anodyne O=C1C(C2=N[C@@H](C(=O)O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000169301249 HD Annotated Mild O=C1C(C2=N[C@@H](C(=O)O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000169301250 HD Annotated Mild C[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C/C[C@H](CC(=O)NCCO)C(=O)N1 ZINC000169302038 HD Annotated Anodyne CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H](N)CCCN=C(N)N ZINC000169302227 HD Annotated Mild CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H](N)CCCN=C(N)N ZINC000169302229 HD Annotated Mild N=C1C2=C3CCCN3[C@@](O)(N3CCOCC3)[C@@H]2NC(=O)N1c1ccc(Cl)cc1 ZINC000169302230 HD Annotated Anodyne CN1CCn2cnc(C(=O)NCc3ccc(CNC(=O)OC(C)(C)C)cc3)c2C1=O ZINC000169302757 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@@H]2[C@@H](NN3C(=O)c4ccccc4C3=O)C(=O)N12 ZINC000169302968 HD Annotated Anodyne CO[C@H]1CC[C@H]2CCN(C)C(=O)CCCN(C)C(=O)c3cccnc3OC[C@@H]1O2 ZINC000169303080 HD Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1CC(F)(F)F ZINC000169303403 HD Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1CC(F)(F)F ZINC000169303404 HD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1)[C@@H]1CC[C@H]31 ZINC000169303595 HD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4CC[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000169303597 HD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4CC[C@@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000169303599 HD Annotated Anodyne O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4CC[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000169303600 HD Annotated Anodyne COCCNC(=O)[C@@H]1C(=O)Nc2ccccc2C(=O)N1c1ccc2c(c1)OCCO2 ZINC000169303613 HD Annotated Anodyne COCCNC(=O)[C@H]1C(=O)Nc2ccccc2C(=O)N1c1ccc2c(c1)OCCO2 ZINC000169303614 HD Annotated Anodyne CO[C@H]1CC[C@H]2CCN(C)C(=O)CCN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000169304030 HD Annotated Mild O=C(NC1CCCC1)[C@@H]1c2ccccc2OCC(=O)N1CCCN1CCOCC1 ZINC000169304326 HD Annotated Anodyne O=C(NC1CCCC1)[C@H]1c2ccccc2OCC(=O)N1CCCN1CCOCC1 ZINC000169304328 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@@H]2[C@@H](NC(=O)COc3ccccc3)C(=O)N12 ZINC000169304620 HD Annotated Anodyne CO[C@H]1CC[C@H]2CCN(C)C(=O)CN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000169305321 HD Annotated Mild Cc1ccc(S(=O)(=O)NC[C@]23C=C[C@@H](O2)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 ZINC000169306848 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@]23C=C[C@H](O2)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 ZINC000169306850 HD Annotated Anodyne N[C@@H]1C=C[C@@H](NCCCNC[C@@H]2CCC[C@H](CNCCCN[C@@H]3C=C[C@H](N)C3)C2)C1 ZINC000169307566 HD Annotated Anodyne N[C@@H]1C=C[C@@H](NCCCNC[C@@H]2CCC[C@H](CNCCCN[C@H]3C=C[C@H](N)C3)C2)C1 ZINC000169307567 HD Annotated Anodyne Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N[C@@H](CO)C(C)C)cc3)nc12 ZINC000169310136 HD Annotated Anodyne Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N[C@H](CO)C(C)C)cc3)nc12 ZINC000169310139 HD Annotated Anodyne C=C(C)[C@H]1C[C@H]2O[C@@](O)(/C(C)=C/C(=O)/C=C(/C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1OC(C)=O ZINC000169310773 HD Annotated Mild C=C(C)[C@H]1C[C@H]2O[C@@](O)(/C(C)=C/C(=O)/C=C(\C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1OC(C)=O ZINC000169310775 HD Annotated Mild C=C(C)[C@H]1C[C@H]2O[C@@](O)(/C(C)=C\C(=O)/C=C(\C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1OC(C)=O ZINC000169310777 HD Annotated Mild CCOC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)/C(=C(\C)Nc1ncc(Cl)cn1)C2=O ZINC000169310879 HD Annotated Mild CN(C)C[C@@H](O)CN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1 ZINC000169312610 HD Annotated Anodyne CN(C)C[C@H](O)CN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1 ZINC000169312611 HD Annotated Anodyne O=C(Nc1cnc2ccc(Cl)cn2c1=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000169313113 HD Annotated Anodyne C[C@H]1COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C/C[C@H](CC(=O)NCCO)C(=O)N1 ZINC000169313528 HD Annotated Anodyne CCOC(=O)C(=O)Nc1cc(C(=O)OC)cc(NC(=O)C(=O)OCC)c1Cl ZINC000169316038 HD Annotated Anodyne CCOC(=O)C(=O)Nc1cc(C(F)(F)F)cc(NC(=O)C(=O)OCC)c1C#N ZINC000169316049 HD Annotated Mild CN1C(=O)C[C@@](C(=O)c2ccc(NC(=O)/C=C\C(=O)O)cc2)(c2ccccc2)C1=O ZINC000169316442 HD Annotated Anodyne CN1C(=O)C[C@](C(=O)c2ccc(NC(=O)/C=C\C(=O)O)cc2)(c2ccccc2)C1=O ZINC000169316444 HD Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1=O ZINC000169316485 HD Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCCCO)CC(=O)O1 ZINC000169317458 HD Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)CCCCO)CC(=O)O1 ZINC000169317459 HD Annotated Anodyne CCOC(=O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000169319048 HD Annotated Anodyne CS(=O)(=O)OCCN1[C@@H](OO)CCO[P@@]1(=O)N(CCCl)CCCl ZINC000169319557 HD Annotated Reactive CS(=O)(=O)OCCN1[C@H](OO)CCO[P@@]1(=O)N(CCCl)CCCl ZINC000169319559 HD Annotated Reactive CC(=O)Nc1cc(NC(C)=O)cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169320125 HD Annotated Reactive COC1CCN(S(=O)(=O)c2c(Cl)cc(S(N)(=O)=O)cc2Cl)CC1 ZINC000169322146 HD Annotated Anodyne CO[C@]12[C@H]3N[C@@H]3CN1c1c(O)c(C)c(/N=C3/C=CN=N3)c(O)c1[C@@H]2COC(N)=O ZINC000169323223 HD Annotated Mild CO[C@@]12[C@@H](COC(N)=O)c3c(O)c(/N=C4/C=CN=N4)c(C)c(O)c3N1C[C@@H]1N[C@H]12 ZINC000169323224 HD Annotated Mild CO[C@]12[C@H]3N[C@H]3CN1c1c(O)c(C)c(/N=C3/C=CN=N3)c(O)c1[C@@H]2COC(N)=O ZINC000169323227 HD Annotated Mild NCCCCNC1=C2C(=O)c3c(O)ccc(O)c3C(=O)C2=C(NCCCCN)CC1 ZINC000169323874 HD Annotated Mild CC(=O)N1CCN(CCC(=O)N[C@H]2C(=O)CC[C@@]3(C)c4cc(C)ccc4O[C@@H]23)CC1 ZINC000169323917 HD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CC/C(=N\O)[C@H](NC(=O)CCN3CCN(C)CC3)[C@@H]1O2 ZINC000169323929 HD Annotated Mild Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)OCCN3CCN(C)CC3)[C@@H]1O2 ZINC000169323950 HD Annotated Anodyne Cc1cc(=O)n(C(=O)c2nc3c(c(=O)[nH]2)[C@@H]2CCCN2C(=O)N3c2ccccc2)[nH]1 ZINC000169325942 HD Annotated Anodyne Cc1cc(=O)n(C(=O)c2nc3c(c(=O)[nH]2)[C@H]2CCCN2C(=O)N3c2ccccc2)[nH]1 ZINC000169325944 HD Annotated Anodyne CCOC(=O)C1=C(O)c2cc(N)c(N3CCN(C)CC3)cc2N(C2CC2)S1(=O)=O ZINC000169327258 HD Annotated Clean C/C=C/C=C/C(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)/C=C/C=C/C ZINC000169328574 HD Annotated Anodyne CC(=O)O[C@H]1[C@@H]2Oc3nc(=N)ccn3[C@@H]2O[C@@H]1COC(=O)C12C=CC(C)(CC1)CC2 ZINC000169330159 HD Annotated Anodyne CC(C)=CCC[C@]1(C)O[C@@H]1Cn1cc(CC(P(=O)(O)O)P(=O)(O)O)nn1 ZINC000169331280 HD Annotated Anodyne C[C@@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C/C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000169331569 HD Annotated Anodyne COc1ccc(-n2nnnc2[S@@](=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000169331777 HD Annotated Bother COc1ccc(-n2nnnc2[S@](=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000169331778 HD Annotated Bother O=[N+]([O-])c1ccc(-n2nnnc2[S@@](=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000169331779 HD Annotated Bother O=[N+]([O-])c1ccc(-n2nnnc2[S@](=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000169331780 HD Annotated Bother COc1ccc(-n2nnnc2S(=O)(=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000169331783 HD Annotated Bother COc1cc(/C=C/C(=O)N2CCC=C(N3CCOCC3)C2=O)cc(OC)c1OC ZINC000169331801 HD Annotated Anodyne C=CCN1C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000169332776 HD Annotated Mild C=CCN1C(=O)[C@H]2[C@@H](C(=O)NCc3ccccc3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000169332778 HD Annotated Mild C=CCN1C(=O)[C@@H]2[C@H](C(=O)NCc3ccccc3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC(C)(C)C ZINC000169332779 HD Annotated Mild C[C@@H]1OC(=O)c2c(O)cc3c(ncn3C)c2/C=C\C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C ZINC000169332975 HD Annotated Mild C[C@@H]1OC(=O)c2c(O)cc3c(ncn3C)c2/C=C\C[C@H](O)[C@H](O)C(=O)/C=C/[C@H]1C ZINC000169332978 HD Annotated Mild C[C@@H]1OC(=O)c2c(O)cc3c(ncn3C)c2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C/[C@H]1C ZINC000169332980 HD Annotated Mild C#CCCCO/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169333922 HD Annotated Mild C#CCCCO/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169333924 HD Annotated Mild CCOC(=O)C[C@@H]1Sc2nc(=O)cc(NC(C)=O)n2[C@@]1(O)c1ccc(Cl)cc1 ZINC000169335474 HD Annotated Anodyne CCOC(=O)C[C@H]1Sc2nc(=O)cc(NC(C)=O)n2[C@@]1(O)c1ccc(Cl)cc1 ZINC000169335475 HD Annotated Anodyne CCOC(=O)C[C@@H]1Sc2nc(=O)cc(NC(C)=O)n2[C@]1(O)c1ccc(Cl)cc1 ZINC000169335476 HD Annotated Anodyne CCOC(=O)C[C@H]1Sc2nc(=O)cc(NC(C)=O)n2[C@]1(O)c1ccc(Cl)cc1 ZINC000169335477 HD Annotated Anodyne COC(=O)[C@@H]1C[C@]23C(=NN=C(SC)[C@H]2N(C)c2ccc(OC)cc23)N1C(C)=O ZINC000169336331 HD Annotated Clean COC(=O)[C@H]1C[C@]23C(=NN=C(SC)[C@H]2N(C)c2ccc(OC)cc23)N1C(C)=O ZINC000169336333 HD Annotated Clean CC(=O)Nc1cc(NC(C)=O)cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169336528 HD Annotated Reactive CCN1C(=O)CN(S(=O)(=O)c2ccc(-n3nc(C(=O)O)cc3C)cc2)C1=S ZINC000169336826 HD Annotated Anodyne C=CCN1C(=O)CN(S(=O)(=O)c2ccc(-n3nc(C(=O)O)cc3C)cc2)C1=S ZINC000169336828 HD Annotated Mild CCCN1C(=O)CN(S(=O)(=O)c2ccc(-n3nc(C(=O)O)cc3C)cc2)C1=S ZINC000169336830 HD Annotated Anodyne CCN1C(=O)CCN(S(=O)(=O)c2ccc(-n3nc(C(=O)O)cc3C)cc2)C1=S ZINC000169336848 HD Annotated Anodyne CC(C)=CCC[C@@]1(C)O[C@@H]1Cn1cc(CC(P(=O)(O)O)P(=O)(O)O)nn1 ZINC000169338601 HD Annotated Anodyne CC[C@@H](C(=O)NO)[C@@H](CO)Cc1c[n+](Cc2ccc(Br)cc2)cn1C ZINC000169339298 HD Annotated Bother CC[C@H](C(=O)NO)[C@@H](CO)Cc1c[n+](Cc2ccc(Br)cc2)cn1C ZINC000169339300 HD Annotated Bother CC[C@@H](C(=O)NO)[C@H](CO)Cc1c[n+](Cc2ccc(Br)cc2)cn1C ZINC000169339303 HD Annotated Bother CC[C@H](C(=O)NO)[C@H](CO)Cc1c[n+](Cc2ccc(Br)cc2)cn1C ZINC000169339306 HD Annotated Bother CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3ccc(F)nc3OC[C@@H]1O2 ZINC000169340135 HD Annotated Anodyne CO[C@H]1CC[C@H]2CC(=O)N(C)CCN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000169340305 HD Annotated Mild O=C(N/N=C/C=C\c1ccccc1)[C@@H](O)[C@@H](O)C(=O)N/N=C\C=C/c1ccccc1 ZINC000169341123 HD Annotated Reactive O=C(N/N=C\C=C\c1ccccc1)[C@@H](O)[C@@H](O)C(=O)N/N=C\C=C/c1ccccc1 ZINC000169341124 HD Annotated Reactive O=C(N/N=C/C=C/c1ccccc1)[C@@H](O)[C@@H](O)C(=O)N/N=C\C=C/c1ccccc1 ZINC000169341126 HD Annotated Reactive Cc1cc(C)n2nc(C(=O)NS(=O)(=O)c3ccccc3OC(F)(F)F)nc2n1 ZINC000169342506 HD Annotated Anodyne Cc1cc(C)n2nc(C(=O)NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)nc2n1 ZINC000169342514 HD Annotated Anodyne CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@@H]([N+](=O)[O-])[C@@H]3O ZINC000169342999 HD Annotated Bother CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@H]([N+](=O)[O-])[C@H]3O ZINC000169343012 HD Annotated Bother CCC(=O)OCc1cn(CCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1 ZINC000169346135 HD Annotated Reactive C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@@H](N)C(=O)O)CC(=O)O1 ZINC000169346271 HD Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O1 ZINC000169346273 HD Annotated Anodyne N[C@@H]1NC(=S)NN=C1n1c(-c2ccccc2)c(S(N)(=O)=O)c2cc(F)ccc21 ZINC000169346649 HD Annotated Anodyne N[C@H]1NC(=S)NN=C1n1c(-c2ccccc2)c(S(N)(=O)=O)c2cc(F)ccc21 ZINC000169346650 HD Annotated Anodyne C=CCn1c(=O)/c(=C\c2cc(OC)c(OC)c(OC)c2)[nH]c(=O)/c1=C\c1ccccc1 ZINC000169348708 HD Annotated Mild NC(=O)c1cccc2c1O/C(=C\c1ccc(OCC(=O)N3CCOCC3)cc1)C2=O ZINC000169348814 HD Annotated Mild C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5C(=O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3OC(C)=O ZINC000169350100 HD Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C\C[C@@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)[C@@H](CO)O1 ZINC000169351197 HD Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C/C[C@@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)[C@@H](CO)O1 ZINC000169351199 HD Annotated Mild C=CC[C@H]1C=C[C@@H](O/N=C\C[C@@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)[C@@H](CO)O1 ZINC000169351201 HD Annotated Mild C=CC[C@H]1C=C[C@@H](O/N=C/C[C@@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)[C@@H](CO)O1 ZINC000169351203 HD Annotated Mild COc1cnc2c(C(=O)NCCO)cn(Cc3ncnc(OC(F)F)c3C)c2c1 ZINC000169351309 HD Annotated Anodyne COC(=O)CNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 ZINC000169352017 HD Annotated Anodyne CC[C@]1(C(=O)O)C[C@@H](C(=O)OC)C2=Nc3cc(OC)ccc3[C@@]23CCN(CCO)[C@@H]13 ZINC000169352311 HD Annotated Anodyne CC[C@]1(C(=O)O)C[C@@H](C(=O)OC)C2=Nc3cc(OC)ccc3[C@@]23CCN(CCO)[C@H]13 ZINC000169352312 HD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(Br)cc1F ZINC000169353636 HD Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(Br)cc1F ZINC000169353637 HD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(Br)cc1F ZINC000169353638 HD Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(Br)cc1F ZINC000169353639 HD Annotated Anodyne CC(C)CCO[C@@H]1C=CC(=O)[C@@H](Cn2cc(CCn3cc(C4CC4)nn3)nn2)O1 ZINC000169353717 HD Annotated Mild CCOC(=O)N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169354725 HD Annotated Reactive CCOC(=O)N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169354726 HD Annotated Reactive C[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C/C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000169355478 HD Annotated Anodyne O=C(C[C@@H]1C/C=C/C[C@@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)NCCO ZINC000169355530 HD Annotated Anodyne O=C(C[C@H]1C/C=C/CC[C@@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)NCCO ZINC000169355643 HD Annotated Anodyne C#CCN1C(=O)CC[C@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@H]2N(C)c1ccccc13 ZINC000169355817 HD Annotated Mild C#CCN1C(=O)CC[C@@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@H]2N(C)c1ccccc13 ZINC000169355818 HD Annotated Mild C#CCCCO/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169356335 HD Annotated Mild C#CCCCO/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169356336 HD Annotated Mild COC(=O)C1(C(=O)OC)[C@H]2C(=O)[C@@H]3[C@@H]([C@@H]21)C3(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000169357686 HD Annotated Anodyne COC(=O)C1(C(=O)OC)[C@@H]2[C@H]1C(=O)[C@H]1[C@@H]2C1(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000169357687 HD Annotated Anodyne COC(=O)C1(C(=O)OC)[C@H]2C(=O)[C@H]3[C@@H]([C@@H]21)C3(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000169357688 HD Annotated Anodyne C[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C/C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000169357722 HD Annotated Anodyne OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)/C=N/c1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000169358814 HD Annotated Mild OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)/C=N/c1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000169358815 HD Annotated Mild CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@H]1C ZINC000169359039 HD Annotated Mild CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@H]1C ZINC000169359040 HD Annotated Mild CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(COC(C)=O)=C/[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000169360661 HD Annotated Mild CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(COC(C)=O)=C/[C@H]3OC(=O)[C@@]1(C)[C@@H]23 ZINC000169360662 HD Annotated Mild C[C@@H]1O[C@H](OCCCNC(=O)O[C@@H](C)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@@H](O)C[C@@H]1O ZINC000169362603 HD Annotated Anodyne C[C@H](OC(=O)NCCCO[C@H]1O[C@H](C)[C@@H](O)C[C@@H]1O)[C@@H]1O[C@@]2(C)CCC[C@@H]1O2 ZINC000169362604 HD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@](O)(C=C[C@@]52CO)[C@@]63O)CC[C@@H]41 ZINC000169363372 HD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)[C@]2(O)CC[C@](C)(/C=C3\OC(=O)C(COC)=C31)O2 ZINC000169363722 HD Annotated Anodyne CC(=O)OC/C=C(/CO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C\[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000169363726 HD Annotated Anodyne CC(=O)OC/C=C(/CO)C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C\[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000169363728 HD Annotated Anodyne COC(=O)CC[S@](=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000169365417 HD Annotated Anodyne COC(=O)CC[S@@](=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000169365418 HD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C(=O)[C@@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(COC(C)=O)[C@]1(C)[C@@]21CO1 ZINC000169366900 HD Annotated Mild OC[C@H](O)[C@@H](O)[C@@H](O)COC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000169366902 HD Annotated Mild C=C(C)C(=O)O[C@@H]1C(=O)[C@@H]2O[C@H]3C=C(C)C(=O)C[C@]3(COC(C)=O)[C@]1(C)[C@@]21CO1 ZINC000169366903 HD Annotated Mild OC[C@H](O)[C@H](O)[C@@H](O)COC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000169366905 HD Annotated Mild Cc1cc(F)ccc1NCc1cc(C(=O)N2CC[C@@H](O)C2)cc(N2CC[C@@H](O)C2)n1 ZINC000169370925 HD Annotated Anodyne CC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000169371295 HD Annotated Anodyne CC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@@H]4O[C@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000169371296 HD Annotated Anodyne COC(=O)C[S@](=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000169371639 HD Annotated Anodyne COC(=O)C[S@@](=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000169371640 HD Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCN(C)C)CC(=O)O1 ZINC000169371923 HD Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)CCN(C)C)CC(=O)O1 ZINC000169371924 HD Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)c3ccc(CNC4CC4)cc3)[C@H]12 ZINC000169372547 HD Annotated Anodyne C=C[C@](C)(O)[C@H]1O[C@@H](O)[C@]2([C@@H](C)CC[C@@]3(C)[C@@H]2CC(=O)[C@@H]2O[C@@]23C)[C@@H]1OC(C)=O ZINC000169578270 HD Annotated Mild COc1ccc2c(c1O)N(C(C)=O)[C@@H]1C[C@H]3CCN(C)CC[C@@]21C(=O)[C@]31O[C@H]1C ZINC000169638221 HD Annotated Anodyne O=C1C[C@]2(C(=O)N(CO)c3cc(O)ccc32)[C@H](c2c[nH]c3ccccc23)[C@@H](CO)O1 ZINC000169638262 HD Annotated Anodyne CCC(=O)CC[C@@]12CO[C@@]34[C@H]5CC(=O)[C@]3(O)CC[C@@H]1CN(C)C[C@@]24C[C@H]5C(=O)OC ZINC000169640122 HD Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(=O)C(C)C)C[C@@]3(C)O[C@@H]3CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O ZINC000169644355 HD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)/C(C(=O)OC)=C\CC[C@@]1(C)O[C@H]21 ZINC000169645167 HD Annotated Mild biogenic CO[C@H]1C2=C(C(=O)C3=C(C[C@@H](O)[C@H](OC)O3)C2=O)[C@@]2(C)CCC(C)=C(C)[C@@H]2[C@@H]1O ZINC000169648945 HD Annotated Mild CO[C@@H]1C2=C(C)[C@H]3C[C@@]4(COC(C)=O)C(=O)O[C@H]5CC[C@H](C)[C@]1(C)[C@@]5(O)C[C@@]24O3 ZINC000169659141 HD Annotated Anodyne C=C[C@@]1(C)[C@H]2[C@@H](OC(=O)C(C)C)[C@@H]3C(=C)C(=O)O[C@@H]3[C@@H]1O[C@H](OC(C)=O)[C@@]21CO1 ZINC000169663126 HD Annotated Mild C=C1[C@@H]2C[C@@H]3O[C@H](O)[C@@H]4C(C)(C)CC[C@@H]5OC(=O)[C@@](C2)([C@@H]3[C@]54C=O)[C@@H]1OC(C)=O ZINC000169664494 HD Annotated Mild CC[C@H](O)[C@@H]1CCC[C@@H]2[C@@H]3[C@@H](C)[C@@H](O)[C@]4(OC(=O)C(C)=C4OC)[C@@]3(O)CCCN12 ZINC000169665593 HD Annotated Anodyne CC[C@@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@]2(O)C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@]12C3=O ZINC000169666152 HD Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)C[C@@]23O[C@@H]2C[C@H](OC(C)=O)[C@H](C)[C@@]13C ZINC000169668685 HD Annotated Anodyne CC[C@@H]1C(=O)CCCCN2C(=O)[C@@](O)(C[C@H]2[C@@H]2C[C@H](C)C(=O)O2)[C@H]2[C@H](C)C(=O)O[C@@H]12 ZINC000169671444 HD Annotated Anodyne CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@]23C[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N(CCCC[C@]1(O)O2)C3=O ZINC000169671445 HD Annotated Anodyne CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@H]2C(=O)C[C@@H]([C@@H]2C[C@H](C)C(=O)O2)N2CCCC[C@]1(O)C2=O ZINC000169671446 HD Annotated Anodyne C=C[C@@](C)(O)[C@H]1O[C@@H](O)[C@]2([C@@H](C)CC[C@@]3(C)[C@H]2CC(=O)[C@@H]2O[C@@]23C)[C@@H]1OC(C)=O ZINC000169674892 HD Annotated Mild CC[C@@H]1CN2CC[C@]34c5ccccc5N5[C@@H]6[C@@H]7O[C@@]53[C@@H](C[C@@]6(O)O[C@H]7CO)[C@H]1C[C@H]24 ZINC000169675320 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(C)=O)[C@@]1(C)[C@@H]([C@@H](OC(=O)/C(C)=C\C)C[C@H]1O)[C@H](C)[C@H]2O ZINC000169675823 HD Annotated Mild Cn1cc(C(=O)c2cncc(N(N)C(=O)Cc3n[nH]c4c3CCC4)c2)c2cncnc21 ZINC000169686334 HD Annotated Reactive CN(C)CCCN1C(=O)C(=O)[C@H](C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccn1 ZINC000169686637 HD Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@@H](C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccn1 ZINC000169686638 HD Annotated Anodyne COCc1cc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCOCCO)ccc1O ZINC000169687258 HD Annotated Anodyne COCc1cc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCOCCO)ccc1O ZINC000169687259 HD Annotated Anodyne COCc1cc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCOCCO)ccc1O ZINC000169687260 HD Annotated Anodyne COCc1cc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCOCCO)ccc1O ZINC000169687261 HD Annotated Anodyne COC(=O)C1=C(C)OC(=N)[C@@H](C#N)[C@@H]1c1cc(OC)c(OCC(N)=O)cc1Cl ZINC000169687373 HD Annotated Mild COC(=O)C1=C(C)OC(=N)[C@H](C#N)[C@@H]1c1cc(OC)c(OCC(N)=O)cc1Cl ZINC000169687374 HD Annotated Mild O=c1[nH]c(=O)n(-c2ccc(Br)cc2)c(O)c1/C=N/CCN1CCCCC1 ZINC000169688913 HD Annotated Mild CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(OCC)cc2)[C@H]3C1=O ZINC000169689363 HD Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc(OCC)cc2)[C@H]3C1=O ZINC000169689364 HD Annotated Anodyne C=c1cc2[nH]c(=O)/c(=C\c3cccn3CCCOc3ccc(OC)cc3)c(=N)n2o1 ZINC000169689784 HD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000169690333 HD Annotated Bother COC(=O)CC1=C(C(=O)OC)[C@@H](c2cc(OC)c(OC)cc2OC)[C@@H](C#N)C(=N)O1 ZINC000169691347 HD Annotated Mild COC(=O)CC1=C(C(=O)OC)[C@H](c2cc(OC)c(OC)cc2OC)[C@@H](C#N)C(=N)O1 ZINC000169691348 HD Annotated Mild COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(O)c(OC)c2)[C@H]1C(=O)c1ccccc1 ZINC000169693230 HD Annotated Anodyne COC(=O)C1=Nc2nnnn2[C@H](c2ccc(O)c(OC)c2)[C@H]1C(=O)c1ccccc1 ZINC000169693231 HD Annotated Anodyne Cn1c(SCC(=O)N/N=C/[c-]2cc([N+](=O)[O-])ccc2=O)nnc1-c1ccccc1 ZINC000169693300 HD Annotated Reactive CCc1ncnc(N2CCC(O)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1 ZINC000169697509 HD Annotated Mild CCc1ncnc(N2CCOCC2)c1C#Cc1cnc(OC)c(NS(C)(=O)=O)c1 ZINC000169697518 HD Annotated Mild O=C(O)c1cc(NCCO)c2nc(N3CCOCC3)nc(-c3ccccc3O)c2n1 ZINC000169698816 HD Annotated Anodyne Cn1cc(-c2nc(C(=O)Nc3cnn(C)c3N3CCC[C@H](N)CC3)c(N)s2)cn1 ZINC000169699464 HD Annotated Anodyne COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N(CC(N)=O)C1=O ZINC000169700441 HD Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21N=C(N)N(CC(N)=O)C1=O ZINC000169700442 HD Annotated Mild CNC(=O)c1nn(C)cc1NC(=O)c1nc(C(C)(C)C)ncc1Nc1cncnc1 ZINC000169701716 HD Annotated Anodyne CNC(=O)c1nn(C)cc1NC(=O)c1nc(CC(C)C)ncc1Nc1cncnc1 ZINC000169701718 HD Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(C(C)(C)C)cnc2Nc2cncnc2)cnn1C ZINC000169701774 HD Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(C3CCC3)ncc2Nc2cncnc2)cnn1C ZINC000169701816 HD Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(CC(C)C)ncc2Nc2cncnc2)cnn1C ZINC000169701940 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCNCC4)cc3)nc(N3CC[C@@H](N=O)C3)c2c1=O ZINC000169702079 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCNCC4)cc3)nc(N3CC[C@H](N=O)C3)c2c1=O ZINC000169702080 HD Annotated Anodyne COc1cc(-c2cc(C(=O)N[C@@H]3CC[C@@H](C(=O)O)CC3)c3c(N)ncnn23)ccn1 ZINC000169704050 HD Annotated Anodyne COc1cc(-c2cc(C(=O)N[C@@H]3CC[C@@H](O)CC3)c3c(N)ncnn23)ccc1C(N)=O ZINC000169704066 HD Annotated Anodyne COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N3CC(O)C3)c2n1 ZINC000169704226 HD Annotated Anodyne NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(OC[C@@H](O)CO)c3)nc12 ZINC000169704273 HD Annotated Anodyne NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(OC[C@H](O)CO)c3)nc12 ZINC000169704274 HD Annotated Anodyne NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC[C@@H](O)CO)nc12 ZINC000169704275 HD Annotated Anodyne NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OC[C@H](O)CO)nc12 ZINC000169704276 HD Annotated Anodyne COCCN(C)c1ccc(-n2c(O)nnc2-c2cc(C(C)C)c(O)cc2O)c[n+]1[O-] ZINC000169706530 HD Annotated Anodyne CS(=O)(=O)n1cc2c(n1)CN([C@H]1CS[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000169708409 HD Annotated Anodyne NC(=O)Cn1cc2c(n1)CN([C@H]1CS[C@@H](c3cc(F)cc(F)c3F)[C@@H](N)C1)C2 ZINC000169708411 HD Annotated Anodyne NC(=O)Cn1cc2c(n1)CN([C@H]1CS[C@H](c3cc(F)cc(F)c3F)[C@@H](N)C1)C2 ZINC000169708412 HD Annotated Anodyne CSC[C@@H](CN(CC1=CN=C2C(=O)N=CN=C12)Cc1ccccc1)[C@H](O)CO ZINC000169708430 HD Annotated Anodyne CSC[C@H](CN(CC1=CN=C2C(=O)N=CN=C12)Cc1ccccc1)[C@H](O)CO ZINC000169708431 HD Annotated Anodyne CC(C)(CNC(=O)c1nc(C#N)c2c(=O)n(Cc3ccccc3)ccc2c1O)C(=O)O ZINC000169710938 HD Annotated Mild N#Cc1nc(C(=O)NCc2ccnnc2)c(O)c2ccn(Cc3ccccc3)c(=O)c12 ZINC000169710948 HD Annotated Mild COCCNC(=O)c1ncc2c(=O)n(Cc3ccc(OC)cc3OC)ccc2c1O ZINC000169710964 HD Annotated Anodyne CC(C)NC(=O)NCCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710974 HD Annotated Anodyne COC(=O)N(C)CCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710983 HD Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nc(C5CC5)n(C)c(=O)c4C3)ncnn12 ZINC000169711774 HD Annotated Anodyne CCn1c(C2CC2)nc2c(c1=O)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711778 HD Annotated Anodyne CC1=C(N)/C(=N/Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)[C@@H](C)C1=O ZINC000169715182 HD Annotated Mild CC1=C(N)/C(=N/Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)[C@H](C)C1=O ZINC000169715183 HD Annotated Mild CC1=C(N)/C(=N/Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)[C@@H](C)C1=O ZINC000169715184 HD Annotated Mild CC1=C(N)/C(=N/Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C(=O)[C@H](C)C1=O ZINC000169715185 HD Annotated Mild CC1=C(N)/C(=N/Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)[C@@H](C)C1=O ZINC000169715194 HD Annotated Mild CC1=C(N)/C(=N/Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)[C@H](C)C1=O ZINC000169715195 HD Annotated Mild CN(C)CCCN1CCN(CCCn2c(O)c3n(c2=O)Cc2ccccc2C3)CC1 ZINC000169718921 HD Annotated Anodyne C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2cccc(Br)c12 ZINC000169719825 HD Annotated Anodyne CC1=NC(=S)N[C@@H](c2cccc(O)c2)[C@@H]1C(=O)NCCOCCOCCN=[N+]=[N-] ZINC000169720079 HD Annotated Clean CC1=NC(=S)N[C@H](c2cccc(O)c2)[C@@H]1C(=O)NCCOCCOCCN=[N+]=[N-] ZINC000169720080 HD Annotated Clean CC1=NC(=S)N[C@@H](c2cccc(O)c2)[C@H]1C(=O)NCCOCCOCCN=[N+]=[N-] ZINC000169720081 HD Annotated Clean CC1=NC(=S)N[C@H](c2cccc(O)c2)[C@H]1C(=O)NCCOCCOCCN=[N+]=[N-] ZINC000169720082 HD Annotated Clean COc1ccc2c(c1)/C(=N/n1cc(O)n(CCCN3CCN(C)CC3)c1=O)CCO2 ZINC000169721352 HD Annotated Mild CN1CCN(CCCn2c(O)cn(/N=C3\CCOc4ccc(Cl)cc43)c2=O)CC1 ZINC000169721357 HD Annotated Mild CN1CCN(CCCCn2c(O)cn(/N=C3\CCOc4ccc(O)cc43)c2=O)CC1 ZINC000169721362 HD Annotated Mild Cc1ccc2c(c1)/C(=N/n1cc(O)n(CCCCN3CCN(C)CC3)c1=O)CCO2 ZINC000169721364 HD Annotated Mild COC(=O)CN/C=C1\C(=O)CC[C@@]2(C)c3cc4c(cc3C(=O)C(=O)[C@@H]12)C(=O)C=CC4=O ZINC000169724443 HD Annotated Mild COC(=O)CN/C=C1\C(=O)CC[C@@]2(C)c3cc4c(cc3C(=O)C(=O)[C@H]12)C(=O)C=CC4=O ZINC000169724444 HD Annotated Mild Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1cnc[nH]1 ZINC000169724676 HD Annotated Anodyne Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1CC1CCNCC1 ZINC000169724677 HD Annotated Anodyne CCCC[C@@]12[C@H]3[C@H](O)CN1[C@H]1C[C@H]2O[C@@]32O[C@H]([C@@H]3OC(=O)C(C)=C3OC)[C@@H](C)[C@H]12 ZINC000169727409 HD Annotated Anodyne CCCC[C@@]12[C@H]3[C@H](O)CN1[C@H]1C[C@H]2O[C@@]32O[C@@H]([C@@H]3OC(=O)C(C)=C3OC)[C@@H](C)[C@H]12 ZINC000169727410 HD Annotated Anodyne O=C(O)Cn1c(O)cn(/N=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)s2)c1=O ZINC000169727423 HD Annotated Mild O=C1N=c2cc([N+](=O)[O-])ccc2=C1c1[nH]c2ccc(Br)cc2c1NO ZINC000169729438 HD Annotated Bother O=c1nc2sc([N+](=O)[O-])cn2c2c1[C@@H](c1ccccc1[N+](=O)[O-])NC(=S)N2 ZINC000169729540 HD Annotated Bother O=c1nc2sc([N+](=O)[O-])cn2c2c1[C@H](c1ccccc1[N+](=O)[O-])NC(=S)N2 ZINC000169729541 HD Annotated Bother C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C/C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000169729606 HD Annotated Mild O=S(=O)(Nc1cccc(B(O)O)c1)c1cc(S(=O)(=O)c2ccccc2)cs1 ZINC000169748478 HD Annotated Reactive in-vivo O=S(=O)(Nc1cccc(B(O)O)c1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000169879842 HD Annotated Reactive O=C(NCc1ccc(S(=O)(=O)Nc2cccc(B(O)O)c2)s1)c1ccccc1 ZINC000169879928 HD Annotated Reactive OB(c1ccccc1)c1cccc(COCc2cccc(B(O)c3ccccc3)c2)c1 ZINC000169912800 HD Annotated Unstable COC[C@@H](COc1nc(Oc2ccc3c(c2)COB3O)c(Cl)cc1C#N)OC ZINC000169938774 HD Annotated Mild COC[C@H](COc1nc(Oc2ccc3c(c2)COB3O)c(Cl)cc1C#N)OC ZINC000169938777 HD Annotated Mild Cn1c(-c2ccccc2)cc(=NNS(C)(=O)=O)c2cc(S(=O)(=O)O)ccc21 ZINC000017110208 HD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C(=O)[C@H]2O[C@H]3C=C(C)C(=O)C[C@]3(COC(C)=O)[C@]1(C)[C@@]21CO1 ZINC000017125274 HD Annotated Mild C=C(C)C(=O)O[C@@H]1C(=O)[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(COC(C)=O)[C@]1(C)[C@@]21CO1 ZINC000017125280 HD Annotated Mild Cc1ccccc1NC(=O)/C(=N/NC(=O)CC#N)[C@H]1C(=O)N(c2ccccc2)N=C1N ZINC000017191931 HD Annotated Reactive COC(=O)C1=C(C(=O)OC)[C@]23C=CC=C[C@]24C[C@@H](C(C(=O)OC)=C4C(=O)OC)[C@H]13 ZINC000017197480 HD Annotated Anodyne COc1ccc(S(=O)(=O)N/N=C/CN2C(=O)c3ccccc3C2=O)cc1OC ZINC000017197755 HD Annotated Mild CCOC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@]2(O)CCC[C@@]12C(=O)OCC ZINC000017198247 HD Annotated Anodyne COc1ccc(S(=O)(=O)N/N=C(\C)CN2C(=O)c3ccccc3C2=O)cc1OC ZINC000017212455 HD Annotated Mild Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(CC(=O)c1sc(C(N)=S)nc1C)=N\N ZINC000017214694 HD Annotated Mild CC(C)[C@H]1CNC(=O)[C@]2(/C=N/[C@H](C(C)C)CNC(=O)[C@]3(/C=N/1)CCCO3)CCCO2 ZINC000017218279 HD Annotated Anodyne N#Cc1c(-c2ccco2)c2c(n([C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCCC2 ZINC000017252276 HD Annotated Mild N#Cc1c(-c2ccco2)c2c(n([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCCC2 ZINC000017252281 HD Annotated Mild N#Cc1c(-c2ccco2)c2c(n([C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCCC2 ZINC000017252285 HD Annotated Mild N#Cc1c(-c2ccco2)c2c(n([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCCC2 ZINC000017252289 HD Annotated Mild C/C(=N\NC(=S)NCCNC(=S)N/N=C(\C)c1ccccn1)c1ccccn1 ZINC000017252666 HD Annotated Mild O=c1[nH]nc(-c2ccccc2)n1/N=C\CC/C=N\n1c(-c2ccccc2)n[nH]c1=O ZINC000017261138 HD Annotated Mild CC(=O)OC[C@H]1O[C@@](COC(C)=O)(c2ccc(C)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017419585 HD Annotated Anodyne CC(=O)OC[C@H]1O[C@](COC(C)=O)(c2ccc(C)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017419588 HD Annotated Anodyne CC1(C)[C@H]2CC[C@]3(C)OB(CC[C@H](N)C(=O)NS(=O)(=O)C(F)(F)F)O[C@]13C2 ZINC000170026941 HD Annotated Mild CC1(C)[C@@H]2CC[C@]3(C)OB(CC[C@H](N)C(=O)NS(=O)(=O)C(F)(F)F)O[C@]13C2 ZINC000170026946 HD Annotated Mild O=C1C(C2=N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000018143646 HD Annotated Mild O=C1C(C2=N[C@H](C(=O)O)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000018143647 HD Annotated Mild CN1CCN(c2ccc3[nH]c(-c4cc(O)c5c(nc(CO)n5C)c4O)nc3n2)CC1 ZINC000018205331 HD Annotated Anodyne CCOC(=O)N/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 ZINC000018212865 HD Annotated Reactive CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N/C(C)=O ZINC000018279983 HD Annotated Bother COCCCNc1nc2nonc2nc1N1CCC([C@@H](C)N2CCOCC2)CC1 ZINC000019223323 HD Annotated Anodyne COCCCNc1nc2nonc2nc1N1CCC([C@H](C)N2CCOCC2)CC1 ZINC000019223324 HD Annotated Anodyne COCCS(=O)(=O)c1ncc(CN(C)CCc2cn[nH]c2)n1Cc1ccccc1 ZINC000019226281 HD Annotated Anodyne CN1CCN([C@@H]2CCN(C3CCN(c4ccc5c(c4)OCO5)CC3)C[C@H]2O)CC1 ZINC000019228731 HD Annotated Clean CN(C)C1(N(C)C)Oc2c(c(=O)n(C)c(=O)n2C)[C@H](c2ccc(F)cc2)C1(F)F ZINC000019319331 HD Annotated Anodyne Cc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)OC(N(C)C)(N(C)C)C2(F)F)cc1 ZINC000019319337 HD Annotated Anodyne COc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)OC(N(C)C)(N(C)C)C2(F)F)cc1 ZINC000019319339 HD Annotated Anodyne COc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)OC(N(C)C)(N(C)C)C2(F)F)cc1 ZINC000019320042 HD Annotated Anodyne Cc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)OC(N(C)C)(N(C)C)C2(F)F)cc1 ZINC000019321424 HD Annotated Anodyne CN(C)C1(N(C)C)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H](c2ccc(F)cc2)C1(F)F ZINC000019321427 HD Annotated Anodyne CCN1CCN(C)C[C@H](NC(=O)c2cc(Br)c(NC)nc2OC)C1 ZINC000019359121 HD Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4CC[C@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000194947365 HD Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1CCN(c3cnccn3)CC1)[C@H]1C=C[C@H]2[C@H]2CC[C@H]21 ZINC000194947377 HD Annotated Anodyne CCC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(CC)CC1 ZINC000019501916 HD Annotated Anodyne CCC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(CC)CC1 ZINC000019501917 HD Annotated Anodyne CCCC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(C)CC1 ZINC000019502149 HD Annotated Anodyne CCCC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(C)CC1 ZINC000019502150 HD Annotated Anodyne O=C(CCn1nnnc1CN1CCOCC1)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000019536952 HD Annotated Anodyne O=C(CCn1nnnc1CN1CCOCC1)N1CC[C@H](c2ccccc2Cl)C1 ZINC000019536955 HD Annotated Anodyne COc1ccc(OC)c([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C)CC2)c1 ZINC000019589815 HD Annotated Anodyne COc1ccc(OC)c([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C)CC2)c1 ZINC000019589816 HD Annotated Anodyne COc1ccc(OC)c([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C)CC2)c1 ZINC000019589817 HD Annotated Anodyne COc1ccc(OC)c([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C)CC2)c1 ZINC000019589818 HD Annotated Anodyne O=S(=O)(CC1CC1)c1ncc(CN2CCc3[nH]ncc3C2)n1C[C@@H]1CCCO1 ZINC000019731122 HD Annotated Anodyne O=S(=O)(CC1CC1)c1ncc(CN2CCc3[nH]ncc3C2)n1C[C@H]1CCCO1 ZINC000019731124 HD Annotated Anodyne CCS(=O)(=O)c1ncc(CN2CCN(C(C)=O)CC2)n1CCc1ccccc1 ZINC000019740677 HD Annotated Anodyne C1C[C@@H](CN2CCOCC2)CN(c2nc3nonc3nc2N2CCSCC2)C1 ZINC000019741121 HD Annotated Anodyne C1C[C@H](CN2CCOCC2)CN(c2nc3nonc3nc2N2CCSCC2)C1 ZINC000019741123 HD Annotated Anodyne Clc1ccc(N2CCN(c3nc4nonc4nc3N3CCSCC3)CC2)nc1 ZINC000019744275 HD Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H](O)[C@@H](N2CCCN(Cc3cccs3)CC2)C1 ZINC000019790619 HD Annotated Anodyne O=C(CCCn1nnnc1CN1CCOCC1)N1CC[C@@H](c2ccccc2Cl)C1 ZINC000019841382 HD Annotated Anodyne O=C(CCCn1nnnc1CN1CCOCC1)N1CC[C@H](c2ccccc2Cl)C1 ZINC000019841385 HD Annotated Anodyne O=C1CN([C@@H]2c3ccccc3C3(CCN(C(=O)c4ccsc4)CC3)[C@H]2O)CCN1 ZINC000019939663 HD Annotated Anodyne C=C(C)[C@H]1C[C@@H]2O[C@@](O)(/C(C)=C\C(=O)/C=C(\C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1OC(C)=O ZINC000195034480 HD Annotated Mild C=C(C)[C@H]1C[C@@H]2O[C@@](O)(/C(C)=C/C(=O)/C=C(\C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1OC(C)=O ZINC000195034495 HD Annotated Mild C=C(C)[C@H]1C[C@@H]2O[C@@](O)(/C(C)=C/C(=O)/C=C(/C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1OC(C)=O ZINC000195034515 HD Annotated Mild O=S(=O)(c1ccccc1Cl)N1N=Cc2sc(Br)cc2B1O ZINC000195057287 HD Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)N2N=Cc3cc(Br)ccc3B2O)cc1 ZINC000195065839 HD Annotated Bother Cc1ccc2c(n1)N(CCN1CCOCC1)C[C@H](C(=O)NC1CCC(C)CC1)[C@H]2O ZINC000195211083 HD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@@](O)(C=C[C@@]12CO)[C@@]43O ZINC000195214283 HD Annotated Anodyne CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000195307576 HD Annotated Mild CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000195307585 HD Annotated Mild CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@H]1C ZINC000195307594 HD Annotated Mild C#CCCCO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000195346522 HD Annotated Mild C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000195346533 HD Annotated Mild C#CCCCO/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000195346537 HD Annotated Mild C#CCCCO/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000195346545 HD Annotated Mild CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@H]2CC[C@@H](O)[C@@]31CO1 ZINC000195355423 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@H]2CC[C@@H](O)[C@@]31CO1 ZINC000195355430 HD Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C)[C@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@H]2CC[C@@H](O)[C@@]31CO1 ZINC000195355436 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@H]2CC[C@@H](O)[C@@]31CO1 ZINC000195355443 HD Annotated Anodyne C=CC[C@H](O)[C@@]12[C@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000195357798 HD Annotated Mild C=CCN1C(=O)[C@H]2[C@H](C(=O)NC3CCCC3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 ZINC000195358193 HD Annotated Mild O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000195363022 HD Annotated Bother COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)cc1 ZINC000195366554 HD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(Br)cc1 ZINC000195371103 HD Annotated Anodyne C=CC[C@@H](O)[C@@]12[C@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000195386025 HD Annotated Mild C=CC[C@@H](O)[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000195386033 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)[C@@H](OC(C)=O)C/C=C(\C)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H](O)[C@@H]12 ZINC000195412311 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(\C)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H](O)[C@@H]12 ZINC000195412314 HD Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C\C[C@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)[C@@H](CO)O1 ZINC000195420605 HD Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C/C[C@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)[C@@H](CO)O1 ZINC000195420612 HD Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C\C[C@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)[C@@H](CO)O1 ZINC000195420615 HD Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C/C[C@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)[C@@H](CO)O1 ZINC000195420622 HD Annotated Mild CC(/C=C\C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000195449013 HD Annotated Mild CC(/C=C\C(O)=C1\C(=O)CNC1=O)=C/[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000195449020 HD Annotated Mild CC(=C/[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C)/C=C/C(O)=C1/C(=O)CNC1=O ZINC000195449027 HD Annotated Mild COc1ccc(N2C(=O)[C@@H]3CN(C)[C@]4(C(=O)Nc5ccc(OC)cc54)[C@@H]3C2=O)cc1 ZINC000195450889 HD Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CN(C)[C@]4(C(=O)Nc5ccc(OC)cc54)[C@@H]3C2=O)cc1 ZINC000195450896 HD Annotated Anodyne CCOC(=O)[C@@H]1CCCN(Cc2cn(C[C@@H](O)COC(=O)C3CCCCC3)nn2)C1 ZINC000195451626 HD Annotated Anodyne CCOC(=O)[C@H]1CCCN(Cc2cn(C[C@@H](O)COC(=O)C3CCCCC3)nn2)C1 ZINC000195451630 HD Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(CO)\C=C/[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/COC(C)=O)[C@H]12 ZINC000195460441 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(CO)\C=C\[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/COC(C)=O)[C@H]12 ZINC000195460448 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(CO)/C=C\[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/COC(C)=O)[C@H]12 ZINC000195460453 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(CO)/C=C/[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/COC(C)=O)[C@H]12 ZINC000195460458 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)[C@]3(O)O[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@H]12)C[C@H]3OC(C)=O ZINC000195467792 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)[C@]3(O)O[C@@](C)(C[C@H](OC(=O)C(C)C)[C@H]12)C[C@H]3OC(C)=O ZINC000195467796 HD Annotated Mild CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)C(=O)OC(C)(C)C)c1cccc(F)c1)B(O)O ZINC000195475145 HD Annotated Reactive CC(C)C[C@H](NC(=O)C[C@H](NC(=O)C(=O)OC(C)(C)C)c1cccc(F)c1)B(O)O ZINC000195475152 HD Annotated Reactive COc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@H]4C3=O)CC2)cc1 ZINC000195475162 HD Annotated Clean COc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@@H]4C3=O)CC2)cc1 ZINC000195475169 HD Annotated Clean C#CCCCO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@H]1CC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000195489279 HD Annotated Mild C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@H]1CC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000195489281 HD Annotated Mild C#CCCCO/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@H]1CC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000195489286 HD Annotated Mild C#CCCCO/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@H]1CC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000195489290 HD Annotated Mild COC(=O)C1(C(=O)OC)[C@H]2C(=O)[C@@H]3[C@@H]([C@H]21)C3(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000195501348 HD Annotated Anodyne COC(=O)C1(C(=O)OC)[C@H]2C(=O)[C@@H]3[C@H]([C@@H]21)C3(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000195501352 HD Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@@H]5C[C@@]43O ZINC000195510212 HD Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@]43O ZINC000195510215 HD Annotated Anodyne CC(C)[C@H]1CNC(=O)[C@]2(/C=N\[C@H](C(C)C)CNC(=O)[C@]3(/C=N/1)CCCO3)CCCO2 ZINC000195515786 HD Annotated Anodyne CC(C)[C@H]1CNC(=O)[C@]2(/C=N/[C@H](C(C)C)CNC(=O)[C@]3(/C=N\1)CCCO3)CCCO2 ZINC000195515787 HD Annotated Anodyne CC(=O)O[C@]12O[C@@](C)([C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]31)N(c1ccccc1)C2=O ZINC000195515825 HD Annotated Anodyne CC(=O)O[C@@]12O[C@](C)([C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]31)N(c1ccccc1)C2=O ZINC000195515827 HD Annotated Anodyne COC(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@@]1(C(=O)OC)[S@@](=O)C[C@@]12CC[C@@H](C[C@@H]1O)C2(C)C ZINC000195518062 HD Annotated Anodyne COC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@@]1(C(=O)OC)[S@@](=O)C[C@@]12CC[C@@H](C[C@@H]1O)C2(C)C ZINC000195518063 HD Annotated Anodyne COC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@]1(C(=O)OC)[S@@](=O)C[C@@]12CC[C@@H](C[C@@H]1O)C2(C)C ZINC000195518065 HD Annotated Anodyne COC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@]1(C(=O)OC)[S@@](=O)C[C@@]12CC[C@@H](C[C@@H]1O)C2(C)C ZINC000195518067 HD Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@]23C=CC=C[C@@]24C(C(=O)OC)=C(C(=O)OC)[C@H]4[C@@H]1C3 ZINC000195524525 HD Annotated Anodyne C=C1CC[C@]2(C)C3=C(C(=O)[C@@]4(C[C@@H]4C)[C@H](OC(C)=O)C3=O)[C@H](OC=O)[C@@H](O)[C@H]2C1=C ZINC000197213654 HD Annotated Mild CC(=O)O[C@H]1CC[C@H]2C(=O)O[C@H]3C[C@]4(C)O[C@H](C5=C[C@@H](O)OC5=O)C[C@]4(C)[C@@H]1[C@]32C ZINC000197396000 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000197452102 HD Annotated Reactive biogenic CC(=O)O[C@H]1[C@]23C[C@@H](CC[C@H]2[C@]24CO[C@H](CC2=O)C(C)(C)[C@H]4[C@H](O)C3=O)[C@]12CO2 ZINC000197878322 HD Annotated Anodyne COC(=O)C1=CN[C@@H](OC)[C@@H]2[C@@H]1C[C@@H]1c3[nH]c4ccccc4c3CC[N+]1([O-])[C@H]2CO ZINC000198512024 HD Annotated Bother CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1C[C@@H]2O[C@](C)(O1)[C@@]1(C)O[C@H]1[C@@H]2O ZINC000198564166 HD Annotated Mild CC(=O)O[C@@H]1C=C[C@H]2C(=O)OC[C@]23CC=C2C(=O)O[C@@H](c4ccoc4)[C@H](O)[C@]2(C)[C@@H]13 ZINC000198710013 HD Annotated Anodyne CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000198794618 HD Annotated Mild CN1CCN(c2ccc(-c3ncc4c(n3)N(CCN3CCOCC3)CC4)cc2)CC1 ZINC000198992392 HD Annotated Anodyne C/C=C/C=C/C(O)=C1/C(=O)[C@@]2(C)C[C@@]3(C(=O)C(Cl)=C[C@H](O)[C@@H]3O)[C@@H]1[C@](C)(O)C2=O ZINC000199175004 HD Annotated Mild C/C=C/C=C/C(O)=C1/C(=O)[C@@]2(C)C[C@@]3(C(=O)C(Cl)=C[C@H](O)[C@H]3O)[C@@H]1[C@](C)(O)C2=O ZINC000199175017 HD Annotated Mild C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CCCn1ccnc1 ZINC000199214663 HD Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CCCn1ccnc1 ZINC000199214681 HD Annotated Anodyne CC[C@@H](c1nnnn1-c1c(C)cccc1C)N1CCN(CCN2CCOCC2)CC1 ZINC000199217361 HD Annotated Anodyne CC[C@H](c1nnnn1-c1c(C)cccc1C)N1CCN(CCN2CCOCC2)CC1 ZINC000199217383 HD Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1CCCN1CCOCC1 ZINC000199225168 HD Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1CCCN1CCOCC1 ZINC000199225182 HD Annotated Anodyne C[C@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1Cc1cccs1 ZINC000199234134 HD Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2)CN(S(C)(=O)=O)CC(=O)N1Cc1cccs1 ZINC000199234153 HD Annotated Anodyne CCCCc1cc2c(c(O)c1OC)C(=O)c1[nH]c(C(=O)OC)c(O)c(=O)c1C2=O ZINC000199282236 HD Annotated Clean CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000199650107 HD Annotated Mild COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(C)(=O)=O)c13)C(=O)N(C)C2 ZINC000199731941 HD Annotated Anodyne C[C@H](NC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1C)C(=O)OC(C)(C)C ZINC000002001610 HD Annotated Bother CN(C)CCCN1C(=O)C(=O)[C@@H](C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccn1 ZINC000002253857 HD Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@H](C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccn1 ZINC000002253858 HD Annotated Anodyne Cc1nc2c(C)cccn2c1C(=O)[C@@H]1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccncc1 ZINC000002416968 HD Annotated Anodyne CCN(CCN(C)C)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456170 HD Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC[C@H]3CCCO3)c21 ZINC000002456172 HD Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC[C@@H]3CCCO3)c21 ZINC000002456174 HD Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN(C)C)c21 ZINC000002456193 HD Annotated Anodyne CN(C)CCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000002459266 HD Annotated Anodyne COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000002461970 HD Annotated Anodyne O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)N1CCC2(CC1)OCCO2 ZINC000002467823 HD Annotated Anodyne Cc1c(C(=O)N2CCC(C)CC2)sc2ncn(CC(=O)N3CCOCC3)c(=O)c12 ZINC000002477380 HD Annotated Anodyne CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NC[C@H](O)CO ZINC000002483831 HD Annotated Bother CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NC[C@@H](O)CO ZINC000002483833 HD Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CO)c([N+](=O)[O-])cc1OC ZINC000002483839 HD Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CO)c([N+](=O)[O-])cc1OC ZINC000002483841 HD Annotated Bother COCCCN(C(C)=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492705 HD Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492707 HD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000002492807 HD Annotated Anodyne Cc1sc2ncn(CC(=O)NCCCC(=O)NCc3ccccn3)c(=O)c2c1C ZINC000002493840 HD Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@](Nc1nc3ccccc3s1)(C(F)(F)F)C(=O)N2 ZINC000020069814 HD Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@](Nc1nc3ccccc3s1)(C(F)(F)F)C(=O)N2 ZINC000020069816 HD Annotated Anodyne COC(=O)C1=C(C)OC(=O)[C@@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000020069890 HD Annotated Anodyne COC(=O)C1=C(C)OC(=O)[C@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000020069892 HD Annotated Anodyne O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000020130776 HD Annotated Anodyne Cc1ccc(CNC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3c2cnn3C)cc1 ZINC000020132345 HD Annotated Anodyne COc1ccc(CNS(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)c(OC)c1 ZINC000020136861 HD Annotated Anodyne CCN1CCN(CCCNC(=O)COc2ccc3c(c2)C(=O)CC(C)(C)O3)CC1 ZINC000020136885 HD Annotated Anodyne Cc1nn2cc(CCNC(=O)Cn3ncc(N4CCCCC4)cc3=O)nc2s1 ZINC000020166088 HD Annotated Anodyne CN(CC(=O)N1CCN(C2CCCC2)CC1)S(=O)(=O)c1cccc2nsnc12 ZINC000020235810 HD Annotated Anodyne CCN1CCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)CC1 ZINC000020240347 HD Annotated Anodyne CCCN1CCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1 ZINC000020382687 HD Annotated Anodyne CC[C@@H](C(=O)NCCN1CCOCC1)n1nc(C)n2c(cc3sccc32)c1=O ZINC000020383964 HD Annotated Anodyne CC[C@H](C(=O)NCCN1CCOCC1)n1nc(C)n2c(cc3sccc32)c1=O ZINC000020383968 HD Annotated Anodyne CC[C@@H](C(=O)NCCCN1CCN(C)CC1)n1nc(C)n2c(cc3occc32)c1=O ZINC000020416824 HD Annotated Anodyne CC[C@H](C(=O)NCCCN1CCN(C)CC1)n1nc(C)n2c(cc3occc32)c1=O ZINC000020416826 HD Annotated Anodyne CC1CCN(c2c(NCC3CCC(C(=O)N4CCOCC4)CC3)c(=O)c2=O)CC1 ZINC000020418612 HD Annotated Anodyne Cc1cnc(C)c(N2CCN(Cc3cnc(S(C)(=O)=O)n3CC(C)C)CC2)n1 ZINC000020455406 HD Annotated Anodyne CC1(c2cc(NC(=O)[C@@H]3CCCCN3C(=O)N3CCS(=O)(=O)CC3)on2)CC1 ZINC000200022118 HD Annotated Anodyne O=C(Nc1cc(C2CCCC2)no1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 ZINC000200022804 HD Annotated Anodyne COC(=O)C1=C(CCO)C2=C3C1=C(O)[C@]1(O)C[C@H]4N(C[C@@H](CCC2=O)[C@@]34C)C[C@H]1C ZINC000200110081 HD Annotated Mild C=C1CC[C@H]([C@](C)(CC[C@@H](O)C(=C)C)O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C[C@@H]1O ZINC000200177742 HD Annotated Mild C=C1CC[C@H]([C@](C)(C/C=C/C(C)(C)O)O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C[C@@H]1O ZINC000200177788 HD Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1C=C[C@@](C)(OO)CC1 ZINC000200177929 HD Annotated Reactive C/C(=C/CC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1C=C[C@@](C)(OO)CC1)CO ZINC000200178006 HD Annotated Reactive O=C(CC[C@@]1(CCO)OOC2(O1)C1CC3CC(C1)CC2C3)NCCN1CCOCC1 ZINC000200496653 HD Annotated Reactive O=C(CC[C@]1(CCO)OOC2(O1)C1CC3CC(C1)CC2C3)NCCN1CCOCC1 ZINC000200496685 HD Annotated Reactive CCCCOC(=O)[C@@]1(O)C[C@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O1)[C@H]2O ZINC000200663169 HD Annotated Anodyne CN1C(=O)/C(=N\Nc2ccccc2[N+](=O)[O-])c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000200775381 HD Annotated Mild CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)=C(NNc1ccccc1Cl)C(=O)N=2 ZINC000200777832 HD Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)=C(NNc1ccccc1Cl)C(=O)N=2 ZINC000200777860 HD Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CC(=O)N4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 ZINC000200867307 HD Annotated Anodyne CC1=C(C)[C@H]2[C@H](CC(C)C)NC(=O)[C@]23C(=O)C[C@@H]2[C@@H]4O[C@@](C)(CC[C@H]4O)[C@@H]2[C@H]3[C@@H]1O ZINC000200906584 HD Annotated Anodyne CSCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000201439028 HD Annotated Anodyne CCOC(=O)Cc1nc(N2CCN(C=O)CC2)c2c(C)c(C(=O)OCC)sc2n1 ZINC000201463940 HD Annotated Anodyne CC(=O)N1CCCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1 ZINC000201488843 HD Annotated Anodyne CS(=O)(=O)NCCOc1ccc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2c1 ZINC000202403553 HD Annotated Mild CC[C@@H]1O[C@H](C)CN2c3c(cc4c(C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000202887451 HD Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)N2CCOCC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464215 HD Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)N1CCOCC1 ZINC000203466656 HD Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@](CCC(=O)OCC)(C(=O)OCC)C2=CCCCN2C1=O ZINC000203469087 HD Annotated Mild COC(=O)[C@]1(CNS(=O)(=O)c2ccc(F)cc2)CC(=O)N(C)[C@@H]1c1ccccc1 ZINC000203469979 HD Annotated Anodyne CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)OC)O[C@H]1CO2 ZINC000203473636 HD Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000203474461 HD Annotated Anodyne CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CS4)C2)CC1 ZINC000203474538 HD Annotated Anodyne CN1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CS4)C2)CC1 ZINC000203474543 HD Annotated Anodyne O=C(CCCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ncccn2)CC1 ZINC000203474888 HD Annotated Anodyne O=C(CCCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000203474894 HD Annotated Anodyne CC(C)(O)[C@H](CO)NCc1ccnc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000204412280 HD Annotated Anodyne COC[C@@H](CO)NCc1ccnc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000204414232 HD Annotated Anodyne COC[C@H](CO)NCc1ccnc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000204414251 HD Annotated Anodyne CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C3CCCCC3)C2)CC1 ZINC000020511465 HD Annotated Anodyne CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)N(C)C3CCCCC3)C2)CC1 ZINC000020511467 HD Annotated Anodyne CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000020531724 HD Annotated Anodyne COc1ccc(CCNC(=O)C2=C(C)C(=O)OC23CCN(C(C)=O)CC3)cc1OC ZINC000020531789 HD Annotated Anodyne Cc1cccnc1CN1CCN(C(=O)Cn2nnnc2CN2CCCCCC2)CC1 ZINC000020540636 HD Annotated Anodyne CCOC(=O)c1c(S(=O)(=O)N[C@@H](CC)CN2CCOCC2)c(C)n(C)c1C ZINC000020582533 HD Annotated Anodyne CCOC(=O)c1c(S(=O)(=O)N[C@H](CC)CN2CCOCC2)c(C)n(C)c1C ZINC000020582537 HD Annotated Anodyne CCOC(=O)c1c(S(=O)(=O)NCC[C@@H](C)N2CCOCC2)c(C)n(C)c1C ZINC000020582540 HD Annotated Anodyne CCOC(=O)c1c(S(=O)(=O)NCC[C@H](C)N2CCOCC2)c(C)n(C)c1C ZINC000020582544 HD Annotated Anodyne CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020583731 HD Annotated Anodyne CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020583735 HD Annotated Anodyne C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCCC3)C2)C1 ZINC000020688588 HD Annotated Anodyne C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCCC3)C2)C1 ZINC000020688594 HD Annotated Anodyne CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCCN3CCOCC3)c2c1C ZINC000020753848 HD Annotated Anodyne O=C(Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O)NCCN1CCCC1 ZINC000020847775 HD Annotated Anodyne CC[C@@H](c1ccccc1)c1n[nH]c2c1CN(S(=O)(=O)N1CCN(C)CC1)CC2 ZINC000020858007 HD Annotated Anodyne CC[C@H](c1ccccc1)c1n[nH]c2c1CN(S(=O)(=O)N1CCN(C)CC1)CC2 ZINC000020858012 HD Annotated Anodyne Cc1cccc2[nH]c(CN(C)[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3O)nc12 ZINC000020908674 HD Annotated Anodyne CO[C@@H]1C2=C(C(=O)C3=C(C2=O)S(=O)(=O)CCN3)C(C)(C)[C@@H]2CC[C@@](C)(OC)[C@@H]12 ZINC000205008300 HD Annotated Mild CC(=O)O[C@@H]1C2=C([C@H]3OC(=O)/C(=C/O[C@H]4C=C(C)C(=O)O4)[C@@H]13)C(C)(C)C(=O)CC2 ZINC000205039885 HD Annotated Anodyne Cn1c(=O)n(CCOC(=O)CNC(=O)/C=C/c2ccccc2)c(=O)c2ccccc21 ZINC000205087070 HD Annotated Anodyne COC1=C/C(=c2/cnc3n2NC(c2cc(OC)c(OC)c(OC)c2)=CC=3)C=CC1=O ZINC000205206458 HD Annotated Mild COC1=C/C(=c2/cnc3n2NC(c2cccc(OC(F)(F)F)c2)=CC=3)C=CC1=O ZINC000205206532 HD Annotated Mild CCOC(=O)CCNC(=O)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000205212435 HD Annotated Anodyne CCOC(=O)CCNC(=O)C1=CN2CCN(Cc3ccc(F)cc3)C(=O)N=C2O1 ZINC000205214081 HD Annotated Anodyne C[C@H](C(=O)NCCCn1ccnc1)N1Cc2ccc(Nc3ncccn3)nc2C1=O ZINC000205216272 HD Annotated Anodyne CN1CCN(C(=O)C2=CN3CCN(Cc4cccc(Cl)c4)C(=O)N=C3O2)CC1 ZINC000205219575 HD Annotated Anodyne COc1ccc(NC(=O)C2=CN3CCN(Cc4c(C)noc4C)C(=O)N=C3O2)cn1 ZINC000205219701 HD Annotated Anodyne CCOC(=O)CCNC(=O)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205226872 HD Annotated Anodyne CS(=O)(=O)c1ccc(CN2CCN3C(C(=O)NCC4CC4)=COC3=NC2=O)cc1 ZINC000205232946 HD Annotated Anodyne CCOC(=O)CCNC(=O)C1=COC2=NC(=O)N(Cc3ccc(F)cc3)CCN12 ZINC000205234840 HD Annotated Anodyne COCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O ZINC000205240394 HD Annotated Reactive CCOCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O ZINC000205240419 HD Annotated Reactive COc1cc2c(cc1OC)[C@@H]1[C@H](OC(C)=O)[C@@H](OC)[C@H](OC)C3=CCN(C2=O)[C@H]31 ZINC000205374868 HD Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(N3CCCC3=O)cc21 ZINC000205480832 HD Annotated Anodyne CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)on1 ZINC000205502525 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(\CO)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 ZINC000205575135 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](OC(C)=O)C/C=C(\CO)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 ZINC000205575152 HD Annotated Mild Cc1c([C@@H](O)CN2CC[C@@H](NC[C@H](O)c3ccc(C#N)cn3)C2)ccc2c1COC2=O ZINC000205636718 HD Annotated Mild Cc1c([C@@H](O)CN2CC[C@@H](NC[C@@H](O)c3ccc(C#N)cn3)C2)ccc2c1COC2=O ZINC000205636739 HD Annotated Mild Cc1c([C@@H](O)CN[C@@H]2CCN(C[C@H](O)c3ccc(C#N)cn3)C2)ccc2c1COC2=O ZINC000205636807 HD Annotated Mild Cc1c([C@@H](O)CN[C@@H]2CCN(C[C@@H](O)c3ccc(C#N)cn3)C2)ccc2c1COC2=O ZINC000205636829 HD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@H](N1CCOCC1)CO2 ZINC000205787386 HD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@@H](N1CCOCC1)CO2 ZINC000205787401 HD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncc(F)cn1 ZINC000205808467 HD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncc(F)cn1 ZINC000205808486 HD Annotated Mild Cc1noc(C)c1CN1CCN2C=C(C(=O)NCCC(F)(F)F)OC2=NC1=O ZINC000206023262 HD Annotated Anodyne CCOC(=O)CCNC(=O)C1=CN2CCN(Cc3ccccc3C)C(=O)N=C2O1 ZINC000206055178 HD Annotated Anodyne C[C@H](C(=O)N[C@H](CO)c1ccccc1)N1Cc2ccc(N3CCOCC3)nc2C1=O ZINC000206055218 HD Annotated Anodyne CC(C)NC(=O)C1=COC2=NC(=O)N(Cc3ccc(S(C)(=O)=O)cc3)CCN12 ZINC000206059317 HD Annotated Anodyne COC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)Nc1cc(F)ccc1F ZINC000206064698 HD Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206065079 HD Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000206065669 HD Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206065710 HD Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206065770 HD Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206065794 HD Annotated Anodyne COC(=O)CCCCC(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000206492921 HD Annotated Anodyne COC(=O)CCCCC(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000206492964 HD Annotated Anodyne O=C1N[C@H](CN(Cc2ccccc2)C(=O)CN2CCCNC2=O)N[C@@H]2CCCC[C@H]12 ZINC000207056311 HD Annotated Anodyne O=C1N[C@H](CN(Cc2ccccc2)C(=O)CN2CCCNC2=O)N[C@H]2CCCC[C@H]12 ZINC000207056382 HD Annotated Anodyne N[C@@H]1[C@H](N(Cc2ccco2)C(=O)c2cnccn2)C(=O)NC(=O)N1Cc1ccccc1 ZINC000207303695 HD Annotated Anodyne N[C@H]1[C@H](N(Cc2ccco2)C(=O)c2cnccn2)C(=O)NC(=O)N1Cc1ccccc1 ZINC000207303743 HD Annotated Anodyne N[C@@H]1[C@@H](N(Cc2ccco2)C(=O)c2cnccn2)C(=O)NC(=O)N1Cc1ccccc1 ZINC000207303790 HD Annotated Anodyne N[C@H]1[C@@H](N(Cc2ccco2)C(=O)c2cnccn2)C(=O)NC(=O)N1Cc1ccccc1 ZINC000207303831 HD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1cccnc1-n1cccn1 ZINC000207500196 HD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1cccnc1-n1cccn1 ZINC000207500278 HD Annotated Anodyne CC(C)(C)[Si](O[C@@H](C1OCCO1)[C@@H](O)CO)(c1ccccc1)c1ccccc1 ZINC000208152127 HD Annotated Reactive CNS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H](c2ccccn2)NC1=O ZINC000209078293 HD Annotated Anodyne CNS(=O)(=O)Cc1ccccc1CNC(=O)[C@H]1CC[C@H](c2ccccn2)NC1=O ZINC000209078328 HD Annotated Anodyne CNS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H](c2ccccn2)NC1=O ZINC000209078359 HD Annotated Anodyne CNS(=O)(=O)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H](c2ccccn2)NC1=O ZINC000209078390 HD Annotated Anodyne CC1=C(CC/C(C)=C/COC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(C)(C)[C@@H](C)CC1 ZINC000209325595 HD Annotated Anodyne CS(=O)(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000209691814 HD Annotated Anodyne Cc1cc(=O)n(CC(=O)NCCN2CCOCC2)c2c1c(C)nn2-c1ccccc1 ZINC000021089657 HD Annotated Anodyne C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CN[C@@H]2[C@@H](C1)C(=O)NC(=O)N2C ZINC000210490000 HD Annotated Anodyne CN(C)C(=O)C[C@@H]1COc2ccc(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21 ZINC000215742619 HD Annotated Mild CN(C)C(=O)C[C@H]1COc2ccc(C#CC(C)(C)O)cc2-c2nc(C(N)=O)sc21 ZINC000215742661 HD Annotated Mild CN1CCC[C@](O)(C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)C1=O ZINC000215746327 HD Annotated Mild CN1CCC[C@@](O)(C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)C1=O ZINC000215746373 HD Annotated Mild Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)cn1C ZINC000215748678 HD Annotated Mild Cc1nc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)cn1C ZINC000215748729 HD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(F)ccn1 ZINC000215749465 HD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(F)ccn1 ZINC000215749514 HD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncccc1F ZINC000215749592 HD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncccc1F ZINC000215749636 HD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(C#N)on1 ZINC000215749832 HD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(C#N)on1 ZINC000215749887 HD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(C=O)on1 ZINC000215749955 HD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(C=O)on1 ZINC000215750004 HD Annotated Mild C#Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000215750198 HD Annotated Mild C#Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000215750251 HD Annotated Mild Cn1cnc([C@](C)(O)C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)c1 ZINC000215751847 HD Annotated Mild Cn1cnc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)c1 ZINC000215751894 HD Annotated Mild COCCN(C)Cc1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(C)O)cc1-2 ZINC000215752884 HD Annotated Mild Cc1nccn1Cc1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(C)O)cc1-2 ZINC000215753460 HD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CCCC3=O)n1CCO2 ZINC000215753794 HD Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCCn2c-3nc(C(N)=O)c2C2CC2)C1=O ZINC000215762893 HD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(-c3n[nH]c(C4CC4)n3)n1CCO2 ZINC000215767632 HD Annotated Mild Cn1nccc1Cc1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000215769400 HD Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#CC3(O)CCCCC3)cc1-2 ZINC000215776228 HD Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@H](F)c2sc(C(N)=O)nc2-3)C1=O ZINC000215776635 HD Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@@H](F)c2sc(C(N)=O)nc2-3)C1=O ZINC000215776686 HD Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-n1nc(C(N)=O)cc1C(F)(F)CO2)c1cccnn1 ZINC000215777203 HD Annotated Mild CCO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@@H]1CN ZINC000217110253 HD Annotated Mild CCO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@H]1CN ZINC000217110272 HD Annotated Mild CO/N=C1/CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@@H]1CN ZINC000217110353 HD Annotated Mild CO/N=C1/CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@H]1CN ZINC000217110378 HD Annotated Mild CCO/N=C1/CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@@H]1CN ZINC000217114778 HD Annotated Mild CCO/N=C1/CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@H]1CN ZINC000217114799 HD Annotated Mild CCNc1nc2ccc(C#C[C@@](C)(O)c3cc(C)on3)cc2n1-c1ncnc(N)n1 ZINC000218860109 HD Annotated Mild CCS(=O)(=O)c1ccc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1COC)CC2(C)C ZINC000219007445 HD Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@@](C)(c2ccccn2)c2ccc(C#N)cc21 ZINC000219008958 HD Annotated Mild COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@](C)(c2ccccn2)c2ccc(C#N)cc21 ZINC000219009043 HD Annotated Mild COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(-c3cnn(C)c3)cc21 ZINC000219018027 HD Annotated Anodyne CCOCc1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000219297029 HD Annotated Mild N#C[C@H](Cc1ccc(N2CCN3CCC[C@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219298545 HD Annotated Mild CN1CC[C@H]2CN(c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)C[C@@H]21 ZINC000219313790 HD Annotated Mild CN1CC[C@@H]2CN(c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)C[C@@H]21 ZINC000219313823 HD Annotated Mild CN1C[C@@H]2CC[C@H](C1)N2c1ccc(C[C@@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 ZINC000219318380 HD Annotated Mild N#C[C@H](Cc1ccc(N2CCN(C3CC3)CC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219319706 HD Annotated Mild COCCN1CC[C@H](c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)C1 ZINC000219322845 HD Annotated Mild COCCN1CC[C@@H](c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)C1 ZINC000219322872 HD Annotated Mild N#C[C@H](Cc1ccc(N2CC[C@@H]3COC[C@@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219322915 HD Annotated Mild N#C[C@H](Cc1ccc(N2CC[C@H]3COC[C@@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219322941 HD Annotated Mild CN(C)C(=O)c1cnn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)c1 ZINC000219324397 HD Annotated Mild C[C@H](O)Cc1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000219324845 HD Annotated Mild C[C@@H](O)Cc1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)nn1 ZINC000219324873 HD Annotated Mild CN1[C@H]2CC[C@H]1CN(c1ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c1)C2 ZINC000219325586 HD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(CC#N)on1 ZINC000219415241 HD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1cc(CC#N)on1 ZINC000219415314 HD Annotated Mild CN(C)C(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000219425194 HD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CC[C@@H](C#N)C3)n1CCO2 ZINC000219430927 HD Annotated Mild Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#C[C@]3(O)CCN(C)C3=O)cc1-2 ZINC000219448173 HD Annotated Mild CC(C)NC(=O)[C@@H]1Cn2cc(C(N)=O)nc2-c2cc(C#CC3(O)CCCC3)ccc2O1 ZINC000219448291 HD Annotated Mild Cc1nc([C@](O)(C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)CF)no1 ZINC000219453650 HD Annotated Mild Cc1nc([C@@](O)(C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)CF)no1 ZINC000219453716 HD Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](O)CO3)no1 ZINC000219454514 HD Annotated Mild CC(C)NC(=O)[C@H]1Cn2cc(C(N)=O)nc2-c2cc(C#CC3(O)CCCC3)ccc2O1 ZINC000219454869 HD Annotated Mild CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C(F)(F)CO3)C1=O ZINC000219464079 HD Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CN3CC[C@H](C#N)C3)n1CCO2 ZINC000219464340 HD Annotated Mild C[C@@H]1COc2ccc(C#C[C@]3(O)CCCN(C)C3=O)cc2-c2nc(C(N)=O)sc21 ZINC000219468818 HD Annotated Mild CN1CC[C@](O)(C#Cc2cc3c(cc2F)C2CC(C2)c2c-3nc(C(N)=O)n2C)C1=O ZINC000219470308 HD Annotated Mild C[C@H]1COc2ccc(C#C[C@]3(O)CCCN(C)C3=O)cc2-c2nc(C(N)=O)sc21 ZINC000219472353 HD Annotated Mild NC(=O)c1nc2n(c1C1CC1)C1CC(C1)c1cc(F)c(C#C[C@]3(O)CCNC3=O)cc1-2 ZINC000219472458 HD Annotated Mild Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#C[C@@]3(O)CCN(C)C3=O)cc1-2 ZINC000219474552 HD Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)C2CC(C2)c2c-3nc(C(N)=O)n2C)C1=O ZINC000219475266 HD Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](O)CO3)no1 ZINC000219476403 HD Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](O)CO3)no1 ZINC000219479527 HD Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C1(O)COC1 ZINC000219485724 HD Annotated Mild CN(C)C(=O)[C@@H]1Cn2cc(C(N)=O)nc2-c2cc(C#CC3(O)CCCC3)ccc2O1 ZINC000219489561 HD Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@](C)(O)CO3)no1 ZINC000219489878 HD Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@](C)(O)CO3)no1 ZINC000219489963 HD Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@H](CF)O3)no1 ZINC000219494671 HD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccc(F)cn1 ZINC000219496268 HD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccc(F)cn1 ZINC000219496338 HD Annotated Mild CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCCc2cc(C(N)=O)sc2-3)C1=O ZINC000219497741 HD Annotated Mild CN(C)C(=O)[C@H]1Cn2cc(C(N)=O)nc2-c2cc(C#CC3(O)CCCC3)ccc2O1 ZINC000219501968 HD Annotated Mild NC(=O)c1nc2n(c1C1CC1)C1CC(C1)c1cc(F)c(C#C[C@@]3(O)CCNC3=O)cc1-2 ZINC000219502926 HD Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@](C)(O)CO3)no1 ZINC000219506434 HD Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@](C)(O)CO3)no1 ZINC000219506510 HD Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@@H](CF)O3)no1 ZINC000219516362 HD Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](O)CO3)no1 ZINC000219518887 HD Annotated Mild Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)no1 ZINC000219535562 HD Annotated Mild Cc1nc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)no1 ZINC000219536516 HD Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCC3)cc1-2 ZINC000219549999 HD Annotated Mild Cc1nc([C@](C)(O)C#Cc2cc3c(cc2Cl)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000219604819 HD Annotated Mild Cc1nc([C@@](C)(O)C#Cc2cc3c(cc2Cl)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000219604887 HD Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#C[C@]3(O)CCc4cccnc43)c(F)cc1OCC2 ZINC000219606872 HD Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#C[C@@]3(O)CCc4cccnc43)c(F)cc1OCC2 ZINC000219606953 HD Annotated Mild CC(C)S(=O)(=O)c1cc2c(cc1F)C(C)(C)CN2C(=O)CN1CCN[C@H](C)C1 ZINC000219833947 HD Annotated Anodyne CCN1CCN(C)C[C@@H](NC(=O)c2cc(Br)c(NC)nc2OC)C1 ZINC000022448624 HD Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(C#CCO)ccc1-2 ZINC000220165832 HD Annotated Mild O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(C#CCO)ccc1-2 ZINC000220165906 HD Annotated Mild Cc1nn(-c2nc(Nc3ccc4c(cnn4C)c3)ncc2F)cc1CN1CC(O)C1 ZINC000220173064 HD Annotated Anodyne COCCOc1cc2c(C)c(CCC(=O)NCCN(C)C)c(=O)oc2c(C=O)c1O ZINC000220395426 HD Annotated Anodyne COCCOc1cc(O)c(C=O)c2oc(=O)c(CCC(=O)N3CCOCC3)c(C)c12 ZINC000220403867 HD Annotated Anodyne COCc1c(CCC(=O)N2CCOCC2)c(=O)oc2c(C=O)c(O)c(OC)cc12 ZINC000220420692 HD Annotated Anodyne COCCNC(=O)CCc1c(C)c2c(OCCOC)cc(O)c(C=O)c2oc1=O ZINC000220422794 HD Annotated Anodyne COCCNC(=O)CCc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O ZINC000220423350 HD Annotated Anodyne C=CC(=O)N1C[C@H](O)[C@@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)C1 ZINC000220428756 HD Annotated Anodyne COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4nc(C(=O)O)co4)CC3)c2c1 ZINC000220767191 HD Annotated Anodyne Cc1nc(N2CCc3c(ccc(O)c3C=O)C2)sc1C(=O)N1CCN(C)CC1 ZINC000221061965 HD Annotated Anodyne CS(=O)(=O)N[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@H](C#N)C1 ZINC000221141045 HD Annotated Mild CS(=O)(=O)N[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@H](C#N)C1 ZINC000221141157 HD Annotated Mild Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCN(C4CCC4)CC3)n2)cn1 ZINC000221157935 HD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4CC(F)(F)C[C@H]4C3)n2)cn1 ZINC000221174932 HD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4(CCC4(F)F)C3)n2)cn1 ZINC000221175180 HD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4CCC(F)(F)[C@H]4C3)n2)cn1 ZINC000221175259 HD Annotated Anodyne CC(C)(O)CN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1 ZINC000221190013 HD Annotated Anodyne COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)nc2)nc(N2CC3CC2C3)n1 ZINC000221190091 HD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCN(CC4CC4)CC3)n2)cn1 ZINC000221230837 HD Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cc(F)c(S(=O)(=O)C4CC4)cc32)CCN1 ZINC000221249398 HD Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC2(CN(C(C)=O)C2)c2ccc(Cl)cc21 ZINC000221250082 HD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC(F)C3)n2)cc1OC(F)F ZINC000221359478 HD Annotated Anodyne O=C(CCCN1C(=O)c2ccccc2C1=O)c1ccn(-c2ccc3c(c2)B(O)OC3)c1 ZINC000221695547 HD Annotated Unstable N#C[C@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc3c(c2)[C@H](O)CS3(=O)=O)n1 ZINC000221817896 HD Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc3c(c2)[C@H](O)CS3(=O)=O)n1 ZINC000221817950 HD Annotated Mild CS(=O)(=O)N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000221845681 HD Annotated Mild CS(=O)(=O)c1ccc(Nc2nn([C@H]3CC[C@@H](O)C[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221849100 HD Annotated Mild COc1cc(C(N)N)ccc1OCCOCCOc1ccc(C(N)N)cc1OC ZINC000222319521 HD Annotated Anodyne CC(C)n1c(CO)nc2cnc(Nc3ccnc(N4CC[C@H](O)[C@H](F)C4)n3)cc21 ZINC000222768914 HD Annotated Anodyne CN(C)C/C=C/C(=O)N1CC[C@H](n2nc(C#Cc3cccnc3)c3c(N)ncnc32)C1 ZINC000222800277 HD Annotated Mild C=CC(=O)N1CC(Cn2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1 ZINC000222804062 HD Annotated Mild N#C[C@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc3c(c2)[C@@H](O)CS3(=O)=O)n1 ZINC000222972483 HD Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc3c(c2)[C@@H](O)CS3(=O)=O)n1 ZINC000222972542 HD Annotated Mild CS(=O)(=O)N[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000222983088 HD Annotated Mild Nc1nc(OCc2cccc(CNC(=O)N(CCCl)N=O)c2)c2[nH]cnc2n1 ZINC000223192092 HD Annotated Reactive C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@](C)(O)[C@H](OC(=O)/C(C)=C\C)[C@@H](OC(C)=O)[C@@H]12 ZINC000223577814 HD Annotated Mild CN(C)CC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1 ZINC000223681822 HD Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CN3CCNCC3)c2F)cn1 ZINC000224554015 HD Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CN3CCNCC3)c2F)cn1 ZINC000224554065 HD Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CN3CC[C@H](O)C3)c2F)cn1 ZINC000224557249 HD Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CN3CC[C@H](O)C3)c2F)cn1 ZINC000224557290 HD Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CN3CCNC3=O)c2F)cn1 ZINC000224564630 HD Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CN3CCNC3=O)c2F)cn1 ZINC000224564676 HD Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)NCCO)cc2F)cn1 ZINC000224724254 HD Annotated Anodyne C[C@@H](O)CNS(=O)(=O)c1ccccc1-c1cnc(-c2cnc(N)nc2)c(F)c1 ZINC000224736227 HD Annotated Anodyne N#Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)NCCO)cc2F)cnc1N ZINC000224752380 HD Annotated Mild Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC[C@H](O)CO)cc2F)cn1 ZINC000224758239 HD Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC[C@@H](O)CO)cc2F)cn1 ZINC000224758419 HD Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC(O)C3)cc2F)cn1 ZINC000224769718 HD Annotated Anodyne CS(=O)(=O)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224785928 HD Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC(O)C3)cc2F)cn1 ZINC000224821639 HD Annotated Anodyne N#Cc1nc(N)cnc1-c1ccc(-c2ccccc2S(=O)(=O)NCCO)cc1F ZINC000224833353 HD Annotated Mild CCNc1nc(OC)c(C(=O)N[C@@H]2CN(C)CCN(CC)C2)cc1Br ZINC000022928184 HD Annotated Anodyne CCNc1nc(OC)c(C(=O)N[C@H]2CN(C)CCN(CC)C2)cc1Br ZINC000022928189 HD Annotated Anodyne CCOc1nc(NC)c(Br)cc1C(=O)N[C@@H]1CN(C)CCN(CC)C1 ZINC000022928192 HD Annotated Anodyne CCOc1nc(NC)c(Br)cc1C(=O)N[C@H]1CN(C)CCN(CC)C1 ZINC000022928196 HD Annotated Anodyne Nc1nc(N)c2nc(CN3CCN(Cc4ccc5ccccc5c4)CC3)nnc2n1 ZINC000022930683 HD Annotated Anodyne CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(C#CCOC)cc2)cc1 ZINC000225121487 HD Annotated Mild CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(C#CCOC)cc2)cc1 ZINC000225121532 HD Annotated Mild CNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(ccn3C)c2)cc1 ZINC000225161012 HD Annotated Bother C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C[C@H](C)/C=C\C(=O)[C@@](C)(O)[C@@H]1OC(C)=O ZINC000225784399 HD Annotated Mild CN1CCC(Oc2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC1 ZINC000226088295 HD Annotated Mild CCN(CC)CCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227270589 HD Annotated Anodyne CCN(CC)CCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227270595 HD Annotated Anodyne CC(C)S(=O)(=O)c1ncc(CN2CCCN(C=O)CC2)n1Cc1ccccc1F ZINC000023128475 HD Annotated Anodyne Cc1c[nH]c(CN(C)C(=O)CCCn2nnnc2CN2CCc3ccccc3C2)n1 ZINC000023251155 HD Annotated Anodyne O=C(CCCn1nnnc1CN1CCOCC1)N[C@@H](c1ccco1)C(F)(F)F ZINC000023340088 HD Annotated Anodyne O=C(CCCn1nnnc1CN1CCOCC1)N[C@H](c1ccco1)C(F)(F)F ZINC000023340090 HD Annotated Anodyne Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](NCC(C)(C)N1CCOCC1)C2 ZINC000023353440 HD Annotated Anodyne Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NCC(C)(C)N1CCOCC1)C2 ZINC000023353442 HD Annotated Anodyne O=C(NCCc1cnccn1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000023359696 HD Annotated Anodyne C[C@H]1CN(C[C@H](O)CN2CCC[C@@H](C)C2)CCN1C[C@@H](O)CN1CCC[C@@H](C)C1 ZINC000023480168 HD Annotated Anodyne C[C@H]1CCCN(C[C@@H](O)CN2CCN(C[C@@H](O)CN3CCC[C@@H](C)C3)[C@@H](C)C2)C1 ZINC000023480169 HD Annotated Anodyne CC(=O)O[C@@H]1[C@H](Oc2ccc(CC#N)cc2)O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000230074015 HD Annotated Mild in-man CC(=O)O[C@@H]1[C@H](Oc2ccc(CC#N)cc2)O[C@H](C)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000230074020 HD Annotated Mild in-man CC(=O)O[C@@H]1[C@H](Oc2ccc(CC#N)cc2)O[C@@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000230074025 HD Annotated Mild in-man CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2ccc(CC#N)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000230074032 HD Annotated Mild in-man COc1cc(=O)oc(/C=C\C=C/C=C\[C@@]2(C)O[C@@]3(C)[C@@H](O)O[C@@](C)([C@@H]3O)[C@@H]2O)c1C ZINC000230082255 HD Annotated Anodyne in-man COc1cc(=O)oc(/C=C\C=C/C=C\[C@]2(C)O[C@@]3(C)[C@@H](O)O[C@@](C)([C@@H]3O)[C@@H]2O)c1C ZINC000230082261 HD Annotated Anodyne in-man COc1cc(=O)oc(/C=C\C=C/C=C\[C@@]2(C)O[C@]3(C)[C@@H](O)O[C@@](C)([C@@H]3O)[C@@H]2O)c1C ZINC000230082265 HD Annotated Anodyne in-man COc1cc(=O)oc(/C=C\C=C/C=C\[C@]2(C)O[C@]3(C)[C@@H](O)O[C@@](C)([C@@H]3O)[C@@H]2O)c1C ZINC000230082270 HD Annotated Anodyne in-man CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@@H](C)Cl)[C@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@@]2(O)OC1=O ZINC000230086118 HD Annotated Reactive in-man CC1=C2[C@H](OC(=O)[C@@](C)(O)[C@@H](C)Cl)[C@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@@]2(O)OC1=O ZINC000230086121 HD Annotated Reactive in-man CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@@]2(O)OC1=O ZINC000230086125 HD Annotated Reactive in-man CC1=C2[C@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@@]2(O)OC1=O ZINC000230086129 HD Annotated Reactive in-man CC(=O)O[C@@H]1[C@@H](C)CC[C@@]2(O)[C@@]3(C)CC(=O)O[C@@]12[C@@]1(O)C(C)=C(C(C)C)C[C@@]31O ZINC000230087838 HD Annotated Anodyne in-man CC(=O)O[C@@H]1[C@H](C)CC[C@@]2(O)[C@@]3(C)CC(=O)O[C@@]12[C@@]1(O)C(C)=C(C(C)C)C[C@@]31O ZINC000230087847 HD Annotated Anodyne in-man COc1ccc2c3c([nH]c2c1)[C@@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@]1(O)[C@@H]3O ZINC000230093586 HD Annotated Anodyne in-man COc1ccc2c3c([nH]c2c1)[C@@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@]1(O)[C@H]3O ZINC000230093589 HD Annotated Anodyne in-man COc1ccc2c3c([nH]c2c1)[C@@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@@]1(O)[C@H]3O ZINC000230093596 HD Annotated Anodyne in-man C=C1C(=O)O[C@@H]2C[C@H](CO)C(=O)C[C@@H](OC)[C@@](C)(OC)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000230095357 HD Annotated Mild in-man C=C1C(=O)O[C@@H]2/C=C(\CO)[C@@]3(OC)C[C@@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000230095614 HD Annotated Mild in-man C=C1C(=O)O[C@H]2/C=C(\CO)[C@@]3(OC)C[C@@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000230095623 HD Annotated Mild in-man COc1c2c(cc3c1OCO3)[C@@]13CCN(C2)[C@H]1CC[C@H](OC(C)=O)[C@@H]3OC(C)=O ZINC000238730842 HD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238731065 HD Annotated Mild CCC[C@H](C)/C=C/C(=O)[C@](C)(O)CC[C@H](O)[C@](C)(O)[C@H](O)C[C@H](O)[C@](C)(O)CC ZINC000238731318 HD Annotated Mild COc1ccc2c(c1)[C@@]13CCN(C)C[C@@]45O[C@@H]4CO[C@@H]4CC(=O)N2[C@H]1[C@H]4[C@H]5CC3=O ZINC000238731740 HD Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1C[C@]2(C)O[C@@](O)(C[C@@H]2O)/C(C)=C\[C@H]2OC(=O)[C@]3(CCN=N3)[C@@H]21 ZINC000238731769 HD Annotated Anodyne COC(=O)[C@@H]1c2c(O)c3c(c(O)c2[C@@H](O)C[C@@]1(C)O)C(=O)[C@@H]1C(O)=CC=C[C@H]1C3=O ZINC000238731881 HD Annotated Clean CC(=O)O[C@H]1C(=O)C[C@H]2[C@]3(CC[C@](C)(O)[C@]2(C)CC2=C(C)C[C@@H](O)O2)COC(=O)[C@H]13 ZINC000238731914 HD Annotated Anodyne Cc1c(O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc2c1O/C(=C\c1ccc(O)cc1)C2=O ZINC000238732016 HD Annotated Mild C/C=C(/C=C(C)/C=C/C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000238732165 HD Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238732192 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H](C)[C@@H]3[C@H](O)CC(=O)[C@@]3(C)[C@@H](OC(=O)[C@H](C)CC)[C@H]1[C@@H]2OC(C)=O ZINC000238732197 HD Annotated Mild C=C(C)C(=O)O[C@@H]1C[C@H](C)C(=O)CC[C@@](C)(O)/C=C2\OC(=O)C(COC(C)=O)=C21 ZINC000238732624 HD Annotated Mild C=C1C(=O)[C@@]23[C@H]4[C@H](C[C@@H]1[C@H]2O)OC(C)(C)O[C@H]1CCC(C)(C)[C@H]2[C@H](O)[C@@]3(O)OC[C@]142 ZINC000238732706 HD Annotated Mild C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)[C@@H](O)[C@@H]1C(=C)[C@@](C)(OC(C)=O)CC[C@]21C ZINC000238732716 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(=C/COC(C)=O)CO)[C@@H]12 ZINC000238732732 HD Annotated Mild CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@H](C)[C@H](OC(C)=O)CC[C@]3(C)O[C@H]3[C@@H]2OC1=O ZINC000238732993 HD Annotated Anodyne C=C1C(=O)O[C@H]2C[C@H](CO)C(=O)C[C@H](OC)[C@](C)(OC)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238733187 HD Annotated Mild CCCCCCCCC/C=C\C(=O)N[C@H]1C[C@@]2(O)C(=O)[C@H]([C@H](OC)[C@@H]3O[C@@H]32)[C@H]1O ZINC000238733225 HD Annotated Mild COC(=O)[C@@]12O[C@@H]1[C@@H]1C[C@@H]3[C@]2(C(=O)O1)[C@H]1C[C@]2(O[C@@H](c4ccoc4)C[C@@]32C)C(=O)O1 ZINC000238733267 HD Annotated Anodyne CC1=CC(=O)C[C@@](C)(COC(=O)C[C@](C)(O)CC(=O)O)[C@@]1(O)/C=C/C(C)=C\C(=O)O ZINC000238733365 HD Annotated Mild CC/C=C/[C@H]1O[C@@H]1C1=C(C)C(=O)[C@@]2(O1)C(=O)N[C@](OC)(C(=O)c1ccccc1)[C@@H]2O ZINC000238733437 HD Annotated Mild C=CC(C)(C)[C@@]12C[C@@]3(O)C(=O)N/C(=C/c4cnc[nH]4)C(=O)N3[C@@H]1Nc1ccccc12 ZINC000238733468 HD Annotated Mild COC(=O)c1c(COC(=O)c2c(C)cc(O)c(C=O)c2O)cc(O)c(C=O)c1O ZINC000238733471 HD Annotated Anodyne C=C1C[C@H](OC(=O)[C@]2(C)CO2)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](OC(C)=O)[C@]21CO1 ZINC000238733567 HD Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@]23O[C@@H]2C[C@H](OC(C)=O)[C@H](C)[C@@]13C ZINC000238733668 HD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)COC(C)=O)C[C@@](C)(O)[C@@H]1CC=C(C)[C@H]21 ZINC000238733799 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)C[C@@H](OC(=O)[C@](O)(CO)[C@H](C)S)[C@@H]12 ZINC000238733818 HD Annotated Mild C/C(=C\[C@H](O)C[C@](C)(O)[C@@H](O)COc1c2ccoc2cc2oc(=O)ccc12)C(=O)O ZINC000238733829 HD Annotated Anodyne C=C1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@@H]1CC[C@@]2(C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000238734035 HD Annotated Mild Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(CO)[C@]12O)C[C@@H](C)[C@@H]3O ZINC000238734215 HD Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5c4ccc(OC)c5O)[C@@H]3C[C@H]12 ZINC000238734284 HD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(=O)[C@@]1(C)O[C@@H]1C)C(C)=C1CC=C(C)[C@@]12O ZINC000238734415 HD Annotated Mild CC(=O)O[C@H]1CC=C(C=O)[C@](C)([C@H](OC(=O)C(C)C)C2=C(C)C(=O)O[C@@H]2O)[C@H]1C ZINC000238734702 HD Annotated Reactive N[C@@H](CCCCN1CCCC[C@@H]1c1ccc[n+](CCCC[C@H](N)C(=O)O)c1)C(=O)O ZINC000238734717 HD Annotated Anodyne C/C=C(/C(=O)OC)[C@@H]1C[C@H]2OC(=O)[C@]1(C=O)[C@@]13CCN(C)[C@@]21N(C)c1ccccc13 ZINC000238734761 HD Annotated Mild C=C1[C@H](O)[C@H]2[C@@H](CC[C@]3(COC(C)=O)O[C@H]3[C@H](OC(C)=O)[C@@H]1OC(C)=O)C2(C)C ZINC000238734871 HD Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@H]2[C@@H](COC)C(=O)O[C@@H]2[C@@H]2[C@H]3CC[C@]2(C)OC(=O)[C@H]3[C@H]1O ZINC000238734881 HD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C2=C(C)[C@H]3C[C@@]4(CO)C(=O)O[C@H]5CC[C@H](C)[C@]1(C)[C@@]5(O)C[C@@]24O3 ZINC000238734894 HD Annotated Mild CCC(=O)C(=O)O[C@H]1C[C@H]2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000238734902 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(CO)\C=C/[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C=C(\C)COC(C)=O)[C@@H]12 ZINC000238735246 HD Annotated Mild CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@H]1[C@@H]1[C@H](CC[C@@]23CO3)[C@]1(C)COC(C)=O ZINC000238735344 HD Annotated Anodyne CC(=O)Oc1c(-c2ccc(O)cc2)c(O)c2oc3c(c2c1OC(C)=O)=CC(=O)C(=O)C=3 ZINC000238735429 HD Annotated Clean CC[C@H]1[C@H]2[C@H](O[C@]13C=C(C)C(=O)O3)C(=O)CCN1[C@H]([C@@H]3C[C@H](C)C(=O)O3)CC[C@H]21 ZINC000238735579 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]3C(CO)=CC(=O)C3=C(C)C[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12 ZINC000238735741 HD Annotated Mild C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(O)=C/CO)CC(=C)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@H]21 ZINC000238736495 HD Annotated Mild C=C(C)C(=O)O[C@H]1C[C@]2(C)O[C@@H]2CC[C@@](C)(O)/C=C2/OC(=O)C(COC(C)=O)=C21 ZINC000238736653 HD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@@H](OC(=O)CC(C)C)[C@@](C)(O)[C@H]1[C@H](OC(C)=O)C=C(C)[C@H]21 ZINC000238736876 HD Annotated Mild CC(=O)O[C@@]1(C)C(=O)[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CO[C@@H](O)C1)O2 ZINC000238736912 HD Annotated Anodyne O=C(C[C@@H]1CNCC[C@H]1O)Cn1cnc2cc(Cl)c(Br)cc2c1=O ZINC000238737021 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(CO)=C\[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238737270 HD Annotated Mild CN1C[C@@H]2C[C@H](C1)CN1C(=O)C[C@@H](c3ccc4n(c3=O)C[C@@H]3C[C@H]4CN(C)C3)C=C21 ZINC000238737281 HD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@H]2O[C@]23C[C@]2(O)OC(=O)C(C)=C2[C@@H](OC(C)=O)[C@]3(C)[C@H]1C ZINC000238737304 HD Annotated Anodyne CC(=O)O[C@H]1C2=C(C(=O)[C@]3(C)C(=O)C[C@](C)(O)[C@H]23)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O ZINC000238737313 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)[C@]3(O)C=C[C@](C)(C[C@H](OC(=O)/C(=C\C)COC(C)=O)[C@H]12)O3 ZINC000238737459 HD Annotated Mild CC[C@@H]1[C@H]2OC(=O)[C@H](C)[C@H]2C(=O)C[C@H]([C@H]2C[C@@H](C)C(=O)O2)N2CCCC[C@]1(O)C2=O ZINC000238737479 HD Annotated Anodyne CC(=O)OC[C@@]12C=COC=C(COC(=O)C(C)C)[C@@H]1CC1=C(CO)C(=O)O[C@H]1C2 ZINC000238737482 HD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(=O)[C@@]1(C)O[C@@H]1C)C(C)=C1C=C[C@](C)(O)[C@@H]12 ZINC000238737689 HD Annotated Mild C=C[C@]1(COC(C)=O)C[C@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)COC(C)=O ZINC000238737692 HD Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@@H](O)CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238737773 HD Annotated Anodyne C=C1C(=O)[C@@]23C[C@H]1C[C@H]1O[C@@H]4OC[C@]5([C@H](CC[C@@](C)(COC(C)=O)[C@@H]45)OC2=O)[C@H]13 ZINC000238737947 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3[C@]4(CC[C@H](OC(=O)/C(C)=C\COC(C)=O)[C@]3(C)C[C@H](O)[C@@H]12)CO4 ZINC000238738103 HD Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238738162 HD Annotated Mild C[C@@H]1C[C@@H](OC(=O)c2ccccc2)[C@@]2(O)[C@]13CC(=O)OC[C@]2(C)[C@@](C)(O)[C@H](O)C3 ZINC000238738307 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(C)=O)[C@@]1(C)[C@H](C[C@H]2O)[C@@H](OC(=O)/C(C)=C\C)C[C@H]1O ZINC000238738332 HD Annotated Mild C=C1C(=O)O[C@H]2C[C@H](CO)[C@]3(O)C[C@@H](OC)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000238738354 HD Annotated Mild CO[C@H]1C2=C(C(=O)C3=C(C[C@@H](O)[C@H](OC)O3)C2=O)[C@@]2(C)CCC(C)=C(C)[C@H]2[C@@H]1O ZINC000238738400 HD Annotated Mild C=C1C(=O)O[C@H]2C/C(COC(C)=O)=C/CC/C(CO)=C/[C@@H](OC(=O)[C@H](C)[C@H](C)O)[C@H]12 ZINC000238738431 HD Annotated Mild CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2ccc(CC#N)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238738894 HD Annotated Mild CC(=O)O[C@@H]1C(=O)[C@@H]2[C@@]3(C)C(=O)[C@@H](O)C[C@@H](C)[C@@H]3C[C@H]3OC(=O)C[C@@H]([C@H]1C)[C@@]23C ZINC000238738989 HD Annotated Anodyne C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)C(=O)O[C@@](C)([C@H](C)O)[C@H]1OC(C)=O ZINC000238739047 HD Annotated Mild C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)[C@]1(C)C(=O)C[C@@H](O)[C@H]1[C@H](C)[C@H]2OC(C)=O ZINC000238739057 HD Annotated Mild C=C1C(=O)O[C@H]2[C@H]3C(C)=C[C@@H](OC(C)=O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)/C(C)=C\CO)[C@@H]12 ZINC000238739212 HD Annotated Mild C=C(C)C(=O)O[C@@H]1CC(=C)C(=O)CC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238739434 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)[C@H](OC(C)=O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\CO)[C@@H]12 ZINC000238739477 HD Annotated Mild C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H]2C(=O)N[C@H]1c1nc3ccccc3c(=O)n12 ZINC000238739559 HD Annotated Anodyne C=C1C[C@H]2OC(=O)C3=C[C@@H](O)C[C@@H]4[C@@]1(C[C@@H](OC(C)=O)c1ccoc1)[C@@H](O)OC[C@]342 ZINC000238739711 HD Annotated Mild CC(=O)O[C@@H]1[C@@H](O)C2=C(C(=O)[C@H](O)[C@@]3(C[C@@H]3C)C2=O)[C@@]2(C)CC(=O)C(C)=C(C)[C@H]12 ZINC000238739965 HD Annotated Mild COC(=O)C1=CO[C@H](C)[C@@H]([C@@H](O)OC)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1 ZINC000238739986 HD Annotated Clean CC(=O)OC[C@@]12[C@@H](O)C(=O)[C@@H](C)[C@](C)(CCc3ccoc3)[C@@]1(O)CC[C@H](O)[C@]21CO1 ZINC000238740016 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)[C@@H](O)/C=C(\C)C[C@@H](OC(=O)/C(C)=C\COC(C)=O)[C@@H]12 ZINC000238740144 HD Annotated Mild C[C@H](O)[C@@H](O)/C=C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(CO)CC[C@]3(C)[C@]1(C)[C@]21CO1 ZINC000238740193 HD Annotated Anodyne CC(=O)OCC1=C2[C@H](OC1=O)[C@@H](OC(C)=O)[C@H](C)CCC[C@@]1(C)O[C@@H]1[C@H]2OC(C)=O ZINC000238740228 HD Annotated Anodyne CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)[C@@H]2C(O)=CC=C[C@H]2C3=O)[C@H]1C(=O)OC ZINC000238740496 HD Annotated Clean C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)[C@H](O)/C=C(\C)C[C@@H](OC(=O)/C(=C\C)COC(C)=O)[C@@H]12 ZINC000238740792 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\COC(=O)[C@H](C)[C@H](C)O)C[C@H](OC(C)=O)[C@@H]12 ZINC000238740798 HD Annotated Mild CC[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@]2(O)C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@]12C3=O ZINC000238740883 HD Annotated Anodyne C/C=C(\CO)C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2/C=C\C(C)=C/[C@H]2OC(=O)[C@](O)(CCl)[C@H]21 ZINC000238740902 HD Annotated Reactive C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(OC)CC[C@@](C)(/C=C3/OC(=O)C(COC)=C31)O2 ZINC000238741017 HD Annotated Mild C=C(CO)C(=O)O[C@H]1C[C@@H](C)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238741186 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(COC(C)=O)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12 ZINC000238741210 HD Annotated Mild C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@@]2(O)[C@]13CC(=O)O[C@H](C3)[C@](C)(O)[C@@]2(C)CO ZINC000238741272 HD Annotated Anodyne CC(=O)O[C@@]1(C)C(=O)[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 ZINC000238741415 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)[C@@]1(C)[C@@H]([C@@H](OC(=O)[C@H](C)CC)C[C@H]1OC(C)=O)[C@H](C)[C@H]2O ZINC000238741510 HD Annotated Mild C=C[C@]1(C)CC(=O)[C@H]2[C@]3(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@H]3C[C@H](O)[C@]2(O)C1=O ZINC000238742195 HD Annotated Mild CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(O[C@H]1O)[C@H]1O[C@H]1[C@@H](O)[C@H]1O[C@H]12 ZINC000238742488 HD Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)(C)[C@H]2C=C3[C@@H](CO)CCC[C@]3(C)CC2)OC[C@@H](O)[C@@H]1O ZINC000238742516 HD Annotated Anodyne CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000238742945 HD Annotated Mild COc1cccc2c1N1C(=O)C[C@H]3OC[C@H]4O[C@]45CN(C)CC[C@]24C(=O)C[C@@H]5[C@@H]3[C@H]14 ZINC000238743103 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)[C@@]1(C)[C@@H]([C@@H](OC(=O)CC(C)C)C[C@H]1OC(C)=O)[C@H](C)[C@H]2O ZINC000238743114 HD Annotated Mild CC(=O)O[C@]1(C)C(=O)COC2=CC[N+]3(C)CC[C@H](OC(=O)[C@]4(C[C@@H]1C)O[C@@H]4C)[C@H]2O3 ZINC000238743413 HD Annotated Bother C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC[C@@]3(C)O[C@@]23[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238743521 HD Annotated Anodyne CC[C@@H](O)C(=O)O[C@H]1C[C@H]2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000238743670 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)C[C@@H](OC(=O)[C@@](O)(CO)[C@H](C)S)[C@H]12 ZINC000238744235 HD Annotated Mild CC(=O)O[C@@H]1C[C@@H](C)[C@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@@H]2CC[C@H](O)[C@]31CO1 ZINC000238744280 HD Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2C[C@H](O)C(C)(C)[C@H]4[C@H](O)OC[C@]234)[C@@H]1OC(C)=O ZINC000238744309 HD Annotated Mild COc1cc([C@@H]2Oc3c(O)cc(CCCO)cc3[C@H]2CO)ccc1OC(CO)CO ZINC000238744451 HD Annotated Anodyne COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@@H]3CO[C@H](C)[C@@H]4CN5CC[C@]21[C@]5(O)C[C@@H]43 ZINC000238744474 HD Annotated Anodyne CC(=O)OC1=C2CCOC3=C2C2=C1[C@]1(O)C[C@@]4(O)N(C[C@@H](CC3)[C@@]24C)C[C@@H](C)C1=O ZINC000238744493 HD Annotated Anodyne CC[C@H](N)[C@H](O)[C@H](O)[C@@H](C)C(=O)N[C@H](CC(C)C)[C@H]1Cc2cccc(O)c2C(=O)O1 ZINC000238744618 HD Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CC[C@]21Nc2ccc(OC)cc2C1=O)C3 ZINC000238745009 HD Annotated Anodyne C/C=C1/CN(CC[C@]2(O)C(=O)Nc3ccccc32)C(=O)C[C@H]1/C(=C/OC)C(=O)OC ZINC000238745175 HD Annotated Anodyne COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3COC4=C(C(=O)OC4)[C@@H]3C[C@H]3N(C)CC[C@]213 ZINC000238745319 HD Annotated Anodyne CC(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)O[C@@H]3O)[C@H]1CC[C@H](O)[C@]21CO1 ZINC000238745781 HD Annotated Anodyne CC(=O)OC[C@@]12[C@@H](O)C[C@]3(C)O[C@]4(c5ccoc5)C[C@]3(C)[C@]1(CCC(=O)[C@]21CO1)O4 ZINC000238745837 HD Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H](CO)[C@]3(OC)C[C@@H](O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000238745935 HD Annotated Mild C=C[C@](C)(O)[C@H]1O[C@@H](O)[C@@]2([C@@H]1OC(C)=O)[C@@H](C)[C@@H](O)C[C@]1(C)C(C)=CC(=O)C[C@H]12 ZINC000238745963 HD Annotated Mild COc1ccc2c(c1)[C@@]13CCN(C)C[C@@]45O[C@H]4CO[C@H]4CC(=O)N2[C@H]1[C@H]4[C@H]5CC3=O ZINC000238746003 HD Annotated Anodyne COC(=O)[C@H](O)[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C(=O)O)[C@@H]4CC1)[C@H]32 ZINC000238746179 HD Annotated Anodyne C/C=C1\CN2[C@@H]3C[C@H]1[C@](O)(CO)[C@H]2C[C@]31C(=O)Nc2c(OC)cc(OC)c(OC)c21 ZINC000238746344 HD Annotated Anodyne C=C1[C@H](O)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)/C(C)=C\C)C[C@]2(C)O[C@@H]2C[C@H]1OC(C)=O ZINC000238746657 HD Annotated Mild CC[C@@H](C)C(=O)O[C@H]1C[C@@](C)(O)[C@]23O[C@H]2C[C@](C)(O)[C@]3(Cl)[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238746744 HD Annotated Anodyne COc1cc(C)c2c(c1C=O)Oc1c(C=O)c(C(=O)O)c(O)c(CO)c1OC2=O ZINC000238746754 HD Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](OC(C)=O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12 ZINC000238747194 HD Annotated Mild COC(=O)c1c(CC=C(C)C)c(O[C@@H]2OC[C@](O)(CO)[C@H]2O)c2ccccc2c1O ZINC000238747418 HD Annotated Anodyne CO[C@@H]1O[C@H](OC/C2=C\[C@H]3OC(=O)[C@@H](C)[C@@H]3CC/C(C)=C/CC2)[C@@H](O)[C@H](O)[C@H]1O ZINC000238747488 HD Annotated Anodyne C=C1[C@@H]2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)[C@@H]1OC(=O)/C(=C/C)COC(C)=O ZINC000238747578 HD Annotated Mild CC(C)C[C@H](N)[C@H](O)[C@@H](O)C(=O)N[C@H](CC(C)C)[C@H]1Cc2cccc(O)c2C(=O)O1 ZINC000238747694 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3C(CO)=CC(=O)C3=C(C)C[C@H](OC(=O)Cc3ccc(O)cc3)[C@H]12 ZINC000238748059 HD Annotated Mild C[C@@H]1C[C@H](O)[C@@]2(O)[C@]13CC(=O)O[C@H](C3)[C@](C)(O)[C@@]2(C)COC(=O)c1ccccc1 ZINC000238748429 HD Annotated Anodyne COC1=C(OC)C(=O)[C@@]23C(=C1)[C@H](O)[C@@H](C)[C@]2(C)[C@@H](O)c1cc2c(c(OC)c13)OCO2 ZINC000238748584 HD Annotated Mild C/C=C(/C)OC(=O)[C@@H]1CC[N+]2([O-])CC=C(CC(=O)O[C@]3(O)[C@H](C)C(=O)O[C@@H]3C)[C@H]12 ZINC000238748689 HD Annotated Bother C[C@@H](O)[C@@H](O)/C=C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(CO)CC[C@]3(C)[C@]1(C)[C@]21CO1 ZINC000238748761 HD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@](C)(O)C2=CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238748996 HD Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](CO)CC/C=C(/C(=O)OC)[C@H](O)[C@@H](OC(=O)CC(C)C)[C@@H]12 ZINC000238749014 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(/CO)[C@]3(OC)C[C@H](O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000238749061 HD Annotated Mild C/C=C(\C)C(=O)O[C@H]1/C=C(/C)[C@@H](O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238749315 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]3C(COC(=O)Cc4ccc(O)cc4)=CC(=O)C3=C(C)C[C@H](O)[C@@H]12 ZINC000238749467 HD Annotated Mild C=C(C)C(=O)O[C@H]1C[C@]2(C)[C@H]3[C@H](OC(C)=O)C[C@@](C)(O)[C@@H]2[C@]32OC(=O)C(COC)=C12 ZINC000238749508 HD Annotated Mild CC(=O)OCC1=C2[C@@H](OC(=O)C(C)C)C/C(C=O)=C\CC[C@@]3(C)O[C@@H]3[C@@H]2OC1=O ZINC000238749598 HD Annotated Reactive C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/C)COC(C)=O)[C@H](O)C(=C)[C@@H]1C(=O)C=C(C)[C@@H]12 ZINC000238750004 HD Annotated Mild COC(=O)[C@@H]1C[C@@]23CCCN4C(=O)C(=O)[C@]5(c6ccccc6N(C(=O)OC)[C@]15CC2)[C@H]43 ZINC000238750248 HD Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@@H](C)[C@@H]5OCO[C@H]5[C@@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238750339 HD Annotated Mild CON1C(=O)[C@]2(c3ccccc31)[C@H]1[C@H]3[C@H]4CO[C@@H]2C[C@H]4[C@]1([C@@H](C)OC(C)=O)CN3C ZINC000238750583 HD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](O)CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238750732 HD Annotated Mild C=C1C(=O)O[C@H]2[C@H]3C(CO)=CC(=O)C3=C(C)C[C@H](OC(=O)Cc3ccc(O)cc3)[C@H]12 ZINC000238750830 HD Annotated Mild O=C1CCC[C@H]([C@@H]2C[C@@H](CO)[C@@H]3C[C@H](OC(=O)Cc4ccccc4)CCN3C2)N1 ZINC000238751014 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C\C)CO)[C@@H]12 ZINC000238751065 HD Annotated Mild C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(COC(C)=O)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000238751096 HD Annotated Mild C=C(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@H]2CC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238751157 HD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@]1(C)O[C@@H]1C)[C@H](OC(C)=O)C(C)=C1C=C[C@@](C)(O)[C@@H]12 ZINC000238751440 HD Annotated Mild C#C/C=C\C[C@H]1O[C@H]([C@H](CC)OC(C)=O)C[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@H]1O ZINC000238751457 HD Annotated Mild C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@@]2(O)[C@]13CC(=O)OC[C@]2(C)[C@@](C)(O)[C@H](O)C3 ZINC000238751607 HD Annotated Anodyne CC(=O)O[C@@H](C)[C@](C)(O)C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)C=C(C)C)[C@@H]12 ZINC000238751748 HD Annotated Bother C=C1[C@H](O)CC[C@]2(C)CC[C@@H](C(C)(C)O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(C)=O)C[C@@H]12 ZINC000238751830 HD Annotated Mild CC(=O)O[C@@H]1CC[C@@H]2[C@@]3(C)CCc4ccoc4[C@@]3(C)[C@@]3(O)OC[C@]2([C@H]3O)[C@@]12CO2 ZINC000238751919 HD Annotated Anodyne C/C=C(/C(=O)OC)[C@@H]1C[C@H]2OC(=O)[C@]1(CO)[C@@]13CCN(C)[C@@]21N(C)c1ccccc13 ZINC000238752243 HD Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C/C=C(\CO)C[C@@H](OC(=O)/C(=C/C)COC(C)=O)[C@@H]12 ZINC000238752363 HD Annotated Mild CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1C[C@H](O)C[C@]21CO1 ZINC000238752424 HD Annotated Anodyne CC(=O)OC[C@@]12[C@H](CCC(=O)[C@]13CO3)[C@@]1(C[C@@H](c3ccoc3)O[C@@H]1O)[C@H](C)C[C@H]2O ZINC000238752695 HD Annotated Anodyne CC(=O)OC[C@@]12[C@H](CC[C@H](O)[C@]13CO3)[C@@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)C[C@H]2O ZINC000238753035 HD Annotated Anodyne CC(C)(C)c1cc(CO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C)c1O ZINC000238753169 HD Annotated Anodyne CC[C@@H](C)[C@@]1(O)O[C@H]2C[C@]3(C)OC(=CC3=O)/C(COC(C)=O)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000238753318 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3[C@@]4(CC[C@H](OC(=O)/C(C)=C/COC(C)=O)[C@]3(C)C[C@H](O)[C@@H]12)CO4 ZINC000238753460 HD Annotated Mild CC1(C)CCC[C@]23C(=O)O[C@H]([C@@H](C(=O)O)C4=C2C(=O)[C@]2(C)C(=O)C[C@](C)(O)[C@H]42)[C@@H]13 ZINC000238753528 HD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@@H](OC(=O)[C@H](C)CC)[C@@](C)(O)[C@H]1[C@H](OC(C)=O)C=C(C)[C@H]21 ZINC000238753597 HD Annotated Mild COc1ccc2c(c1OC)C(=O)N[C@]2(O)Cc1cc2c(cc1CCN(C)C)OCO2 ZINC000238753800 HD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(COC(C)=O)[C@H](CCC(C)(C)[C@H]1C=O)OC3=O ZINC000238753869 HD Annotated Mild C=C1CC[C@]2(C)C3=C(C(=O)[C@]4(C[C@H]4C)[C@@H](OC(C)=O)C3=O)[C@H](OC=O)[C@@H](O)[C@H]2C1=C ZINC000238753875 HD Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@@H](C=O)[C@@]23COC(C)=O)[C@@H]1O ZINC000238753973 HD Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@H](O)[C@H]3O[C@@]34C[C@](C)(C=CC4=O)C(=O)[C@@H](O)C(=C1C)C2(C)C ZINC000238754085 HD Annotated Mild COc1cc([C@H]2Oc3c(OC)c(O)c(OC)c(O)c3C(=O)[C@@H]2O)c(OC)cc1O ZINC000238754204 HD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H]2O[C@H]2[C@H](C)[C@@]1(O)C(=O)C[C@@H](C)OCC ZINC000238754254 HD Annotated Anodyne CC(=O)O[C@H]1C/C=C(\C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]2[C@H](C)C(=O)O[C@@H]2/C=C\1C ZINC000238754735 HD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@]23O[C@H]2C[C@](C)(O)[C@]3(Cl)[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238754765 HD Annotated Anodyne COc1ccc2c(c1O)N1C(=O)C[C@@H]3OCC=C4CN(C)CC[C@]25C(=O)C[C@@H]4[C@@H]3[C@H]15 ZINC000238754785 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\CO)C[C@@H](OC(=O)/C(C)=C\CO)[C@@H]12 ZINC000238754811 HD Annotated Mild CC(=O)OCC1=C2[C@H](C[C@H](C)[C@@H](OC(C)=O)CC[C@@]3(C)O[C@H]3[C@@H]2OC(C)=O)OC1=O ZINC000238754828 HD Annotated Anodyne CC(=O)OCC1=C2[C@H](C[C@H](C)CC[C@@H](OC(C)=O)[C@@]3(C)O[C@@H]3[C@H]2OC(C)=O)OC1=O ZINC000238755012 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3[C@@]4(CC[C@H](OC(=O)/C(C)=C\COC(C)=O)[C@]3(C)C[C@H](O)[C@@H]12)CO4 ZINC000238756053 HD Annotated Mild C[C@H]1/C(=C/C(=O)N(C)CCO)CC[C@H]2[C@H]1[C@@H](O)C[C@H]1[C@@](C)(C=O)[C@@H](O)CC[C@]21C ZINC000238756101 HD Annotated Mild COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@@H]3CO[C@H](C)[C@@H]4CN(C)CC[C@]21C(=O)C[C@@H]43 ZINC000238756156 HD Annotated Anodyne C=C1CC[C@]2(C)C3=C(C(=O)[C@]4(C[C@@H]4C)[C@H](OC(C)=O)C3=O)[C@H](OC=O)[C@@H](O)[C@H]2C1=C ZINC000238756447 HD Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](CO)CC/C=C(/C(=O)OC)[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238756475 HD Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](CO)[C@]3(O)C[C@@H](OC)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000238756654 HD Annotated Mild CC(=O)O[C@@H]1C[C@@]2(O)[C@@H](O)C3=C(C)C(=O)O[C@@H]3C[C@H]2[C@]2(C)C(=O)C=CC(C)(C)[C@@H]12 ZINC000238756929 HD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@@]1(C)O[C@@H]1C)[C@H](OC(C)=O)C(C)=C1C[C@H]3O[C@@]3(C)[C@@H]12 ZINC000238756988 HD Annotated Mild C=C(C)C(=O)O[C@@H]1C/C(C)=C\[C@H](OC(C)=O)C[C@](C)(O)/C=C2/OC(=O)C(CO)=C21 ZINC000238757007 HD Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC(C)=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@](C)(OC(C)=O)[C@@H]12 ZINC000238757177 HD Annotated Mild C=C(C)C(=O)O[C@@H]1C[C@H](C)C(=O)CC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238757257 HD Annotated Mild COC(=O)[C@H]1[C@@H](C)OC[C@H]2[C@@H]3N(C(C)=O)c4c(O)cccc4[C@@]34CCN(C)[C@@H]4C[C@H]21 ZINC000238757456 HD Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000238757459 HD Annotated Mild C=C(C)[C@H](CC(=O)OC)C1=C[C@H]2C(=O)O[C@@H]3C[C@](C)(O)[C@@H]([C@@H]32)[C@]12CC(=O)C[C@@H]2O ZINC000238757510 HD Annotated Mild CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@H]1[C@@H]1[C@@H](CC[C@@]23CO3)[C@@]1(C)COC(C)=O ZINC000238757514 HD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@]23O[C@@H]2C[C@H](OC(C)=O)[C@H](C)[C@@]13C ZINC000238757667 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@H](OC(C)=O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000238757683 HD Annotated Mild C=C[C@]1(C)[C@@H]2O[C@@H](OC(C)=O)[C@@]3(CO3)[C@H]1[C@@H](OC(=O)C(C)C)[C@@H]1C(=C)C(=O)O[C@@H]12 ZINC000238758000 HD Annotated Mild CC1=CC(=O)C[C@](C)(CO)[C@@]1(O)/C=C/C(C)=C\C(=O)OC(C)(CC(=O)O)CC(=O)O ZINC000238758066 HD Annotated Mild C/C=C(/C)C(=O)O[C@@H]1[C@@]23O[C@@H]2C[C@H](OC(C)=O)[C@H](C)[C@@]3(C)CC2=C(C)[C@@H](O)O[C@]21O ZINC000238758154 HD Annotated Clean COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CC[C@@]1(O)C2=Nc2ccc(OC)cc21)C3 ZINC000238758279 HD Annotated Anodyne C/C(=C\[C@H](O)C[C@@](C)(O)[C@@H](O)COc1c2ccoc2cc2oc(=O)ccc12)C(=O)O ZINC000238758320 HD Annotated Anodyne C=C1CC/C=C(/C(=O)OC)[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1O ZINC000238758365 HD Annotated Mild C/C=C1/C[C@H](C)[C@](C)(OC(C)=O)C(=O)COC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@H]2O3 ZINC000238758376 HD Annotated Bother C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(/C)[C@@H](O)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12 ZINC000238758550 HD Annotated Mild CC(=O)O[C@@H]1C[C@@](O)(CO)[C@](O)(CCc2ccoc2)[C@]23CCC[C@](C)(C(=O)OC2)[C@H]13 ZINC000238758812 HD Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)/C=C/C)[C@@H]12 ZINC000238758949 HD Annotated Mild COC(=O)C1=C[C@]2(O)/C=C\CN3CC[C@]4(C3=O)c3ccccc3N(C(=O)OC)[C@]14CC2 ZINC000238759036 HD Annotated Anodyne COC(=O)[C@@]12C[C@@H]3C[C@H]([C@@H](C)O)[C@H]1N(CC[C@]21Nc2cc(OC)ccc2C1=O)C3 ZINC000238759174 HD Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@@H]2CCC(C)(C)[C@H]4[C@H](OC(C)=O)OC[C@@]324)[C@@H]1O ZINC000238759476 HD Annotated Mild CC[C@H]1OC(=O)[C@H](OC)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000238759679 HD Annotated Anodyne CC(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]23O[C@H]2C[C@](C)(O)[C@]3(Cl)[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238759963 HD Annotated Anodyne C/C(=C\[C@H](O)C[C@](C)(O)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12)C(=O)O ZINC000238759984 HD Annotated Anodyne COC(=O)N1c2c(ccc3c2OCO3)[C@]23[C@H]4N5CCC[C@]46CC[C@]12[C@@](O)(C6)C(=O)[C@H]3C5 ZINC000238760014 HD Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/CO)[C@]3(OC)C[C@@H](O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000238760024 HD Annotated Mild C=C[C@]1(C)[C@@H]2OC(=O)C(=C)[C@H]([C@@H](OC(=O)C(C)(C)O)[C@H]1C(=C)C=O)[C@H]2OC(C)=O ZINC000238760378 HD Annotated Reactive C[C@H](O)[C@](C)(O)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@@H]2[C@]1(C)O ZINC000238760663 HD Annotated Reactive C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/CO)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]12 ZINC000238760685 HD Annotated Mild C/C=C1/CN2[C@@H]3C[C@H]1[C@](O)(CO)[C@H]2C[C@]31C(=O)Nc2c(OC)cc(OC)c(OC)c21 ZINC000238760705 HD Annotated Anodyne COC1=C(OC)C(=O)[C@@]23C(=C1)[C@@H](O)[C@@H](C)[C@]2(C)[C@@H](O)c1cc2c(c(OC)c13)OCO2 ZINC000238761260 HD Annotated Mild COc1cc(=O)oc(/C=C/C=C/C=C/[C@@]2(C)O[C@@]3(C)[C@@H](O)O[C@@](C)([C@H]2O)[C@@H]3O)c1C ZINC000238761341 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3[C@@](C)(O)C=C[C@@]3(O)C(=C)C[C@@H](OC(=O)/C(C)=C\COC(C)=O)[C@@H]12 ZINC000238761981 HD Annotated Mild C[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@H](OC=O)CC[C@]21C ZINC000238762180 HD Annotated Clean C=C[C@]1(C)C[C@H](OC(=O)C(=C)COC(C)=O)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO ZINC000238762225 HD Annotated Mild C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](CCC(=O)[C@]2(O)CCl)[C@@]12C[C@@H](c1ccoc1)O[C@H]2O ZINC000238762421 HD Annotated Reactive C=C(C)C(=O)O[C@H]1C[C@]2(C)O[C@@H]2CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238762437 HD Annotated Mild C=C1[C@@H]2[C@H](O)[C@@H](OC=O)C3=C(C(=O)[C@H](OC(C)=O)[C@@]4(C[C@H]4C)C3=O)[C@@]2(C)CC[C@H]1C ZINC000238762444 HD Annotated Mild COC(=O)[C@H](OC(=O)c1ccccc1)[C@H]1OOC[C@@H](O)[C@@H]1OC(=O)c1ccccc1 ZINC000238762499 HD Annotated Reactive C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(C)=O)[C@@]1(C)[C@@H]([C@@H](OC(=O)CC(C)C)C[C@H]1O)[C@H](C)[C@H]2O ZINC000238762557 HD Annotated Mild C/C=C(\C=C(C)\C=C\C=C\C=C(/C)C(=O)[C@@H]1C(=O)N[C@@]2(O)CCO[C@@H]12)C(=O)OC ZINC000238762615 HD Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000238762747 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)C[C@H](OC(=O)Cc4ccc(O)cc4)[C@@H]12)C(=O)C[C@H]3CO ZINC000238762835 HD Annotated Mild COC[C@@H]1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000238762889 HD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\COC(C)=O)C[C@]1(CO1)[C@@H]1[C@@H](O)C=C(C)[C@@H]12 ZINC000238763355 HD Annotated Mild CC(=O)OC[C@@]12[C@H](CCC(=O)[C@]13CO3)[C@@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)C[C@H]2O ZINC000238763445 HD Annotated Anodyne C=C(CO)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238763785 HD Annotated Mild C=C(C)[C@@H]1CC[C@H](C(=O)OC)[C@@H](O)C(=O)C[C@](C)(O)Cc2cc(C(=O)OC)c(o2)C1 ZINC000238764015 HD Annotated Mild CCO[C@]12CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C3[C@H](OC(C)=O)C[C@]1(C)O)O2 ZINC000238764398 HD Annotated Anodyne C=C(C)C(=O)O[C@H]1C/C(C)=C/[C@H](OC(C)=O)C[C@@](C)(O)/C=C2\OC(=O)C(CO)=C21 ZINC000238764497 HD Annotated Mild Cc1cc(O)cc(O)c1C(=O)O[C@@H]1CC2=C(COC([C@H]3O[C@@H]3C)=C2)C(=O)[C@]1(C)O ZINC000238765035 HD Annotated Mild COC(=O)/C(=C1\OC(=O)c2c1oc(=O)c1cc(O)c(O)cc21)c1ccc(O)c(O)c1 ZINC000238765334 HD Annotated Clean CC(=O)O[C@@H](C[C@]12[C@H](C)C(=O)[C@H](O)[C@]3(CO[C@H]1O)[C@@H]2CCC[C@]31CO1)c1ccoc1 ZINC000238765535 HD Annotated Anodyne C/C=C/C=C/C(O)=C1\C(=O)[C@@]2(C)C[C@@]3(C(=O)C(Cl)=C[C@H](O)[C@@H]3O)[C@@H]1[C@](C)(O)C2=O ZINC000238765601 HD Annotated Mild C=C1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@@H]1CC[C@@]2(C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000238765821 HD Annotated Mild CC(=O)O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@H](OCC(C)C)[C@H](OC(C)=O)[C@@H]1OCC(C)C ZINC000238766044 HD Annotated Anodyne CCC[C@H]1OC(C)=Cc2cc3c(c(O)c21)C(=O)C([C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O)=CC3=O ZINC000238766138 HD Annotated Mild CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@](C)(O)C[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H]1C ZINC000238766320 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@]2(C)C[C@@H](C3=CCOC3=O)O[C@@H]3CC(=O)[C@]4(CO4)[C@@]1(C)[C@H]32 ZINC000238766621 HD Annotated Anodyne C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)[C@@H](O)[C@H]1C(=C)[C@@](C)(OC(C)=O)CC[C@]21C ZINC000238766632 HD Annotated Mild C=C[C@@](C)(O)[C@H]1O[C@@H](O)[C@@]2([C@@H]1OC(C)=O)[C@@H](C)[C@@H](O)C[C@]1(C)C(C)=CC(=O)C[C@H]12 ZINC000238766790 HD Annotated Mild C=C1C(=O)O[C@H]2C[C@H](C)/C=C\C=C(\COC(C)=O)C[C@@H](OC(=O)[C@@](C)(O)CO)[C@H]12 ZINC000238766810 HD Annotated Mild COc1cc(O)c2c(O)c3c(cc2c1)C[C@@H](C[C@H](O)C[C@H](O)C[C@H](C)O)OC3=O ZINC000238766860 HD Annotated Anodyne C[C@H](O)CCC/C=C/[C@H](O)[C@@H](O)/C=C/c1c(C[C@H](O)C(C)(C)O)ccc(O)c1C=O ZINC000238766950 HD Annotated Anodyne CC(=O)OC[C@]1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](CC[C@H]3[C@]23CO[C@@H](O)[C@@H]31)[C@@H](C)C4=O ZINC000238767041 HD Annotated Anodyne CC(=O)OCC1=CO[C@H](OC(C)=O)[C@@H]2[C@H]1[C@@H]1[C@H](CC[C@@]23CO3)[C@@]1(C)COC(C)=O ZINC000238767202 HD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C[C@]2(C)O[C@@H]2C[C@H](OC(C)=O)/C(CO)=C\[C@@H]2OC(=O)C(=C)[C@@H]21 ZINC000238767801 HD Annotated Mild CC(=O)CC[C@H]1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000238767963 HD Annotated Anodyne C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)C(=O)O[C@H](C)[C@@](C)(O)[C@H]1OC(C)=O ZINC000238768214 HD Annotated Mild CO[C@H]1[C@H]2[C@@H](O)O[C@@H]1[C@]1(C)CC[C@@](C)(CCC(=O)[C@@H](C)CO)C(=O)[C@H]1C[C@H]2OC ZINC000238768655 HD Annotated Anodyne COC(=O)[C@H]1C2=C(C(=O)[C@]3(C)C(=O)C[C@](C)(O)[C@H]23)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O ZINC000238768675 HD Annotated Mild C=C(C)C(=O)O[C@@H]1C2=C(COC(C)=O)C(=O)O[C@@H]2/C=C(\C)CCC(=O)[C@@H](C)[C@H]1O ZINC000238768776 HD Annotated Mild CC(=O)OC[C@]12C(CO)=CCC[C@@H]1[C@@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)[C@H](O)[C@H]2O ZINC000238769087 HD Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@@]4(O)C(C)=C(OC)C(=O)[C@@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238769196 HD Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(COC3=O)[C@@H](OC(C)=O)CC[C@](C)(CO)[C@H]1CO ZINC000238769206 HD Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC[C@@](C)(O)C[C@H](OC(=O)/C(=C\C)COC(C)=O)[C@H]12 ZINC000238769312 HD Annotated Mild CC(C)CC(=O)C1=C(O)[C@](O)(C(=O)C[C@@H]2OC2(C)C)[C@@H](C[C@H](O)C(C)(C)O)C1=O ZINC000238769409 HD Annotated Mild COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@H]1N(CC[C@@]21C(=O)Nc2cc(OC)ccc21)C3 ZINC000238769673 HD Annotated Anodyne C=CC(C)(C)[C@@]12C[C@]3(O)C(=O)N/C(=C\c4cnc[nH]4)C(=O)N3[C@@H]1Nc1ccccc12 ZINC000238769674 HD Annotated Mild C=CC(C)(C)[C@@]12C[C@@]3(O)C(=O)N/C(=C\c4cnc[nH]4)C(=O)N3[C@@H]1Nc1ccccc12 ZINC000238769684 HD Annotated Mild CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2OC(=O)[C@]2(C)CO2)OC1=O ZINC000238769693 HD Annotated Anodyne CCOC(=O)C1=NO[C@@]2(C=C(Br)C(OC)=C(Br)[C@H]2O)C1 ZINC000238769798 HD Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)[C@]3(O)O[C@@](C)(C[C@@H]3OC(C)=O)C[C@@H](OC(=O)C(C)C)[C@@H]12 ZINC000238769969 HD Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C[C@H]4[C@@H](C[C@@H](C)[C@H]12)OC(=O)[C@@]4(COC(C)=O)O3 ZINC000238770238 HD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@H](C)C(=O)CC[C@](C)(O)/C=C2\OC(=O)C(COC(C)=O)=C21 ZINC000238770755 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(\C)C[C@@H](OC(=O)/C(=C\CO)CO)[C@@H]12 ZINC000238770782 HD Annotated Mild CC(=O)O[C@@H]1O[C@H](c2ccoc2)C[C@@]12[C@H]1CCC[C@]3(CO3)[C@@]13CO[C@@](O)([C@@H]2C)[C@@H]3O ZINC000238770790 HD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@]2(COC(C)=O)O[C@@H]2CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238770875 HD Annotated Mild C=C1[C@H](OC)O[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O ZINC000238770877 HD Annotated Reactive C=C(C)[C@H]1C/C=C2\C(=O)O[C@H](C[C@@](C)(O)/C=C3\C=C(C(=O)OC)[C@@](OC)(C1)O3)[C@@H]2O ZINC000238770942 HD Annotated Mild CC(C)[C@]1(O)CC[C@]2(C)C[C@H](O)[C@](C)(O)C(=O)[C@H](OC(=O)c3ccc(O)cc3)[C@H]21 ZINC000238771012 HD Annotated Anodyne COc1ccc(C[C@@H]2[C@@H](O)OC(=O)[C@]2(O)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000238771531 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H](OC(C)=O)/C(C)=C\C(=O)[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000238771608 HD Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC)=C31)O2 ZINC000238771651 HD Annotated Anodyne CO[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@]2(O)CC[C@H](OC(=O)C/C=C(/C)O)[C@H](C)[C@@]12C ZINC000238772160 HD Annotated Anodyne C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(COC(C)=O)=C\[C@@H]2OC(=O)C(=C)[C@@H]21)[C@@H](O)CO ZINC000238772345 HD Annotated Mild COc1cc(=O)oc(/C=C/C=C/C=C/[C@@]2(C)O[C@@]3(C)[C@@H](O)O[C@](C)([C@@H]3O)[C@@H]2O)c1C ZINC000238772738 HD Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N[C@@]23[C@@H](O)C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC ZINC000238772831 HD Annotated Anodyne C=C1C[C@H](O)[C@@H]2[C@@](C)(COC(C)=O)C[C@H](O)C[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)OO2 ZINC000238772909 HD Annotated Reactive CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](C[C@@]4(O)OC(=O)C=C4[C@@H]3C)[C@@]12C ZINC000238773189 HD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@@H](OC(C)=O)C[C@@H]2OC3=O ZINC000238773358 HD Annotated Mild COC(=O)C1=CN([C@@H](C)c2cncc(C(=O)OC)c2C)C[C@H]2[C@H](C)NC(=O)C[C@@H]12 ZINC000238773415 HD Annotated Anodyne COc1cc(C2=C(O)/C(=C(\C(=O)O)c3cc(O)c(O)c(O)c3)OC2=O)ccc1O ZINC000238773496 HD Annotated Clean COc1cccc2c1N1C(=O)C=C3OC[C@H]4O[C@]45CN(C)CC[C@]24C(=O)C[C@@H]5[C@@H]3[C@H]14 ZINC000238773545 HD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)(C(C)C)C(C)(C)O)[C@H]12 ZINC000238773676 HD Annotated Bother COc1ccc2c(c1)[C@@]13CCN4CC5=CCO[C@]6(O)CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@]43OC ZINC000238773900 HD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)C2=C([C@H]3OC(=O)[C@@H](C)[C@H]13)[C@@](C)(COC)O[C@H]2O ZINC000238773910 HD Annotated Anodyne C[C@@]12CCC[C@@](C)(CO)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@](O)([C@H](O)[C@H](O)CO)[C@H]3CO ZINC000238774522 HD Annotated Anodyne Oc1c([C@H]2OC[C@]3(O)[C@@H](Oc4ccc5c(c4)OCO5)OC[C@H]23)ccc2c1OCO2 ZINC000238774536 HD Annotated Anodyne CC[C@@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@H]2C[C@H]([C@H]3C[C@@H](C)C(=O)O3)N3CCC[C@@H](O)[C@@]12C3=O ZINC000238774725 HD Annotated Anodyne C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)OC[C@]32[C@@H](OC(C)=O)CCC(C)(C)[C@H]2CO)[C@@H]1O ZINC000238775121 HD Annotated Mild C=C1C[C@@H](O)[C@H]2[C@@H]([C@H]3C(COC(C)=O)=CO[C@H](OC(C)=O)[C@@H]13)[C@]2(C)COC(C)=O ZINC000238775146 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@@H](O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)/C(C)=C/COC(C)=O)[C@@H]12 ZINC000238775156 HD Annotated Mild CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@@H]2CC[C@H](O)[C@]31CO1 ZINC000238775169 HD Annotated Anodyne C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]1[C@@H](OC(C)=O)C[C@]1(C)[C@@H](O)CC[C@@](C)(O)[C@@H]21 ZINC000238775238 HD Annotated Anodyne CC(=O)O[C@H](C)[C@H](/C=C/[C@@H]1O[C@@H]2C=CC(=O)O[C@@H]2[C@@H]1O)OC(=O)c1ccccc1 ZINC000238775292 HD Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/C)[C@H](OC(C)=O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12 ZINC000238775368 HD Annotated Mild CC[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@]2(O)C[C@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@@]12C3=O ZINC000238775547 HD Annotated Anodyne C[C@@H]1C(=O)C[C@@H](O)[C@]2(C)CC[C@@H](C(C)(C)O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@@H]12 ZINC000238775787 HD Annotated Anodyne C=C1C(=O)[C@]23[C@@H](O)[C@H]1C[C@@](C)(OC(C)=O)[C@H]2[C@]12CCCC(C)(C)[C@@H]1[C@@H](O)[C@@]3(O)OC2 ZINC000238775821 HD Annotated Mild C=C1C(=O)[C@]23[C@@H]4O[C@@H]5O[C@@]2(O)[C@H](O)[C@H]2C(C)(C)CCC[C@]25[C@H]3[C@@](C)(OC(C)=O)C[C@H]14 ZINC000238775858 HD Annotated Mild CC(=O)OCC1=C2[C@H](OC(C)=O)[C@@H]3O[C@@]3(C)C[C@H](OC(C)=O)C[C@H](C)C[C@H]2OC1=O ZINC000238776183 HD Annotated Anodyne CC(=O)OC/C=C(\C)C(=O)O[C@@H]1C(=O)C(COC(C)=O)=C[C@@H](OC(C)=O)[C@H]1C(C)C ZINC000238776215 HD Annotated Mild COC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C(=O)[C@@H]3[C@]2(C)CC[C@H](O)[C@]3(C)C(=O)OC)[C@H]1C ZINC000238776256 HD Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(C)=O)C/C(C)=C/[C@@H](OC(C)=O)C[C@@]3(C)O[C@@H]3[C@H]2OC1=O ZINC000238776440 HD Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/CO)[C@]3(O)C[C@@H](OC)[C@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3 ZINC000238776551 HD Annotated Mild C=C(CO)C(=O)O[C@H]1C[C@H](C)C2=CC(=O)[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238777117 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(=C/CO)OC(C)=O)[C@@H]12 ZINC000238777332 HD Annotated Mild C=C1C(=O)[C@@]23C[C@H]1C[C@@H]1O[C@@H]4OC[C@]5([C@H](CC[C@@](C)(COC(C)=O)[C@@H]45)OC2=O)[C@H]13 ZINC000238777336 HD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/C)COC(C)=O)[C@H](O)C(=C)[C@@H]1C[C@H]3O[C@@]3(C)[C@H]21 ZINC000238777789 HD Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C2=C(COC(C)=O)C(=O)O[C@@H]2/C=C(\C)CCC(=O)[C@@H](C)[C@H]1O ZINC000238777974 HD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2C=C[C@](C)(O)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000238778137 HD Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(C)=O)C/C(C)=C/[C@@H](OC(C)=O)C[C@@]3(C)O[C@H]3[C@H]2OC1=O ZINC000238778147 HD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C[C@@](C)(O)[C@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COCC)=C31)O2 ZINC000238778217 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@H](OC(C)=O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238778390 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\CO)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 ZINC000238778673 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)[C@H](O)/C=C(/C)C[C@@H](OC(=O)/C(=C\C)COC(C)=O)[C@@H]12 ZINC000238779010 HD Annotated Mild C=C(C)C(=O)O[C@H]1C[C@]2(C)O[C@@H]2CC[C@](C)(O)/C=C2\OC(=O)C(COC(C)=O)=C21 ZINC000238779270 HD Annotated Mild CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@]2(O)C[C@@H]([C@@H]3C[C@@H](C)C(=O)O3)N3CCCC[C@]12C3=O ZINC000238779373 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(CO)\C=C/[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C=C(/C)COC(C)=O)[C@@H]12 ZINC000238779441 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(/C(=O)OC)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 ZINC000238779609 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@]3(COC(C)=O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238779669 HD Annotated Mild C=C(C)C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@@H](OC(C)=O)C[C@@](C)(O)[C@@H]3[C@@]23OC(=O)C(COC)=C13 ZINC000238779947 HD Annotated Mild C=C/C1=C\[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000238780066 HD Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]12 ZINC000238780312 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(\C)C[C@@H](OC(=O)C3=C[C@@H](O)OC3)[C@@H]12 ZINC000238780364 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(C)=O)[C@@]1(C)[C@H](C[C@H]2O)[C@@H](OC(=O)CC(C)C)C[C@H]1O ZINC000238780444 HD Annotated Mild C=C(C)C(=O)O[C@@H]1C[C@]2(C)O[C@@H]2CC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238781193 HD Annotated Mild CC(=O)O[C@H]1CC(=O)[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(C)=C4[C@H](O)[C@]3(O)CC[C@@H]2C1(C)C ZINC000238781223 HD Annotated Anodyne C/C(=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)O)C(=O)c1c(O)c(C)cc2c1C(=O)C=C(N)C2=O ZINC000238781288 HD Annotated Mild C=CC(C)(C)[C@@]12C[C@]3(O)C(=O)N/C(=C/c4cnc[nH]4)C(=O)N3[C@@H]1Nc1ccccc12 ZINC000238781424 HD Annotated Mild CC(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CC[C@H](O)[C@]21CO1 ZINC000238781487 HD Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H]3O[C@]3(C)CC/C=C(/C(=O)OC)[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238781542 HD Annotated Mild C=C1C(=O)[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O ZINC000238781685 HD Annotated Mild CC(=O)O[C@@H]1[C@@H](O)C2=C(C(=O)[C@H](O)[C@@]3(C[C@@H]3C)C2=O)[C@@]2(C)CC(=O)C(C)=C(C)[C@@H]12 ZINC000238781700 HD Annotated Mild C=C1CC(=O)[C@H]2O[C@]2(C)C[C@@H](OC(=O)/C(C)=C/C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1OC(C)=O ZINC000238781949 HD Annotated Mild C=C(C)C(=O)O[C@H]1C[C@@]2(C)O[C@@H]2CC[C@](C)(O)/C=C2\OC(=O)C(COC(C)=O)=C21 ZINC000238782066 HD Annotated Mild CC[C@]12O[C@]13CCCCN(C3=O)[C@H]([C@@H]1C[C@H](C)C(=O)O1)CC(=O)[C@H]1[C@H](C)C(=O)O[C@@H]12 ZINC000238782152 HD Annotated Anodyne CC(=O)OC[C@@]12C(=O)[C@@H](O)[C@@H](C)[C@]3(C[C@@H](c4ccoc4)O[C@H]3O)[C@H]1CCC[C@]21CO1 ZINC000238782373 HD Annotated Anodyne CCOC[C@H](OCC)[C@H](COC)O[C@@H]1O[C@@H](COC)[C@H](OC)[C@H](OCC)[C@@H]1OC ZINC000238782804 HD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@H](O)C(C)=C1C(=O)C(Cl)=C(CO)[C@@H]12 ZINC000238783321 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@H](OC(C)=O)[C@]12O ZINC000238783347 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3[C@]4(CC[C@H](OC(=O)/C(=C\C)COC(C)=O)[C@]3(C)C[C@H](O)[C@@H]12)CO4 ZINC000238783350 HD Annotated Mild C=C(C)C(=O)O[C@H]1C[C@@H](C)C(=O)CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238783402 HD Annotated Mild CC(C)CC(=O)O[C@H]1C[C@@](C)(O)[C@]23O[C@H]2C[C@](C)(O)[C@]3(Cl)[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238783517 HD Annotated Anodyne COC(=O)[C@@]12C[C@@H]3C[C@@H]([C@H](C)O)[C@H]1N(CC[C@@]1(O)C2=Nc2ccc(OC)cc21)C3 ZINC000238783538 HD Annotated Anodyne CC[C@@H]1[C@H]2OC(=O)[C@H](C)[C@H]2[C@@]2(O)C[C@H]([C@H]3C[C@@H](C)C(=O)O3)N3CCCC[C@@]12C3=O ZINC000238783931 HD Annotated Anodyne COC(=O)/C(=C1/OC(=O)C(c2ccc(O)c(OC)c2)=C1O)c1cc(O)c(O)c(O)c1 ZINC000238784084 HD Annotated Clean C/C=C/C=C/C(O)=C1\C(=O)[C@@]2(C)C[C@@]3(C(=O)C(Cl)=C[C@H](O)[C@H]3O)[C@@H]1[C@](C)(O)C2=O ZINC000238784086 HD Annotated Mild COC(=O)[C@@H]1C[C@](OC(=O)/C=C/c2ccc(O)c(OC)c2)(C(=O)O)CCC(=O)O1 ZINC000238784135 HD Annotated Anodyne CC(=O)O[C@H]1C[C@H](O)[C@@]2(C)OC[C@@H](C)[C@@H]3C(=O)C=C(C)[C@H]4[C@@H]3[C@H]2O[C@@H]4C[C@]1(C)O ZINC000238784266 HD Annotated Mild COc1cc2c(c(OC)c1OC)C1=C[C@@H]3O[C@]3(OC)C(=O)C=C1[C@@H](NC(C)=O)CC2 ZINC000238784340 HD Annotated Mild CC1=CC[C@@H]([C@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)O2)CC1 ZINC000238784384 HD Annotated Anodyne Cc1c(O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)ccc2c1O/C(=C\c1ccc(O)cc1)C2=O ZINC000238784398 HD Annotated Mild Cn1c[n+](C)c(C(=O)c2nc(C(=O)O)cc3c2[nH]c2ccc(O)cc23)c1[S@@](C)=O ZINC000238784682 HD Annotated Anodyne CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@]2(O)C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@]12C3=O ZINC000238784756 HD Annotated Anodyne C/C=C1/C[C@H](C)[C@](C)(OC(C)=O)C(=O)COC2=CC[N+]3(C)CC[C@H](OC1=O)[C@@H]2O3 ZINC000238785559 HD Annotated Bother CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@@]2(O)C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@]12C3=O ZINC000238785997 HD Annotated Anodyne CC[C@H]1[C@@H]2C(=O)CC[C@@H]([C@@H]3C[C@H](C)C(=O)O3)NC(=O)CC[C@H]2O[C@]12C=C(C)C(=O)O2 ZINC000238786806 HD Annotated Anodyne O=C1C=C2C([C@@H]3CC4=CC(=O)O[C@]45C[C@H]3N3CCC[C@H]35)=C[C@H]3C[C@]2(O1)[C@@H]1CCCN13 ZINC000238786807 HD Annotated Anodyne C[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@]23OC(=O)C[C@@]12C[C@]1(O)OC[C@@]3(C)[C@]1(C)O ZINC000238786939 HD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/COC(C)=O)C[C@]1(CO1)[C@@H]1[C@@H](O)C=C(C)[C@@H]12 ZINC000238787727 HD Annotated Mild CC1=C(C(=O)O[C@@]23OC[C@@]4(C)[C@]2(C)C(=O)C[C@]2([C@@H]3O)[C@@H](C)[C@H](O)C[C@]24O)CCC1 ZINC000238787986 HD Annotated Anodyne C[C@H]1[C@H](O)C[C@]2(O)[C@]13CC(=O)[C@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@@]12C)[C@H]3O ZINC000238788195 HD Annotated Anodyne C=C1[C@H](OCC)O[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O ZINC000238788484 HD Annotated Reactive O=C1C=C2C[C@@H](C3=C4C=C[C@H]5C[C@]4(OC3=O)[C@@H]3CCCN35)[C@H]3C[C@]2(O1)[C@@H]1CCCN13 ZINC000238788697 HD Annotated Anodyne CC[C@H]1C(=O)CCCCN2C(=O)[C@]3(C[C@@H]2[C@H]2C[C@@H](C)C(=O)O2)OC(=O)[C@@H](C)[C@@H]3[C@@H]1O ZINC000238788772 HD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2C=C[C@](C)(O)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000238789110 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(=C/CO)COC(C)=O)[C@@H]12 ZINC000238789160 HD Annotated Mild CCCc1cc(OC(CO)CO)c2c(c1)c1cc3c(cc1c(=O)n2CCN)OCO3 ZINC000238789224 HD Annotated Bother C/C=C1/CN(CC[C@]2(O)C(=O)Nc3ccccc32)C(=O)C[C@H]1/C(=C\OC)C(=O)OC ZINC000238789489 HD Annotated Anodyne C/C=C1\CN(CC[C@]2(O)C(=O)Nc3ccccc32)C(=O)C[C@H]1/C(=C\OC)C(=O)OC ZINC000238789490 HD Annotated Anodyne C/C=C1\CN(CC[C@]2(O)C(=O)Nc3ccccc32)C(=O)C[C@H]1/C(=C/OC)C(=O)OC ZINC000238789491 HD Annotated Anodyne C/C(=C\[C@@H](O)C[C@@](C)(O)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12)C(=O)O ZINC000238789592 HD Annotated Anodyne CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)CC[C@@H]3[C@H](C[C@@]4(O)OC(=O)C=C4[C@@]3(C)O)[C@@]12C ZINC000238789852 HD Annotated Anodyne CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 ZINC000024051136 HD Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000247929427 HD Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000249681029 HD Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000249681033 HD Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@@H]2O ZINC000249681036 HD Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2O ZINC000249681040 HD Annotated Anodyne CCN(CC)CCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000249966821 HD Annotated Anodyne CCN(CC)CCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000249966824 HD Annotated Anodyne O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NC[C@H]1COc2ccccc2O1 ZINC000002601923 HD Annotated Anodyne O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NC[C@@H]1COc2ccccc2O1 ZINC000002601924 HD Annotated Anodyne Cc1c(C(=O)N2CCOCC2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12 ZINC000002922561 HD Annotated Anodyne CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCOC)c2c1 ZINC000002923182 HD Annotated Anodyne CCn1c(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c2ccccc21 ZINC000002923207 HD Annotated Anodyne O=C(O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000002927922 HD Annotated Anodyne COC(=O)C1(S(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)CC1 ZINC000002928176 HD Annotated Anodyne CC(C)c1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000002928570 HD Annotated Anodyne CCCNC(=O)Cn1cnc2sc(C(=O)NCCN(CC)CC)c(C)c2c1=O ZINC000002937423 HD Annotated Anodyne COc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 ZINC000002940360 HD Annotated Clean O=C(CSc1nc2c(sc3ccccc32)c(=O)n1CCO)NC[C@H]1CCCO1 ZINC000002962010 HD Annotated Anodyne O=C(CSc1nc2c(sc3ccccc32)c(=O)n1CCO)NC[C@@H]1CCCO1 ZINC000002962012 HD Annotated Anodyne COc1ccc2c(c1)CCC[C@]21NC(=O)N(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1=O ZINC000025435992 HD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2ccc(OCC)cc2)[C@@H]3C1=O ZINC000250625441 HD Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(O2)[C@H]1COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1 ZINC000253633283 HD Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)c3c(O)c(/N=C4/C=CN=N4)c(C)c(O)c3N1C[C@@H]1N[C@H]12 ZINC000253633749 HD Annotated Mild CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@H](N)CCCN=C(N)N ZINC000253634119 HD Annotated Mild CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@H](N)CCCN=C(N)N ZINC000253634121 HD Annotated Mild COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5OC[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1 ZINC000253636201 HD Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)cc4c(C)c3c2c1 ZINC000253636202 HD Annotated Bother CN(C)CC[S@@](=O)c1ccc(C=c2nc(O)c(=Cc3ccccc3)nc2O)s1 ZINC000253636374 HD Annotated Anodyne CN(C)CC[S@](=O)c1ccc(C=c2nc(O)c(=Cc3ccccc3)nc2O)s1 ZINC000253636376 HD Annotated Anodyne Cc1c(NN=C2CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)c(=O)n(-c2ccccc2)n1C ZINC000253637130 HD Annotated Mild Cc1c(NN=C2CC[C@H](C)n3c2ncc(C(=O)O)c3=O)c(=O)n(-c2ccccc2)n1C ZINC000253637133 HD Annotated Mild C[C@H](O)CCC/C=C/[C@H](O)[C@H](O)/C=C/c1c(C[C@@H](O)C(C)(C)O)ccc(O)c1C=O ZINC000253665306 HD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@H]1CN4C[C@@H](C)[C@@](O)(C=C[C@]12CO)[C@]43O ZINC000253667047 HD Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1)[C@@H]1CC[C@@H]31 ZINC000253669543 HD Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4CC[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000253669547 HD Annotated Anodyne O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4CC[C@@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000253669549 HD Annotated Anodyne C1CNCCN(CC[C@]23O[C@@]4(CCN5CCCNCC5)[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@@H]2[C@@H]6[C@@H]4[C@@H]23)C1 ZINC000253673004 HD Annotated Anodyne C1CNCCN(CC[C@]23O[C@@]4(CCN5CCCNCC5)[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@H]2[C@H]3[C@H]4[C@H]62)C1 ZINC000253673009 HD Annotated Anodyne C1CNCCN(CC[C@@]23O[C@@]4(CCN5CCCNCC5)[C@@H]5[C@H]6C[C@@H]([C@@H]7[C@@H]6[C@@H]4[C@@H]72)[C@H]53)C1 ZINC000253673014 HD Annotated Anodyne C1CNCCN(CC[C@@]23O[C@]4(CCN5CCCNCC5)[C@H]5[C@@H]2[C@@H]2[C@@H]6C[C@@H]([C@H]25)[C@@H]4[C@@H]63)C1 ZINC000253673019 HD Annotated Anodyne C[C@@H]1CCC(=NNc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ncc(C(=O)O)c(=O)n21 ZINC000253691499 HD Annotated Mild C[C@H]1CCC(=NNc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ncc(C(=O)O)c(=O)n21 ZINC000253691502 HD Annotated Mild OC[C@H](O)[C@H](O)[C@H](O)COC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000253693567 HD Annotated Mild OC[C@H](O)[C@@H](O)[C@H](O)COC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000253693576 HD Annotated Mild C=CC[C@@H](O)[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000253778709 HD Annotated Mild C=CC[C@@H](O)[C@@]12[C@@H]3C[C@H]4[C@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000253778717 HD Annotated Mild C=CC[C@@H](O)[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@@H]12 ZINC000253778726 HD Annotated Mild C=CC[C@@H](O)[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@H]12 ZINC000253778733 HD Annotated Mild CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@H]1C ZINC000253855497 HD Annotated Mild COc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1 ZINC000254010372 HD Annotated Anodyne C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000254013045 HD Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000254013050 HD Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000254013054 HD Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000254013057 HD Annotated Mild O=C(NN=C/C=C\c1ccccc1)[C@@H](O)[C@@H](O)C(=O)NN=C/C=C/c1ccccc1 ZINC000254016534 HD Annotated Reactive O=C(NN=C/C=C/c1ccccc1)[C@@H](O)[C@@H](O)C(=O)NN=C/C=C/c1ccccc1 ZINC000254016536 HD Annotated Reactive O=C(NN=C/C=C\c1ccccc1)[C@@H](O)[C@@H](O)C(=O)NN=C/C=C\c1ccccc1 ZINC000254016540 HD Annotated Reactive O=C(NN=C/C=C/c1ccccc1)[C@@H](O)[C@@H](O)C(=O)NN=C/C=C\c1ccccc1 ZINC000254016541 HD Annotated Reactive CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000254045443 HD Annotated Reactive CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000254045448 HD Annotated Reactive CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000254045450 HD Annotated Reactive C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000254047069 HD Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000254047070 HD Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000254047072 HD Annotated Mild C#CCCCON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000254047073 HD Annotated Mild COC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@]1(C(=O)OC)[S@@](=O)C[C@@]12CC[C@@H](C[C@H]1O)C2(C)C ZINC000254075231 HD Annotated Anodyne COC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@]1(C(=O)OC)[S@](=O)C[C@@]12CC[C@@H](C[C@@H]1O)C2(C)C ZINC000254075235 HD Annotated Anodyne COC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@]1(C(=O)OC)[S@@](=O)C[C@@]12CC[C@@H](C[C@@H]1O)C2(C)C ZINC000254075238 HD Annotated Anodyne COC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@]1(C(=O)OC)[S@](=O)C[C@@]12CC[C@@H](C[C@H]1O)C2(C)C ZINC000254075240 HD Annotated Anodyne CC(=O)O[C@@]12O[C@@](C)([C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]31)N(c1ccccc1)C2=O ZINC000254075447 HD Annotated Anodyne CC(=O)O[C@@]12O[C@@](C)([C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]31)N(c1ccccc1)C2=O ZINC000254075451 HD Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@@H]2CC[C@@H](O)[C@]31CO1 ZINC000254094651 HD Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@@H]2CC[C@H](O)[C@@]31CO1 ZINC000254094653 HD Annotated Anodyne O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C(c3ccccc3)=C(c3ccccc3)[C@@]2(O)[C@@H]2C(=O)OC(=O)[C@H]12 ZINC000254130802 HD Annotated Reactive O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C(c3ccccc3)=C(c3ccccc3)[C@]2(O)[C@@H]2C(=O)OC(=O)[C@@H]12 ZINC000254130809 HD Annotated Reactive O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C(c3ccccc3)=C(c3ccccc3)[C@@]2(O)[C@H]2C(=O)OC(=O)[C@@H]21 ZINC000254130813 HD Annotated Reactive COc1ccc(N2C(=O)[C@@H]3CN(C)[C@@]4(C(=O)Nc5ccc(OC)cc54)[C@@H]3C2=O)cc1 ZINC000254132128 HD Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CN(C)[C@]4(C(=O)Nc5ccc(OC)cc54)[C@H]3C2=O)cc1 ZINC000254132130 HD Annotated Anodyne CC(=C/[C@@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C)/C=C/C(O)=C1\C(=O)CNC1=O ZINC000254134953 HD Annotated Mild CC(=C/[C@@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C)/C=C/C(O)=C1/C(=O)CNC1=O ZINC000254134956 HD Annotated Mild CC(=O)OC[C@@H]1O[C@H](N2C(=O)NC(=O)[C@@H]3C=C4CCCCC4=C[C@@H]32)C[C@@H]1OC(C)=O ZINC000254141615 HD Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](N2C(=O)NC(=O)[C@@H]3C=C4CCCCC4=C[C@H]32)C[C@@H]1OC(C)=O ZINC000254141616 HD Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](N2C(=O)NC(=O)[C@@H]3C=C4CCCCC4=C[C@@H]32)C[C@H]1OC(C)=O ZINC000254141617 HD Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](N2C(=O)NC(=O)[C@@H]3C=C4CCCCC4=C[C@H]32)C[C@H]1OC(C)=O ZINC000254141618 HD Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4C[C@H](C(N)=O)C[C@@H]4O)c3n2)CC1 ZINC000254153377 HD Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4C[C@@H](C(N)=O)C[C@@H]4O)c3n2)CC1 ZINC000254153384 HD Annotated Anodyne CC1(C)OC[C@H]([C@@H]2O[C@H](On3nnc4ccc(Cl)cc43)[C@@H]3OC(C)(C)O[C@@H]23)O1 ZINC000254156380 HD Annotated Anodyne CC1(C)O[C@H]2[C@H]([C@H]3COC(C)(C)O3)O[C@H](On3nnc4ccc(Cl)cc43)[C@H]2O1 ZINC000254156381 HD Annotated Anodyne CC1(C)OC[C@H]([C@@H]2O[C@H](On3nnc4ccc(Cl)cc43)[C@@H]3OC(C)(C)O[C@H]23)O1 ZINC000254156382 HD Annotated Anodyne N#Cc1c(-c2ccco2)c2c(n([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1=S)CCCC2 ZINC000254200587 HD Annotated Mild N#Cc1c(-c2ccco2)c2c(n([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c1=S)CCCC2 ZINC000254200589 HD Annotated Mild N#Cc1c(-c2ccco2)c2c(n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c1=S)CCCC2 ZINC000254200592 HD Annotated Mild CCCCCC[C@H](O)C(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)[C@H](O)[C@]13O[C@@H]1[C@H](O)[C@]1(CO1)[C@@]23C ZINC000254201070 HD Annotated Anodyne CCCCCC[C@H](O)C(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)[C@H](O)[C@]13O[C@@H]1[C@@H](O)[C@]1(CO1)[C@@]23C ZINC000254201071 HD Annotated Anodyne CCCCCC[C@H](O)C(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)[C@H](O)[C@]13O[C@@H]1[C@H](O)[C@@]1(CO1)[C@@]23C ZINC000254201072 HD Annotated Anodyne CCCCCC[C@H](O)C(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)[C@H](O)[C@]13O[C@@H]1[C@@H](O)[C@@]1(CO1)[C@@]23C ZINC000254201074 HD Annotated Anodyne CCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@@H](F)[C@H]1OC(=O)CCC ZINC000254209878 HD Annotated Anodyne CCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](F)[C@H]1OC(=O)CCC ZINC000254209879 HD Annotated Anodyne CCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](F)[C@@H]1OC(=O)CCC ZINC000254209880 HD Annotated Anodyne COC(=O)/C=C1/[C@H](O)[C@@H](n2ccc(O)nc2=O)O[C@H]1CO[Si](C)(C)C(C)(C)C ZINC000254224464 HD Annotated Reactive COC(=O)/C=C1\[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](n2ccc(O)nc2=O)[C@@H]1O ZINC000254224465 HD Annotated Reactive CN(C)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254340841 HD Annotated Mild CN(C)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254340846 HD Annotated Mild CN(C)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254340852 HD Annotated Mild CN(C)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254340860 HD Annotated Mild COc1ccc(CN2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254428877 HD Annotated Mild COc1ccc(CN2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254428878 HD Annotated Mild COc1ccc(CN2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254428879 HD Annotated Mild COc1ccc(CN2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254428880 HD Annotated Mild CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)c1=NC(C)=O ZINC000254459175 HD Annotated Bother CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=NC(C)=O ZINC000254459178 HD Annotated Bother COCCn1c(=NC(=O)CSCC(=O)N2CCOCC2)sc2ccccc21 ZINC000254472404 HD Annotated Anodyne CC(=O)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254488639 HD Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254488641 HD Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254488643 HD Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254488645 HD Annotated Mild CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccco1 ZINC000254506945 HD Annotated Reactive CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccco1 ZINC000254506946 HD Annotated Reactive COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254608629 HD Annotated Mild COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254608631 HD Annotated Mild COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254608633 HD Annotated Mild COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254608635 HD Annotated Mild CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=NC(C)=O ZINC000254751425 HD Annotated Bother aggregator CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=NC(C)=O ZINC000254751427 HD Annotated Bother aggregator COCCn1c(=NC(=O)CSCC(=O)N2CCOCC2)sc2cc(C)ccc21 ZINC000254771138 HD Annotated Anodyne COc1cccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254851607 HD Annotated Mild COc1cccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254851609 HD Annotated Mild COc1cccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254851612 HD Annotated Mild COc1cccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254851615 HD Annotated Mild CCn1c(C)c(C(=O)NCCC(=O)O)s/c1=N\C(=O)c1ccc(C(=N)N)cc1 ZINC000025980699 HD Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2cc3ncccc3s2)CCN1CCNc1ccncc1 ZINC000025988210 HD Annotated Anodyne O=C(Nc1ccc(C2=NCCN2)cc1)[C@H]1C[C@H]1C(=O)Nc1ccc(C2=NCCN2)cc1 ZINC000025995792 HD Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@@H]6O ZINC000255197797 HD Annotated Anodyne C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](OC(=O)C(C)C)C[C@@]5(C)CN4[C@@H]6[C@@]2(O)[C@@H](O)[C@H]1[C@@H](O)[C@@H]73 ZINC000255200095 HD Annotated Mild CC(=O)O[C@@H]1[C@@H](O)[C@]2(C)[C@@H]([C@@H](C)O)CC[C@]2(O)[C@]2(O)CC=C3C[C@@H](O)CC[C@]3(C)[C@@H]12 ZINC000255201404 HD Annotated Anodyne CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@]23C[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N4CCCC[C@]1(O2)[C@@]43O ZINC000255201904 HD Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O)[C@]2(C)[C@@H](C(C)=O)CC[C@]2(O)[C@]2(O)CCC3=C[C@@H](O)CC[C@]3(C)[C@@H]12 ZINC000255202684 HD Annotated Anodyne COC1=C[C@@H](C)[C@@H]2[C@@H](O)[C@H]3O[C@@H](O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000255203116 HD Annotated Mild COC1=C[C@@H](C)[C@H]2[C@@H](O)[C@H]3O[C@H](O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](O)[C@H]([C@]43C)[C@@]2(C)C1=O ZINC000255203117 HD Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2O)[C@@]12CCC[C@]4(C)[C@@H](O)O[C@@H]1O[C@@H]3C[C@H]42 ZINC000255204388 HD Annotated Mild CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6O)[C@@H]([C@H](OC)[C@@H]32)[C@@H]14 ZINC000255209000 HD Annotated Anodyne CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H]([C@@H]4O[C@@H]4C1(C)C)[C@]3(C)O)C[C@@]2(C)O ZINC000255209701 HD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2O ZINC000255211675 HD Annotated Anodyne C[C@]12CC(=O)[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)C(C3=CC(=O)OC3)=CC[C@]12O ZINC000255216479 HD Annotated Anodyne COC[C@@]12C=N[C@H]3[C@]4([C@@H](OC)CC1)[C@@H]1C[C@@H]5[C@@H](OC)C[C@@](O)([C@H]1[C@H]5OC)[C@@]3(O)C[C@H]24 ZINC000255220446 HD Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5[C@@H]6[C@@H]7[C@](C)(CCC[C@@]74[C@H]([C@@H]2O)[C@]3([C@@H]6OC(=O)C(C)C)[C@@H]1O)[C@H]5O ZINC000255220654 HD Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@]3(O)[C@@H]2C[C@@H](O)[C@]2(C)[C@](O)([C@H](C)O)CC[C@]32O)C1 ZINC000255221321 HD Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)C(=O)C[C@H](O)C=C3CC[C@]2(O)[C@@]2(O)CC[C@H]([C@H](C)O)[C@@]12C ZINC000255227836 HD Annotated Anodyne COC(=O)[C@H]1C[C@@]23[C@@H]4N5C[C@H](C)[C@]4(O)CC[C@]2(CO)[C@@H](CC[C@@H]2CC[C@@H]1[C@]23O)C5 ZINC000255231230 HD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@@H]1C2=O ZINC000255234270 HD Annotated Anodyne CC[C@@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@]2(O)C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@@]14O[C@@]324 ZINC000255249195 HD Annotated Anodyne CCN1C[C@]2(COC)CC[C@@H](O)[C@@]34[C@@H]5C[C@H]6C(=O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14 ZINC000255256235 HD Annotated Anodyne CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@H]([C@@H](O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000255259660 HD Annotated Mild C[C@@H](/C=C/C=C(/CO)C(N)=O)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@]2(C)CC[C@H](O2)[C@H]1C ZINC000255261780 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2[C@@](O)(CC=C3C[C@H](O)CC[C@@]32C)[C@@]2(O)CC[C@@](O)(C(C)=O)[C@]12C ZINC000255262348 HD Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H]2[C@@]3(C)C(=O)[C@H](OC)C[C@@H](C)[C@@H]3[C@@H](O)[C@H]3OC(=O)C[C@@H]([C@H]1C)[C@]32C ZINC000255263890 HD Annotated Anodyne CO[C@H]1C[C@@H](C)[C@@H]2[C@@H](O)[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000255263892 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)C(=O)C[C@@H](O)CC3=CC[C@]2(O)[C@]2(O)CC[C@H]([C@H](C)O)[C@]12C ZINC000255264079 HD Annotated Anodyne C[C@]12[C@H](O)C(=O)[C@@H]3[C@H]4CC[C@H](O)C[C@@]4(O)CC[C@H]3[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000255264580 HD Annotated Anodyne C[C@@]12[C@@H](c3ccc(=O)oc3)CC[C@]1(O)[C@@H]1CC[C@]3(O)C[C@@H](O)CC[C@@H]3[C@H]1C(=O)[C@@H]2O ZINC000255264581 HD Annotated Anodyne C[C@]12C[C@@H](O)[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)C(C3=CC(=O)OC3)=CC[C@]12O ZINC000255269318 HD Annotated Anodyne C[C@]12C[C@H](O)[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)C(C3=CC(=O)OC3)=CC[C@]12O ZINC000255269319 HD Annotated Anodyne C[C@]12C[C@H](O)[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)C(C3=CC(=O)OC3)=CC[C@]12O ZINC000255269320 HD Annotated Anodyne CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@@H]([C@@H]1C)[C@H](O)[C@H](O)[C@H]2C ZINC000255270937 HD Annotated Mild COC1=C[C@@H](C)[C@@H]2[C@@H](O)[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000255273316 HD Annotated Mild CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3C[C@H](O)O[C@H]3O2)[C@H]2C[C@H]3C[C@]4(CO4)[C@@]12[C@@H](O)O3 ZINC000255273342 HD Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@]3(C)C(=O)[C@@H](O)C[C@@H](C)[C@@H]3C[C@H]3OC(=O)C[C@@H]([C@@H](C)[C@H]1O)[C@@]23C ZINC000255274178 HD Annotated Anodyne C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](OC(C)=O)C[C@@]5(C)CN4[C@@H]6[C@H]2[C@@H](OC(C)=O)[C@H]1[C@@H](O)[C@@H]73 ZINC000255277275 HD Annotated Mild C=C1[C@H](OC(=O)C(C)C)[C@@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CCC[C@@]57[C@@H]2[C@@H](O)[C@]1(O)C[C@@H]3[C@H]7N4C6 ZINC000255281757 HD Annotated Mild CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](OC)([C@H]5[C@H]6O)[C@@H]([C@H](O)[C@@H]32)[C@@H]14 ZINC000255281983 HD Annotated Anodyne COC(C)(C)[C@H]1C=C2C(=O)[C@@H]3O[C@@H]3[C@@H]3[C@@H](O)[C@H]4[C@@H]2C(=O)[C@]12[C@H]4[C@H]3OO[C@@H]2C=C(C)C ZINC000255286102 HD Annotated Reactive CO[C@H]1[C@H](O)[CH][C@H]2[C@@H](O)[C@H](C)[C@H](C)C[C@H]3[CH][C@@H]4OCO[C@H]4[C@H](OC)[C@H]3[C@H]2[C@H]1OC ZINC000255286514 HD Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34O)[C@]13O[C@@H]3[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000255286552 HD Annotated Anodyne C[C@@H](O)C1=CC[C@@]23OCCN(C)C[C@@]12C[C@@H](O)[C@]12O[C@]4(O)CC[C@@]1(C)[C@H](CC=C23)C4 ZINC000255287223 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/COC(C)=O)C[C@]1(CO1)[C@@H]1[C@H](O)C=C(C)[C@H]21 ZINC000257397833 HD Annotated Mild C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@@H](O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)/C(C)=C/COC(C)=O)[C@H]12 ZINC000257397834 HD Annotated Mild C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@H](O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)/C(C)=C/COC(C)=O)[C@H]12 ZINC000257397835 HD Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](Oc2ccc(CC#N)cc2)[C@@H]1OC(C)=O ZINC000257399244 HD Annotated Mild CC(=O)O[C@@H]1[C@H](C)O[C@H](Oc2ccc(CC#N)cc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000257399245 HD Annotated Mild CC(=O)O[C@@H]1[C@@H](Oc2ccc(CC#N)cc2)O[C@@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000257399246 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)O[C@@](C)(C[C@H](OC(=O)C(C)C)[C@@H]12)C[C@H]3OC(C)=O ZINC000257414190 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)O[C@@](C)(C[C@H](OC(=O)C(C)C)[C@H]12)C[C@H]3OC(C)=O ZINC000257414191 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)O[C@@](C)(C[C@H](OC(=O)C(C)C)[C@H]12)C[C@@H]3OC(C)=O ZINC000257414192 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@]3(O)C[C@H](OC)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000257436048 HD Annotated Mild biogenic COc1cc(=O)oc(/C=C\C=C\C=C/[C@]2(C)O[C@]3(C)[C@@H](O)[C@@](C)(O[C@H]3O)[C@@H]2O)c1C ZINC000257447553 HD Annotated Anodyne COc1cc(=O)oc(/C=C\C=C\C=C/[C@]2(C)O[C@]3(C)[C@@H](O)[C@@](C)(O[C@H]3O)[C@H]2O)c1C ZINC000257447554 HD Annotated Anodyne COc1cc(=O)oc(/C=C\C=C\C=C/[C@]2(C)O[C@@]3(C)[C@H](O)O[C@@](C)([C@@H]2O)[C@H]3O)c1C ZINC000257447555 HD Annotated Anodyne COc1cc(=O)oc(/C=C\C=C\C=C/[C@]2(C)O[C@@]3(C)[C@H](O)O[C@@](C)([C@H]2O)[C@H]3O)c1C ZINC000257447556 HD Annotated Anodyne CC1=C2[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@H](C)[C@@H](O)CC[C@@H]3C[C@@]2(O)OC1=O ZINC000257450346 HD Annotated Reactive CC1=C2[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@H](C)[C@@H](O)CC[C@@H]3C[C@]2(O)OC1=O ZINC000257450347 HD Annotated Reactive CC1=C2[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@]2(O)OC1=O ZINC000257450348 HD Annotated Reactive CC1=C2[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@@]2(O)OC1=O ZINC000257450349 HD Annotated Reactive C=C1C(=O)O[C@@H]2C[C@H](CO)C(=O)C[C@H](OC)[C@](C)(OC)C[C@H](OC(=O)/C(C)=C/C)[C@H]12 ZINC000257475510 HD Annotated Mild C=C1C(=O)O[C@@H]2C[C@H](CO)C(=O)C[C@H](OC)[C@](C)(OC)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000257475511 HD Annotated Mild C=C1C(=O)O[C@@H]2C[C@H](CO)C(=O)C[C@H](OC)[C@](C)(OC)C[C@@H](OC(=O)/C(C)=C/C)[C@H]12 ZINC000257475512 HD Annotated Mild C=C1C(=O)O[C@@H]2C[C@H](CO)C(=O)C[C@H](OC)[C@](C)(OC)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000257475513 HD Annotated Mild CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@H](O)[C@@]2(C)[C@@]12CO2 ZINC000257513970 HD Annotated Anodyne CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@H](O)[C@@]2(C)[C@]12CO2 ZINC000257513971 HD Annotated Anodyne CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000257513972 HD Annotated Anodyne CO[C@@]12CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C3[C@@H](OC(C)=O)C[C@@]1(C)O)O2 ZINC000257532064 HD Annotated Anodyne biogenic C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)Cc1ccc(O)cc1)CC(C)=C1C(=O)C=C(CO)[C@H]12 ZINC000257555539 HD Annotated Mild CC(C)CC(=O)C1=C(O)[C@](O)(C(=O)C[C@@H]2OC2(C)C)[C@H](C[C@H](O)C(C)(C)O)C1=O ZINC000257752077 HD Annotated Mild CC1(C)[C@@H]2CC[C@@](C)(O2)[C@@H]1COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1 ZINC000026001955 HD Annotated Anodyne CC1(C)[C@@H](COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccccc2)[C@]2(C)CC[C@H]1O2 ZINC000026001961 HD Annotated Anodyne Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](CC(C)C)C2 ZINC000026012559 HD Annotated Anodyne Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](CC1CC1)C2 ZINC000026012869 HD Annotated Anodyne CC(=O)N[C@@H](CSCCCC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)O)C(=O)O ZINC000026020249 HD Annotated Anodyne C[C@@H](NC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1C)C(=O)OC(C)(C)C ZINC000026023820 HD Annotated Bother CCN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC ZINC000026185408 HD Annotated Anodyne CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1SC ZINC000026251454 HD Annotated Anodyne N[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1CCl ZINC000026252715 HD Annotated Reactive CC(=O)Oc1cccc(C(=O)OCC2=C(C(=O)O)N3C(=O)C[C@H]3S2)c1OC(C)=O ZINC000026282915 HD Annotated Anodyne O=C(O)COC[C@H](O)[C@H](O)/C=C/C=C/C=C/C=C/[C@H](O)COc1ccc(F)cc1 ZINC000026284013 HD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3cnc4ccccc4c3)S[C@H]12 ZINC000026284019 HD Annotated Anodyne C[C@@H](O)C(=O)OCN1C(=O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)S1(=O)=O ZINC000026288882 HD Annotated Anodyne C[C@H](O)C(=O)OCN1C(=O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)S1(=O)=O ZINC000026288887 HD Annotated Anodyne C[C@@H](O)C(=O)OCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)S1(=O)=O ZINC000026288892 HD Annotated Anodyne C[C@H](O)C(=O)OCN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)S1(=O)=O ZINC000026288896 HD Annotated Anodyne CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H](CNC(=O)COC(=O)Cc3ccccc3)[C@H]2O1 ZINC000026290567 HD Annotated Anodyne N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3ccccn3)CC[C@H]12)c1ccccc1 ZINC000026294829 HD Annotated Anodyne CS(=O)(=O)CN1C(=O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)S1(=O)=O ZINC000026376356 HD Annotated Anodyne CS(=O)(=O)CN1C(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)S1(=O)=O ZINC000026376358 HD Annotated Anodyne CCOC(=O)[C@@H](C[C@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000026376913 HD Annotated Anodyne CCOC(=O)[C@H](C[C@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000026376915 HD Annotated Anodyne CCOC(=O)[C@@H](C[C@@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000026376916 HD Annotated Anodyne CCOC(=O)[C@H](C[C@@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000026376918 HD Annotated Anodyne CO/N=C1\CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H]1N ZINC000026377154 HD Annotated Mild CO/N=C1\CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1N ZINC000026377155 HD Annotated Mild N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3ccncc3)CC[C@H]12)c1ccccc1 ZINC000026377340 HD Annotated Anodyne O=C1c2ccccc2C(=O)N1[C@H]1CCC[C@H]2O[C@H](O)[C@@H](Cc3ccccc3)N2C1=O ZINC000026400350 HD Annotated Anodyne O=C1c2ccccc2C(=O)N1[C@H]1CCC[C@H]2O[C@@H](O)[C@H](Cc3ccccc3)N2C1=O ZINC000026400353 HD Annotated Anodyne CC(C)(C)OC(=O)CN1CCN(C[C@@H]2CN(c3ccc(C(=N)N)cc3)C(=O)O2)CC1 ZINC000026489396 HD Annotated Anodyne C[C@H]1C(COc2ccc3cc(C(N)=O)ccc3c2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026495440 HD Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@H](CC(=O)O)C(=O)N(C)C2 ZINC000026497488 HD Annotated Anodyne CN(CCC1CCNCC1)C(=O)c1ccc2c(c1)C[C@@H](CC(=O)O)C(=O)N(C)C2 ZINC000026497493 HD Annotated Anodyne N#C[C@H](Cc1ccc(N2CC[C@@H]3COC[C@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000261095927 HD Annotated Mild N#C[C@H](Cc1ccc(N2CC[C@H]3COC[C@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000261095929 HD Annotated Mild CN1CC[C@H]2CN(c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)C[C@H]21 ZINC000261113458 HD Annotated Mild CN1CC[C@@H]2CN(c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)C[C@H]21 ZINC000261113463 HD Annotated Mild C[C@H]1CN(C(=O)CC#N)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3ccnc(F)c3)cc12 ZINC000261119036 HD Annotated Mild C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)N[C@@H]3CCN(O)C3=O)c2cn1)c1ccccc1 ZINC000261123420 HD Annotated Anodyne CC(=O)N1C[C@H]2C[C@@H](Nc3c(C(N)=O)cnn4cc(-c5cnn(C)c5)cc34)[C@H](C)[C@H]2C1 ZINC000261129234 HD Annotated Anodyne CO[C@H]1CN(C(=O)c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)C[C@@H]1O ZINC000261142093 HD Annotated Anodyne C[C@H]1CN(C(=O)CC#N)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3ccc(F)nc3)cc12 ZINC000261170037 HD Annotated Mild C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)N3CC(=O)N(C)C3)c2cn1)c1ccccc1 ZINC000261175865 HD Annotated Anodyne COC[C@@H](O)CNC(=O)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 ZINC000261191747 HD Annotated Anodyne COC[C@H](O)CNC(=O)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 ZINC000261191748 HD Annotated Anodyne O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ncccn2)CC1 ZINC000263590233 HD Annotated Anodyne C[C@@H]1O[C@H](OCCCNC(=O)O[C@@H](C)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@H](O)C[C@@H]1O ZINC000263591586 HD Annotated Anodyne C[C@H](OC(=O)NCCCO[C@H]1O[C@@H](C)[C@H](O)C[C@H]1O)[C@@H]1O[C@@]2(C)CCC[C@@H]1O2 ZINC000263591587 HD Annotated Anodyne C[C@H](OC(=O)NCCCO[C@H]1O[C@@H](C)[C@H](O)C[C@@H]1O)[C@@H]1O[C@@]2(C)CCC[C@@H]1O2 ZINC000263591588 HD Annotated Anodyne COc1cc(N=c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)cc(OC)c1 ZINC000263592054 HD Annotated Bother O=C1C([N+](=O)[O-])=CC(Br)=C/C1=C\NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000263592158 HD Annotated Mild COc1ccc(-n2nc([N+](=O)[O-])c(=NCCc3ccc(OC)c(OC)c3)n2O)cc1 ZINC000263592232 HD Annotated Bother CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1C(N)=O ZINC000263620293 HD Annotated Anodyne Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2nc1O ZINC000263620556 HD Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)[C@@H]2CC(=O)O[C@@H]3C[C@@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@H]([C@H]1O)[C@@]23C ZINC000263637823 HD Annotated Anodyne CC(=O)O[C@H]1[C@@H](O)[C@H]2[C@@]3(C)C(=O)[C@@H](O)C[C@@H](C)[C@H]3C[C@H]3OC(=O)C[C@@H]([C@H]1C)[C@@]32C ZINC000263637824 HD Annotated Anodyne CC(=O)O[C@H]1[C@@H](O)[C@H]2[C@@]3(C)C(=O)[C@@H](O)C[C@@H](C)[C@H]3C[C@H]3OC(=O)C[C@@H]([C@H]1C)[C@]32C ZINC000263637825 HD Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)[C@@H]2CC(=O)O[C@@H]3C[C@@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@H]([C@H]1O)[C@]23C ZINC000263637826 HD Annotated Anodyne C[C@H]1C(CSc2ccc3c(c2)CC(=O)N3C)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026500225 HD Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)CCNC(=O)[C@H](CC(N)=O)NC(=O)CC2 ZINC000026502141 HD Annotated Anodyne Cc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(SCCN(C)C)s3)[nH]c2=O)cc1 ZINC000026576450 HD Annotated Anodyne CN(C)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(C#N)cc3)[nH]c2=O)s1 ZINC000026577027 HD Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)Nn2c(=O)c(=O)[nH]c3cc(Cl)ccc32)cc1 ZINC000026579388 HD Annotated Mild Cc1ccccc1S(=O)(=O)/N=C(\O)Nn1c(=O)c(=O)[nH]c2cc(Cl)ccc21 ZINC000026639261 HD Annotated Mild CN(C(=O)CNC(=O)CN)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl ZINC000026649370 HD Annotated Bother CCOC(=O)C(CC(=O)c1cc(OC)ccc1N(C)C)(NC(C)=O)C(=O)OCC ZINC000026651942 HD Annotated Clean Cc1ccc(S(=O)(=O)/N=C(\O)Cn2c(=O)c(=O)[nH]c3cc(C)c(C)cc32)cc1 ZINC000026671716 HD Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](/C=C/c4ccno4)C3)[C@H](C)[C@H]12 ZINC000026671735 HD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4cc[n+](C)cc4)cs3)[C@H](C)[C@H]12 ZINC000026673424 HD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](/C=C\c4cnoc4)C3)[C@H](C)[C@H]12 ZINC000026675516 HD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](/C=C/c4ccon4)C3)[C@H](C)[C@H]12 ZINC000026675518 HD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccc[n+](C)c4)cs3)[C@H](C)[C@H]12 ZINC000026716419 HD Annotated Anodyne COc1ccccc1OCCNCCC(=O)N1CCCSc2c1cnn(C)c2=O ZINC000026717070 HD Annotated Anodyne COc1ccccc1OCCNCCCC(=O)N1CCCOc2c1cnn(C)c2=O ZINC000026718272 HD Annotated Anodyne COc1ccccc1OCCN[C@@H](C)C(=O)N1CCCSc2c1cnn(C)c2=O ZINC000026722353 HD Annotated Anodyne COc1ccccc1OCCN[C@H](C)C(=O)N1CCCSc2c1cnn(C)c2=O ZINC000026722360 HD Annotated Anodyne COc1ccccc1N(C(=O)[C@H](C)OC)[C@@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026724047 HD Annotated Anodyne COc1ccccc1N(C(=O)[C@@H](C)OC)[C@@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026724053 HD Annotated Anodyne COc1ccccc1N(C(=O)[C@H](C)OC)[C@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026724060 HD Annotated Anodyne COc1ccccc1N(C(=O)[C@@H](C)OC)[C@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026724067 HD Annotated Anodyne Cn1ncc2c(c1=O)SCCCN2C(=O)CNC[C@@H]1COc2ccccc2O1 ZINC000026726778 HD Annotated Anodyne Cn1ncc2c(c1=O)SCCCN2C(=O)CNC[C@H]1COc2ccccc2O1 ZINC000026726783 HD Annotated Anodyne CCSc1c(N(C)C(=O)CCNCCOc2ccccc2OC)cnn(C)c1=O ZINC000026727674 HD Annotated Anodyne COc1ccccc1OCCNCC(=O)N1CCCSc2c1cnn(C)c2=O ZINC000026729678 HD Annotated Anodyne Cn1ncc2c(c1=O)OCCCN2C(=O)CCNCCOc1cccc(Cl)c1 ZINC000026731008 HD Annotated Anodyne CCS(=O)(=O)N(C)C[C@H](C(=O)NO)[C@@H](CC1CCCC1)C(=O)N1CCCCC1 ZINC000026731361 HD Annotated Bother COc1ccccc1OCCN(C)CCC(=O)N1CCCOc2c1cnn(C)c2=O ZINC000026731817 HD Annotated Anodyne O=C(c1ccccc1O)N(O)CCOCCOCCN(O)C(=O)c1ccccc1O ZINC000026734705 HD Annotated Anodyne CS(=O)(=O)N[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 ZINC000026735038 HD Annotated Bother N=C(N)Nc1cccc(N2C[C@@H](C(=O)N[C@@H](CC(=O)O)c3cccnc3)CC2=O)c1 ZINC000026735197 HD Annotated Anodyne N=C(N)Nc1cccc(N2C[C@H](C(=O)N[C@@H](CC(=O)O)c3cccnc3)CC2=O)c1 ZINC000026735201 HD Annotated Anodyne C[n+]1c(-c2ccc(/C=N/NC(=N)NCCN3CCOCC3)cc2)cn2ccccc21 ZINC000026823260 HD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@@H](CN4CCOCC4)C3)c(F)c2)C(=O)O1 ZINC000026837489 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@H](CN4CCOCC4)C3)c(F)c2)C(=O)O1 ZINC000026837494 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@@H](Cn4ccnc4)C3)c(F)c2)C(=O)O1 ZINC000026837498 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C3=NO[C@H](Cn4ccnc4)C3)c(F)c2)C(=O)O1 ZINC000026837502 HD Annotated Anodyne CCC(=O)COC1CCN(C(=O)[C@H](C)NC(=O)c2ccc(C(=N)NO)cc2)CC1 ZINC000026843470 HD Annotated Anodyne Cc1ccc2[nH]c(CNC(=O)c3ccc4c(c3)CNC(=O)[C@H](CC(=O)O)N4)nc2n1 ZINC000026850931 HD Annotated Anodyne Cc1ccc2[nH]c(CN(C)C(=O)c3ccc4c(c3)CNC(=O)[C@H](CC(=O)O)N4)nc2n1 ZINC000026935083 HD Annotated Anodyne Cc1ccc2[nH]c(CNC(=O)c3ccc4c(c3)CN(C)C(=O)[C@H](CC(=O)O)N4)nc2n1 ZINC000026935626 HD Annotated Anodyne CN[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(C)=O)cn3-c2nccs2)C[C@@H]1OC ZINC000026952428 HD Annotated Anodyne CN[C@H]1CN(c2nc3c(cc2F)c(=O)c(C=O)cn3-c2nccs2)C[C@@H]1OC ZINC000026954484 HD Annotated Anodyne CC1(C)O[C@H]2[C@H](COC[C@@H](O)CNCc3ccccc3)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000026973554 HD Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2COC[C@@H](O)CNCc1ccccc1 ZINC000026973562 HD Annotated Anodyne CC1(C)O[C@H]2[C@H](COC[C@H](O)CNCc3ccccc3)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000026973571 HD Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2COC[C@H](O)CNCc1ccccc1 ZINC000026973579 HD Annotated Anodyne COc1cc2c3c(n1)C(c1ccccc1)=N[C@H](NC(=O)c1cccnc1)C(=O)N3CC2 ZINC000026980404 HD Annotated Anodyne COc1cc2c3c(n1)C(c1ccccc1)=N[C@@H](NC(=O)c1cccnc1)C(=O)N3CC2 ZINC000026980409 HD Annotated Anodyne COC(=O)CC[S@@](=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000026984825 HD Annotated Anodyne COC(=O)CC[S@](=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000026984833 HD Annotated Anodyne CC1(C)O[C@H]2[C@H](COC[C@@H](O)CNCc3ccco3)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000026988632 HD Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2COC[C@@H](O)CNCc1ccco1 ZINC000026988641 HD Annotated Anodyne CC1(C)O[C@H]2[C@H](COC[C@H](O)CNCc3ccco3)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000026988649 HD Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2COC[C@H](O)CNCc1ccco1 ZINC000026988657 HD Annotated Anodyne CN(C)C(=O)CN(C)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1 ZINC000026991209 HD Annotated Anodyne CC1(C)O[C@H]2[C@H](COC[C@@H](O)CN3CCCCC3)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000026997277 HD Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2COC[C@@H](O)CN1CCCCC1 ZINC000026997282 HD Annotated Anodyne CC1(C)O[C@H]2[C@H](COC[C@H](O)CN3CCCCC3)O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 ZINC000026997288 HD Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2COC[C@H](O)CN1CCCCC1 ZINC000026997293 HD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@@H](N)C(=O)O)CC(=O)O1 ZINC000026997876 HD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SC[C@H](N)C(=O)O)CC(=O)O1 ZINC000026997881 HD Annotated Anodyne COC(=O)C[S@@](=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000027073894 HD Annotated Anodyne COC(=O)C[S@](=O)[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000027073900 HD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCN(C)C)CC(=O)O1 ZINC000027074239 HD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)CCN(C)C)CC(=O)O1 ZINC000027074245 HD Annotated Anodyne CN(C)CCn1[nH]c2c3ccccc3nc3c(C(=O)NCCNCCO)ccc1c32 ZINC000027074532 HD Annotated Bother CO/N=C1\CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H]1CN ZINC000027109374 HD Annotated Mild CO/N=C1\CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1CN ZINC000027109377 HD Annotated Mild CN(CCS(=O)(=O)c1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 ZINC000027190494 HD Annotated Anodyne CN(CCS(=O)(=O)c1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 ZINC000027190500 HD Annotated Anodyne COCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1 ZINC000027194567 HD Annotated Mild CCOC(=O)CCN(CC1CC1)C(=O)c1cc(C)cc(OCCCON=C(N)N)c1 ZINC000027204510 HD Annotated Mild COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)=Nn1c(n[nH]c(=O)c1=O)C2 ZINC000027209677 HD Annotated Bother COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)=Nn1c(n[nH]c(=O)c1=O)C2 ZINC000027209733 HD Annotated Bother Cc1c(NC=O)c(C)n(C)c1C(=O)Nc1c(C)c(C(=O)NCCC(=N)N)n(C)c1C ZINC000027212173 HD Annotated Anodyne CC(C)CNCc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1O ZINC000027216623 HD Annotated Clean CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3ccc(CNC4CC4)cc3)[C@H]12 ZINC000027303642 HD Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3ccc(CNC4CC4)cc3)[C@H]12 ZINC000027303649 HD Annotated Anodyne CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3ccc(CNC4CC4)cc3)[C@@H]12 ZINC000027303654 HD Annotated Anodyne CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)c3ccc(CNC4CC4)cc3)[C@@H]12 ZINC000027303659 HD Annotated Anodyne CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CC[C@H](C(=O)c3csc(CN(C)C)n3)[C@@H]21 ZINC000027303879 HD Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2[C@H]3CCC[C@@H]2C(=O)OCCCOC3=O)C1 ZINC000027308755 HD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)CCCCO)CC(=O)O1 ZINC000027310133 HD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)CCCCO)CC(=O)O1 ZINC000027310137 HD Annotated Anodyne Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2ccccc2C#N)c1 ZINC000027310569 HD Annotated Mild COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCC/C=N/N=C(N)N)c1 ZINC000027315358 HD Annotated Mild CCOC(=O)c1cc2n(n1)[C@H](C(=O)O)Nc1cc(Cl)c(-n3ccc[n+]3C=O)cc1-2 ZINC000027325153 HD Annotated Clean CCOC(=O)c1cc2n(n1)[C@@H](C(=O)O)Nc1cc(Cl)c(-n3ccc[n+]3C=O)cc1-2 ZINC000027325159 HD Annotated Clean CC(=O)NNC[C@H]1CN(c2ccc(OCCN3CCSCC3)c(F)c2)C(=O)O1 ZINC000027411758 HD Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(COC(C)=O)s3)c(F)c2)C(=O)O1 ZINC000027412298 HD Annotated Anodyne CCOC(=O)c1nnc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)s1 ZINC000027413229 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(C[S@@](C)=O)s3)c(F)c2)C(=O)O1 ZINC000027413762 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(C[S@](C)=O)s3)c(F)c2)C(=O)O1 ZINC000027413766 HD Annotated Anodyne CC(=S)NNC[C@H]1CN(c2ccc(OCCN3CCOCC3)c(F)c2)C(=O)O1 ZINC000027415449 HD Annotated Clean O=C(CO)N1CC=C(c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1 ZINC000027417080 HD Annotated Anodyne Nc1c(F)c(N2CC(N)C2)c(F)c2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000027424201 HD Annotated Anodyne CCc1ccc(N2C(=O)C[C@H](N(C[C@@H]3CCCO3)C(=O)/C=C/C(=O)O)C2=O)cc1 ZINC000027489542 HD Annotated Anodyne CCc1ccc(N2C(=O)C[C@H](N(C[C@H]3CCCO3)C(=O)/C=C/C(=O)O)C2=O)cc1 ZINC000027489546 HD Annotated Anodyne COc1cc([C@@H]2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CO)cc(OC)c1OC ZINC000027518041 HD Annotated Anodyne COc1cc([C@H]2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CO)cc(OC)c1OC ZINC000027518042 HD Annotated Anodyne COc1cc([C@@H]2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CN)cc(OC)c1OC ZINC000027518045 HD Annotated Anodyne COc1cc([C@H]2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CN)cc(OC)c1OC ZINC000027518046 HD Annotated Anodyne O=C(O)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-n2nccn2)cc1 ZINC000027521190 HD Annotated Anodyne CCOc1cnc(/C=C(\C)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O)o1 ZINC000027521216 HD Annotated Anodyne C#C[C@H](CC(=O)OCC)NC(=O)CN1CCc2ccc(C3CCNCC3)cc2C1=O ZINC000027522268 HD Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](/C=C/c4ccsn4)C3)[C@H](C)[C@H]12 ZINC000027523186 HD Annotated Anodyne C/C(=C\c1ncc(C(=O)O)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027524019 HD Annotated Anodyne COC(=O)c1nc(Cl)c(NNc2nc(N)c3cc(OC)c(OC)cc3n2)nc1N ZINC000027524855 HD Annotated Anodyne C/C(O)=N/S(=O)(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCC[C@@H]1CCCCC1=O ZINC000027525690 HD Annotated Mild C/C(O)=N/S(=O)(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCC[C@H]1CCCCC1=O ZINC000027525692 HD Annotated Mild Fc1cccc2c(/C=N/NC3=NCCN3)c3ccccc3c(/C=N/NC3=NCCN3)c12 ZINC000027560279 HD Annotated Mild Fc1ccc2c(/C=N/NC3=NCCN3)c3ccccc3c(/C=N/NC3=NCCN3)c2c1 ZINC000027564249 HD Annotated Mild COP(=O)(OC)OCN1C(=O)[C@@H](CC(C)C)N(CC2C=CC=C2)S1(=O)=O ZINC000027618991 HD Annotated Anodyne COP(=O)(OC)OCN1C(=O)[C@H](CC(C)C)N(CC2C=CC=C2)S1(=O)=O ZINC000027618996 HD 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)NC1CCCCC1 ZINC000027621360 HD Annotated Anodyne CN(C)CCn1nc2c3c(c(NCCN4CCOCC4)ccc31)C(=O)c1ccncc1-2 ZINC000027629904 HD Annotated Clean CC(=O)[C@@]1(O)CCc2c(c(O)c3c(c2COCCCN)C(=O)c2ccccc2C3=O)C1 ZINC000027632582 HD Annotated Clean CN(C)CCNCCNc1ccc2c3c(nn2CCN(C)C)-c2cnccc2C(=O)c13 ZINC000027634282 HD Annotated Clean CN(C)CCn1nc2c3c(c(NCCN4CCNCC4)ccc31)C(=O)c1ccncc1-2 ZINC000027634431 HD Annotated Clean CN(C)CCn1nc2c3c(c(NCCN(C)CCO)ccc31)C(=O)c1ccncc1-2 ZINC000027634654 HD Annotated Clean CN(C)CCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccncc1-2 ZINC000027635386 HD Annotated Clean NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC=O)=CC3=O)n1 ZINC000027647837 HD Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000027656871 HD Annotated Reactive Cc1ccccc1-n1c(=O)c2c(=O)n(-c3ccccc3C)c(=O)n3c2n(c1=O)CC3 ZINC000027723361 HD Annotated Anodyne Cc1ccccc1-n1c(=N)c2c(=O)n(-c3ccccc3C)c(=O)n3c2n(c1=O)CC3 ZINC000027723755 HD Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1cnc(OC)nc1)C3=CC2=O ZINC000027733463 HD Annotated Mild C[C@H]1C(CN2C(=O)c3cccc4cccc(c34)C2=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000027735123 HD Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(OC)nn1)C3=CC2=O ZINC000027737022 HD Annotated Mild CC(=O)O[C@@H]1C(=O)[C@H](C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@@H](O)C(=O)[C@]4(C)[C@@H]1[C@]23C ZINC000027753319 HD Annotated Anodyne COc1nccc2c1ccc1nc3cccc(C(=O)N[C@H](CO)CN(C)C)c3nc12 ZINC000027766306 HD Annotated Bother CCCN1CCN(C)C[C@@H](NC(=O)c2cc(Br)c(NC)nc2OC)C1 ZINC000027767305 HD Annotated Anodyne CN(CC#CCN1CCCC1)C(=O)CCCCCNC(=O)CNC(=O)OC(C)(C)C ZINC000027850346 HD Annotated Mild COc1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1[C@@H]1OC(=O)NC1=O ZINC000027879672 HD Annotated Mild COc1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1[C@H]1OC(=O)NC1=O ZINC000027879679 HD Annotated Mild CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(C)C(=C3SCCS3)S(=O)(=O)[C@H]12 ZINC000027899215 HD Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(C)C(=C3SCCS3)S(=O)(=O)[C@@H]12 ZINC000027899220 HD Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCN2CCOC2=O)CC1 ZINC000027985625 HD Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2cnccc2=O)CC1 ZINC000027986731 HD Annotated Anodyne O=C(c1cn2c(ccc3sc4ccccc4c(=O)c32)n1)N1CCN(CCO)CC1 ZINC000027993210 HD Annotated Bother CNC(=O)OCc1c2c(n3c1[C@@H](OC(C)=O)CC3)C(=O)C=C(N1CCCC1)C2=O ZINC000028002234 HD Annotated Mild CNC(=O)OCc1c2c(n3c1[C@H](OC(C)=O)CC3)C(=O)C=C(N1CCCC1)C2=O ZINC000028002239 HD Annotated Mild O[C@@H](c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(Cl)cc1Cl ZINC000028012251 HD Annotated Anodyne O[C@H]1[C@H](O)CO[C@@H](Oc2ccc([C@@H](O)c3ccc(Cl)cc3Cl)cc2)[C@@H]1O ZINC000028012256 HD Annotated Anodyne COc1cc(/C=c2\[nH]c(=O)/c(=C/c3c[nH]c4ccccc34)[nH]c2=O)cc(OC)c1OC ZINC000028016633 HD Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCn2ncnn2)CC1 ZINC000028018020 HD Annotated Anodyne COc1cc(OC)c(/C=c2\[nH]c(=O)/c(=C/c3c[nH]c4ccccc34)[nH]c2=O)c(OC)c1 ZINC000028018106 HD Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCn2ncnn2)CC1 ZINC000028018256 HD Annotated Anodyne CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)C1(NC(=O)c2cccc(Cl)c2)CCCCC1 ZINC000028127553 HD Annotated Anodyne O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2N1CCN(CCCSc2ccccc2)CC1 ZINC000028219863 HD Annotated Anodyne O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2N1CCN(CCCSc2ccccc2)CC1 ZINC000028220252 HD Annotated Anodyne O=C1OCCN1CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O ZINC000028229394 HD Annotated Bother COC(=O)CN(Cc1ccccc1O)C[C@@H]1CN(Cc2ccccc2O)CC(=O)O1 ZINC000028237431 HD Annotated Clean COC(=O)CN(Cc1ccccc1O)C[C@H]1CN(Cc2ccccc2O)CC(=O)O1 ZINC000028237436 HD Annotated Clean CC(=O)NC[C@@H]1OC(=O)N2c3ccc(S(=O)(=O)NCc4ccccc4)cc3C[C@@H]12 ZINC000028241062 HD Annotated Anodyne O=S(=O)(N[C@@H]1C[C@@H]1c1ccccc1)NS(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000028246613 HD Annotated Anodyne O=S(=O)(N[C@H]1C[C@@H]1c1ccccc1)NS(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000028246621 HD Annotated Anodyne O=S(=O)(N[C@@H]1C[C@H]1c1ccccc1)NS(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000028246629 HD Annotated Anodyne O=S(=O)(N[C@H]1C[C@H]1c1ccccc1)NS(=O)(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000028246638 HD Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@@]3(CCC(=O)OC)CCC(=O)NC3=O)cc2c1=O ZINC000028254794 HD Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(CCC(=O)OC)CCC(=O)NC3=O)cc2c1=O ZINC000028254798 HD Annotated Anodyne N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C(F)(F)F)CC[C@H]12)c1cccc(F)c1 ZINC000028255550 HD Annotated Anodyne N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C(F)(F)F)CC[C@H]12)c1ccc(F)cc1 ZINC000028257030 HD Annotated Anodyne CN1CCc2c(sc3nc(SCC(=O)NN)n(-c4cccc(F)c4)c(=O)c23)C1 ZINC000028349899 HD Annotated Reactive C[C@@](O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccc([N+]2=CC=NC2)cc1 ZINC000028350696 HD Annotated Mild C[C@](O)(C#Cc1cn2nc(-c3ccco3)nc2c(N)n1)c1ccc([N+]2=CC=NC2)cc1 ZINC000028350704 HD Annotated Mild CN([C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cccnc1 ZINC000028353628 HD Annotated Mild CN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cccnc1 ZINC000028353633 HD Annotated Mild CN([C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000028355293 HD Annotated Mild CN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1 ZINC000028355300 HD Annotated Mild O=c1c2cc(F)c(N3CC[C@@H](CNCC(F)(F)F)C3)cc2n(C2CC2)c(=O)n1O ZINC000028370770 HD Annotated Anodyne O=c1c2cc(F)c(N3CC[C@H](CNCC(F)(F)F)C3)cc2n(C2CC2)c(=O)n1O ZINC000028370776 HD Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C/C=C3/C(=O)OC[C@H]3O)[C@@]3(CC[C@@H]2[C@]1(C)CO)CO3 ZINC000028374458 HD Annotated Anodyne Cc1c(Cl)nc(NCC2CCNCC2)c(=O)n1CC(=O)Nc1cccc(CN)c1 ZINC000028379467 HD Annotated Anodyne OCC(CO)OCn1c(Br)nc(Br)c1Br ZINC000028455327 HD Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCN(c4ccccn4)CC3)cc21 ZINC000028459669 HD Annotated Bother CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@@H](C)C(=O)NO)n1 ZINC000028460973 HD Annotated Bother CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@H](C)C(=O)NO)n1 ZINC000028460976 HD Annotated Bother COc1ccc(OC)c([N+](=O)[O-])c1-c1nc2scc(C)n2c1/C=N/N=C(N)N ZINC000028470066 HD Annotated Mild COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(C)cn2c1/C=N/N=C(N)N ZINC000028475958 HD Annotated Mild COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2scc(C)n2c1/C=N/N=C(N)N ZINC000028476361 HD Annotated Mild COc1ccc(OC)c([N+](=O)[O-])c1-c1nc2sc(C)cn2c1/C=N/N=C(N)N ZINC000028520420 HD Annotated Mild COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@@]1(CCN(C(=O)N(C)OC)C1)N2 ZINC000028529885 HD Annotated Anodyne COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@]1(CCN(C(=O)N(C)OC)C1)N2 ZINC000028529887 HD Annotated Anodyne N#Cc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cn2)c1NC[C@@H]1CCCO1 ZINC000028563111 HD Annotated Mild N#Cc1c(C(F)(F)F)nn(-c2ccc(S(N)(=O)=O)cn2)c1NC[C@H]1CCCO1 ZINC000028563113 HD Annotated Mild C[C@H]1CN(c2c(C#N)c(C(F)F)nn2-c2ccc(S(N)(=O)=O)cn2)C[C@@H](C)O1 ZINC000028563386 HD Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2NCC2OCCO2)nc1 ZINC000028566110 HD Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2O[C@@H]2CCOC2)nc1 ZINC000028569558 HD Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2O[C@H]2CCOC2)nc1 ZINC000028569559 HD Annotated Mild N#Cc1cnc(Nc2cc(N3CCN(CCN4CCOCC4)CC3)ncn2)s1 ZINC000028569958 HD Annotated Mild N#Cc1cnc(Nc2cc(N3CCN(CCCN4CCOCC4)CC3)ncn2)s1 ZINC000028570553 HD Annotated Mild O=c1oc2c(CN(CCO)CCO)c(O)ccc2cc1C1=N[C@@H]2C=CC=C[C@@H]2S1 ZINC000028571595 HD Annotated Clean O=c1oc2c(CN(CCO)CCO)c(O)ccc2cc1C1=N[C@H]2C=CC=C[C@@H]2S1 ZINC000028571596 HD Annotated Clean O=c1oc2c(CN(CCO)CCO)c(O)ccc2cc1C1=N[C@@H]2C=CC=C[C@H]2S1 ZINC000028571597 HD Annotated Clean O=c1oc2c(CN(CCO)CCO)c(O)ccc2cc1C1=N[C@H]2C=CC=C[C@H]2S1 ZINC000028571598 HD Annotated Clean CC1=CC[C@]23CC[C@H]([C@@]2(O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)OC[C@@H](O)CO)OC3=O ZINC000028636690 HD Annotated Anodyne CC1=CC[C@]23CC[C@H]([C@@]2(O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)OC[C@H](O)CO)OC3=O ZINC000028636693 HD Annotated Anodyne CCN(CC)c1nc(C)c2nc(SCC(=O)NCCN)n(CCCN(C)C)c2n1 ZINC000028639453 HD Annotated Anodyne O=C(O)OC[C@@H]1C=C(F)C(=O)[C@H](Cn2ccc(NC(=O)c3ccccc3)nc2=O)O1 ZINC000028641570 HD Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCC(N)=O)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028643271 HD Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCC(N)=O)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028643276 HD Annotated Mild CCOC(=O)[C@@H](C)Sc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)o1 ZINC000028647626 HD Annotated Anodyne CCOC(=O)[C@H](C)Sc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)o1 ZINC000028647629 HD Annotated Anodyne CCOC(=O)CSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 ZINC000028647650 HD Annotated Anodyne CCOC(=O)CS(=O)(=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000028648982 HD Annotated Anodyne COC(=O)c1c(-c2ccc(OC)cc2)nc2nc(S)[nH]c(=O)c2c1C(=O)OC ZINC000028651000 HD Annotated Anodyne O=C1/C(=N\NC(=S)NC2CCCCC2)c2cc(F)ccc2N1CN1CCOCC1 ZINC000028651494 HD Annotated Mild C=CCNC(=S)N/N=C1\C(=O)N(CN2CCCCC2)c2ccc([N+](=O)[O-])cc21 ZINC000028651539 HD Annotated Mild CCCCNC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc([N+](=O)[O-])cc21 ZINC000028651542 HD Annotated Mild C[C@@H]1COc2c(N3CC[C@@H]([C@@H](N)CC#N)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000028703408 HD Annotated Mild CC(=O)NC[C@H]1CN(c2cc(F)c(N3CC(O)(C(F)(F)F)C3)c(F)c2)C(=O)O1 ZINC000028708288 HD Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc([C@@H](O)C3CNC3)nc2)c(F)c1 ZINC000028711442 HD Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc([C@H](O)C3CNC3)nc2)c(F)c1 ZINC000028711443 HD Annotated Anodyne O=C(c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1)C1CNC1 ZINC000028711455 HD Annotated Anodyne CN(C)CCNCCNc1ccc2c3c(nn2CCN)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028756778 HD Annotated Clean NCCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028757145 HD Annotated Clean CC[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H](N)CCCN=C(N)N ZINC000028757252 HD Annotated Mild CC[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(CC)CCN2C(=O)[C@@H](N)CCCN=C(N)N ZINC000028757255 HD Annotated Mild NCCn1nc2c3c(c(NCCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028757449 HD Annotated Clean COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000028757644 HD Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000028757646 HD Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000028757647 HD Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000028757649 HD Annotated Bother O=C1c2c(O)ccc(O)c2-c2nn(CCO)c3ccc(NCCN4CCOCC4)c1c23 ZINC000028759213 HD Annotated Clean COCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028759615 HD Annotated Clean CC(=O)O[C@H]1[C@H](C)O[C@@H](Nc2ccc(C(=O)O)cc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000028760866 HD Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](C)O[C@@H](Nc2ccc(C(=O)O)cc2)[C@H]1OC(C)=O ZINC000028760868 HD Annotated Anodyne CC(=O)O[C@H]1[C@H](C)O[C@@H](Nc2ccc(C(=O)O)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000028760870 HD Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)O[C@@H](Nc2ccc(C(=O)O)cc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000028760872 HD Annotated Anodyne NCCN(CCO)Cc1c2ccccc2c(CN(CCN)CCO)c2ccccc12 ZINC000028762165 HD Annotated Bother NS(=O)(=O)OC[C@@]12OC[C@H]3OC4(CCCCC4)O[C@H]3[C@@H]1OC1(CCCCC1)O2 ZINC000028763238 HD Annotated Anodyne O=c1cnn(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)c(=O)[nH]1 ZINC000028763462 HD Annotated Anodyne CC(=O)N[C@@H](C(=O)Nc1ccc(Nc2nc(N)nc(N)n2)cc1)C(C)(C)SN=O ZINC000028765864 HD Annotated Anodyne CC(=O)N[C@H](C(=O)Nc1ccc(Nc2nc(N)nc(N)n2)cc1)C(C)(C)SN=O ZINC000028765865 HD Annotated Anodyne CN1CCN(CC(=O)N2c3ccccc3N(C)S(=O)(=O)c3ccccc32)CC1 ZINC000028766928 HD Annotated Anodyne C[n+]1ccn(CCCN(Cc2ccccc2)S(=O)(=O)C(F)(F)F)c1/C=N/O ZINC000028769931 HD Annotated Mild O=C1[C@@H]2[C@H](C(=O)N1CCCCN1CCN(c3cnccn3)CC1)[C@@H]1C=C[C@H]2[C@@H]2CC[C@H]12 ZINC000028770636 HD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1)[C@@H]1CC[C@H]31 ZINC000028770638 HD Annotated Anodyne CCOC(=O)[C@H]1C[C@@H](C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1 ZINC000028771306 HD Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C(=O)OCC)CN(C(=O)C(=O)c2c[nH]c3ccccc23)C1 ZINC000028771473 HD Annotated Anodyne CC(=O)Nc1nc(Cc2nnc(S)n2NC(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000028815438 HD Annotated Bother COC(=O)N1[C@@H]2C=C[C@@](OC)(C(=O)c3c2cc(OC)c(OC)c3O)N1C(=O)OC ZINC000028823719 HD Annotated Anodyne COC(=O)N1[C@@H]2C=C[C@@](OC)(C(=O)c3c2cc(OC)c(OC)c3OC)N1C(=O)OC ZINC000028823720 HD Annotated Anodyne O=C(O)c1cn(C2CC2)c2nc(N3CCC4(CC3)OCCO4)c([N+](=O)[O-])cc2c1=O ZINC000028868240 HD Annotated Bother O=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCOC3)c([N+](=O)[O-])cc2c1=O ZINC000028868412 HD Annotated Bother COc1cccc(OC)c1-c1cn([C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)nn1 ZINC000028869297 HD Annotated Anodyne Cc1ccc(O)c(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)c1 ZINC000028875351 HD Annotated Mild Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)c(C(F)F)c2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000028884658 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(NCCCN)n[nH]c2-3)C(=O)O1 ZINC000028950286 HD Annotated Anodyne C=CCNC(=O)[C@H](N(CCCN1CCOCC1)C(=O)c1cccnc1)C(F)(F)F ZINC000028953134 HD Annotated Mild C=CCNC(=O)[C@@H](N(CCCN1CCOCC1)C(=O)c1cccnc1)C(F)(F)F ZINC000028953137 HD Annotated Mild C=CCNC(=O)[C@@](C=C)(CC)N(CCCN1CCOCC1)C(=O)c1cccnc1 ZINC000028953425 HD Annotated Mild C=CCNC(=O)[C@](C=C)(CC)N(CCCN1CCOCC1)C(=O)c1cccnc1 ZINC000028953427 HD Annotated Mild CS(=O)(=O)N(C[C@@H]1CCCCO1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 ZINC000028954096 HD Annotated Anodyne CS(=O)(=O)N(C[C@H]1CCCCO1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 ZINC000028954098 HD Annotated Anodyne CS(=O)(=O)N(C[C@@H]1CCCO1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 ZINC000028954100 HD Annotated Anodyne CS(=O)(=O)N(C[C@H]1CCCO1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12 ZINC000028954101 HD Annotated Anodyne O=C1N=C(O)[C@]2(CCS(=O)(=O)N2c2ccc(Oc3ccc(F)cc3)nc2)C(=O)N1 ZINC000028960229 HD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC)=C31)O2 ZINC000028969977 HD Annotated Anodyne C=CCN1[C@H](c2ccccn2)[C@@H](C(=O)OC)C(=O)[C@H](C(=O)OC)[C@@H]1c1ccccn1 ZINC000028970625 HD Annotated Mild C=CCN1[C@H](c2ccccn2)[C@@H](C(=O)OC)C(=O)[C@@H](C(=O)OC)[C@@H]1c1ccccn1 ZINC000028970631 HD Annotated Mild C=CCN1[C@H](c2ccccn2)[C@H](C(=O)OC)C(=O)[C@H](C(=O)OC)[C@@H]1c1ccccn1 ZINC000028970635 HD Annotated Mild C=CCN1[C@H](c2ccccn2)[C@H](C(=O)OC)C(=O)[C@@H](C(=O)OC)[C@@H]1c1ccccn1 ZINC000028970640 HD Annotated Mild CC(=O)OC/C=C(/CO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000028972315 HD Annotated Anodyne COC(=O)C1=CO[C@@H]2O[C@H]3/C(=C\c4ccc(OC(C)=O)cc4)C(=O)O[C@]34C=C[C@H]1[C@H]24 ZINC000028975249 HD Annotated Anodyne COc1cc(/C=N/Nc2nnc(-c3ncc([N+](=O)[O-])n3C)s2)cc([N+](=O)[O-])c1O ZINC000028975755 HD Annotated Mild O=C(NCCO)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1 ZINC000029038977 HD Annotated Anodyne CCCC[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)[C@@H]([C@@H]6OC(=O)C(CO)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000029042074 HD Annotated Anodyne CCCC[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)[C@H]([C@@H]6OC(=O)C(CO)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000029042076 HD Annotated Anodyne CCCC[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)[C@@H]([C@H]6OC(=O)C(CO)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000029042078 HD Annotated Anodyne CCCC[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)[C@H]([C@H]6OC(=O)C(CO)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000029042080 HD Annotated Anodyne O=C(O)CN1C(=O)CN(/N=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)s2)C1=O ZINC000029043974 HD Annotated Mild CC#CCn1c(NC[C@H](C)N)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21 ZINC000029044870 HD Annotated Mild CC#CCn1c(NCCN)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c21 ZINC000029044876 HD Annotated Mild CC#CCn1c(N2CCC[C@@H](N)C2)nc2cnn(Cc3nc4ccccc4o3)c(=O)c21 ZINC000029045170 HD Annotated Mild CC#CCn1c(N2CCC[C@H](N)C2)nc2cnn(Cc3nc4ccccc4o3)c(=O)c21 ZINC000029045173 HD Annotated Mild CC(C)(C)[C@@H]1NC(=O)[C@@H](CC(=O)NO)NC(=O)CCCCCCCCCNC1=O ZINC000029047933 HD Annotated Bother CN(C(=O)NC1CCN(c2ccc(F)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000029126536 HD Annotated Anodyne CN(C(=O)NC1CCN(c2cccc(C#N)c2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000029126576 HD Annotated Mild COCCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000029127267 HD Annotated Clean CO[C@@H](CN(C(=O)c1ccccc1)c1ccccc1CO)n1cc(F)c(=O)[nH]c1=O ZINC000029128006 HD Annotated Anodyne CO[C@H](CN(C(=O)c1ccccc1)c1ccccc1CO)n1cc(F)c(=O)[nH]c1=O ZINC000029128007 HD Annotated Anodyne COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2n1COP(=O)(O)O ZINC000029134788 HD Annotated Anodyne CC(C)O[C@@H](CCCCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O ZINC000029212023 HD Annotated Reactive CC(C)O[C@H](CCCCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O ZINC000029212027 HD Annotated Reactive COC(=O)c1cc2sc(SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)nc2o1 ZINC000029218497 HD Annotated Anodyne O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)Cc3ccccc3)cccc21 ZINC000029241154 HD Annotated Mild O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3ccc(F)cc3)cccc21 ZINC000029247307 HD Annotated Mild Cc1ccc(S(=O)(=O)Oc2cccc3c2C(=O)C(N2CC2)=C(N2CC2)C3=O)cc1 ZINC000029247428 HD Annotated Mild O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)c3cccs3)cccc21 ZINC000029248377 HD Annotated Mild NC(N)=Nc1nc(CSCCNC2=NS(=O)(=O)c3cscc32)cs1 ZINC000029254547 HD Annotated Mild COc1ccccc1CCN/C(N)=N/c1nc(-c2cnc(CNC(C)=O)[nH]2)cs1 ZINC000029318081 HD Annotated Mild CC(C)[C@@H]1OC(=O)[C@@H](C)[C@@H](C)OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000029319774 HD Annotated Anodyne COc1ccc([C@]2(O)c3cc(OC)c(OC)cc3C(=O)[C@@H]3COC(=O)[C@@H]32)cc1OC ZINC000029323827 HD Annotated Anodyne COCO[C@H]1CC(=O)O[C@H](C)[C@H](C)C(=O)OCC(=O)N(C)[C@H]1Cc1ccccc1 ZINC000029330042 HD Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)c1cc(CN(CCO)CCO)cc(OC)c1C2=O ZINC000029334207 HD Annotated Clean C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O ZINC000029335452 HD Annotated Anodyne CCCCS(=O)(=O)/C=C(\C)C[C@@H]1OC[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029336561 HD Annotated Anodyne CCCCS(=O)(=O)/C=C(\C)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029336565 HD Annotated Anodyne CCCC[S@@](=O)/C=C(\C)C[C@@H]1OC[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029339050 HD Annotated Anodyne CCCC[S@](=O)/C=C(\C)C[C@@H]1OC[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029339054 HD Annotated Anodyne CCCC[S@@](=O)/C=C(\C)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029339058 HD Annotated Anodyne CCCC[S@](=O)/C=C(\C)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029339062 HD Annotated Anodyne C=C(CN(CC(=C)S(C)(=O)=O)[C@H]1C[C@H](C(C)(C)C)CC[C@H]1O)S(C)(=O)=O ZINC000029342470 HD Annotated Mild C=C(CN(CC(=C)S(C)(=O)=O)[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1O)S(C)(=O)=O ZINC000029342471 HD Annotated Mild C=C(CN(CC(=C)S(C)(=O)=O)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1O)S(C)(=O)=O ZINC000029342474 HD Annotated Mild C=C(CN(CC(=C)S(C)(=O)=O)[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O)S(C)(=O)=O ZINC000029342476 HD Annotated Mild N[C@@H]1C=C[C@@H](NCCCNC[C@@H]2CCC[C@@H](CNCCCN[C@H]3C=C[C@H](N)C3)C2)C1 ZINC000029344582 HD Annotated Anodyne N[C@@H]1C=C[C@@H](NCCCNC[C@H]2CCC[C@@H](CNCCCN[C@H]3C=C[C@H](N)C3)C2)C1 ZINC000029344592 HD Annotated Anodyne C=CCN(CCCO)C(=S)SC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C ZINC000029345446 HD Annotated Mild CN(C)C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCN1 ZINC000029400676 HD Annotated Anodyne CN(C)C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CCN1 ZINC000029400679 HD Annotated Anodyne COC(=O)c1nnn(C[C@@H]2CN(c3ccc(C(C)=O)cc3)C(=O)O2)c1C(=O)OC ZINC000029404125 HD Annotated Anodyne COC(=O)c1nnn(C[C@H]2CN(c3ccc(C(C)=O)cc3)C(=O)O2)c1C(=O)OC ZINC000029404128 HD Annotated Anodyne NC(=O)CN1c2nc(-c3ccccc3)c(-c3ccccc3)nc2C(N)=NS1(=O)=O ZINC000029411083 HD Annotated Anodyne CCCc1coc2cc(/C=C(\C)C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@H]4OCO[C@H]4[C@@H]3O)ccc12 ZINC000029415438 HD Annotated Anodyne C=C(C)[C@H]1C[C@H]2O[C@@](O)(/C(C)=C\C(=O)/C=C(/C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1OC(C)=O ZINC000029470206 HD Annotated Mild CN(CCNc1ccccn1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000029479086 HD Annotated Anodyne NC(N)=Nc1nc(CCCC/C(N)=N/S(=O)(=O)NC2CCCCC2)cs1 ZINC000029480941 HD Annotated Mild CNc1cccc(CN(C)C(=O)c2ccc3c(c2)CN(C)C(=O)[C@H](CC(=O)O)N3)n1 ZINC000029483069 HD Annotated Anodyne Cc1cccc(NCCNC(=O)c2ccc3c(c2)CN(C)C(=O)[C@H](CC(=O)O)N3)n1 ZINC000029483986 HD Annotated Anodyne O=C(O)CN1C(=O)[C@@H](NC(=O)[C@@H](S)Cc2ccccc2)COc2ccccc21 ZINC000029484320 HD Annotated Mild O=C(O)CCN1C(=O)[C@@H](NC(=O)[C@@H](S)Cc2ccccc2)COc2ccccc21 ZINC000029484329 HD Annotated Mild O=C(CN1CCOCC1)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000029489470 HD Annotated Anodyne C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(=O)CC(=O)c2ccccc2)[C@H](O)[C@@H]1O ZINC000029544593 HD Annotated Anodyne COc1ccc(/C=C/C(=O)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O)cc1 ZINC000029545660 HD Annotated Mild C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(=O)CC(=O)C2=CCCCC2)[C@H](O)[C@@H]1O ZINC000029548990 HD Annotated Mild C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(=O)CC(=O)c2ccsc2)[C@H](O)[C@@H]1O ZINC000029552835 HD Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(OCCO)cc(C)cc1OCCO ZINC000029565758 HD Annotated Anodyne Cn1c(NC2CCN(CCn3nnn(-c4ccccc4)c3=O)CC2)nc2ccccc21 ZINC000029565902 HD Annotated Anodyne CSc1c(O)c2c(c(O)c1SC)[C@@H]1CO[C@H]3[C@@H]4C[C@@H](C(=O)O)[C@H]([C@H](C2)N31)N4C ZINC000029568474 HD Annotated Clean CSc1c(O)c2c(c(O)c1SC)[C@@H]1CO[C@@H]3[C@@H]4C[C@@H](C(=O)O)[C@H]([C@H](C2)N13)N4C ZINC000029568478 HD Annotated Clean CCO[P@](=O)(N[C@H](C)C(=O)OC)OC[C@H]1C=C[C@@H](n2cc(C)c(O)nc2=O)O1 ZINC000299804536 HD Annotated Anodyne CN1CCN(Cc2ccc(C(=O)NN3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)CC1 ZINC000299806843 HD Annotated Anodyne CN1CCN(Cc2ccc(C(=O)NN3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)cc2)CC1 ZINC000299806844 HD Annotated Anodyne CN(C)CCn1c(=O)c(=Cc2ccc(O)cc2)s/c1=C1\C(=O)Nc2ccccc21 ZINC000299807368 HD Annotated Anodyne Cc1ccc2c(c1)/C(=c1/sc(=Cc3ccc(O)cc3)c(=O)n1CCN(C)C)C(=O)N2 ZINC000299807665 HD Annotated Anodyne CC[N@+]1([O-])C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@@H](O)[C@@H]32)[C@H]41 ZINC000299807892 HD Annotated Bother CC[N@@+]1([O-])C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@@H](O)[C@@H]32)[C@H]41 ZINC000299807895 HD Annotated Bother CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)c3ccc(CNC4CC4)cc3)[C@@H]12 ZINC000299809328 HD Annotated Anodyne COc1ccccc1N(C(=O)[C@H](C)OC)[C@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000299809585 HD Annotated Anodyne C[C@H](CC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@H]1[C@@H](O)C[C@@H]1[C@@H]3CC[C@@H](O)C[C@@H]3C[C@@H](O)[C@H]12 ZINC000299810088 HD Annotated Anodyne C[C@H](CC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@H]1[C@@H](O)C[C@@H]1[C@@H]3CC[C@@H](O)C[C@H]3C[C@@H](O)[C@H]12 ZINC000299810089 HD Annotated Anodyne C[C@H](CC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@H]1[C@@H](O)C[C@@H]1[C@H]3CC[C@@H](O)C[C@H]3C[C@@H](O)[C@H]12 ZINC000299810090 HD Annotated Anodyne C=CC[C@H](O)[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@H]12 ZINC000299811329 HD Annotated Mild C=CC[C@H](O)[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000299811330 HD Annotated Mild C=CC[C@H](O)[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@@H]12 ZINC000299811331 HD Annotated Mild C=CC[C@H](O)[C@@]12[C@@H]3C[C@H]4[C@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000299811332 HD Annotated Mild C=CC[C@@H]1C=C[C@H](ON=CC[C@@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)[C@H](CO)O1 ZINC000299813616 HD Annotated Mild C=CC[C@@H]1C=C[C@H](ON=CC[C@@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)[C@@H](CO)O1 ZINC000299813617 HD Annotated Mild C=CC[C@@H]1C=C[C@H](ON=CC[C@@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)[C@H](CO)O1 ZINC000299813618 HD Annotated Mild C=CC[C@@H]1C=C[C@H](ON=CC[C@@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)[C@@H](CO)O1 ZINC000299813619 HD Annotated Mild C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4C[C@H](C(=O)O)C[C@@H]4O)c3n2)CC1 ZINC000299815037 HD Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4C[C@@H](C(=O)O)C[C@@H]4O)c3n2)CC1 ZINC000299815039 HD Annotated Anodyne CC(C)(C)c1cc(C(C)(C)C)c(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(O)c1O ZINC000299815374 HD Annotated Clean CC(C)(C)c1cc(C(C)(C)C)c(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)c1O ZINC000299815375 HD Annotated Clean CC(C)(C)c1cc(C(C)(C)C)c(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1O ZINC000299815376 HD Annotated Clean CC(C)(C)c1cc(C(C)(C)C)c(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(O)c1O ZINC000299815377 HD Annotated Clean COc1ccc([C@@H]2SCC(=O)N2NC(=O)CNC(=O)c2ccccc2)cc1OC ZINC000299818871 HD Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2NC(=O)CNC(=O)c2ccccc2)cc1OC ZINC000299818876 HD Annotated Anodyne N#Cc1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)CC3)cc1 ZINC000299819394 HD Annotated Mild CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@]1(Cl)C4=C(CC[C@]31C)C(=O)OC4)[C@]21CO1 ZINC000299819641 HD Annotated Anodyne C=C[C@](C)(O)CC/C=C(\C)CC/C=C(\C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299820524 HD Annotated Mild C=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000299820531 HD Annotated Mild Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2cc(F)cc(F)c21 ZINC000299820942 HD Annotated Bother Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1cc(C(=O)O)c(=O)c2cc(F)cc(F)c21 ZINC000299820948 HD Annotated Bother Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21 ZINC000299821362 HD Annotated Bother Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21 ZINC000299821363 HD Annotated Bother N[C@@H](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1CCC(=O)O)C(=O)O ZINC000299822398 HD Annotated Bother CCOC(=O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cc(F)cc2c1=O ZINC000299822400 HD Annotated Bother CCOC(=O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cc(F)cc2c1=O ZINC000299822405 HD Annotated Bother COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NCCO)c2ncccc2c1 ZINC000299822776 HD Annotated Reactive COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NCCO)c2ncccc2c1 ZINC000299822779 HD Annotated Reactive CCOC(=O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2ccc(F)cc2c1=O ZINC000299823146 HD Annotated Bother CCOC(=O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2ccc(F)cc2c1=O ZINC000299823150 HD Annotated Bother COc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@@H](O)Cn1c([N+](=O)[O-])cnc1C ZINC000299823200 HD Annotated Bother COc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@H](O)Cn1c([N+](=O)[O-])cnc1C ZINC000299823204 HD Annotated Bother O=C(O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(Cl)c(F)cc2c1=O ZINC000299823216 HD Annotated Bother O=C(O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(Cl)c(F)cc2c1=O ZINC000299823219 HD Annotated Bother CCOC(=O)c1cn(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)c2ccc(F)cc2c1=O ZINC000299823279 HD Annotated Bother CCOC(=O)c1cn(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)c2ccc(F)cc2c1=O ZINC000299823282 HD Annotated Bother COc1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)CC3)cc1 ZINC000299823764 HD Annotated Mild CCOC(=O)c1cn(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)c2ccc(C)cc2c1=O ZINC000299824465 HD Annotated Bother CCOC(=O)c1cn(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)c2ccc(C)cc2c1=O ZINC000299824471 HD Annotated Bother CCOC(=O)c1cn(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)c2c(F)cccc2c1=O ZINC000299824657 HD Annotated Bother CCOC(=O)c1cn(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)c2c(F)cccc2c1=O ZINC000299824661 HD Annotated Bother CCOC(=O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cccc2c1=O ZINC000299825674 HD Annotated Bother CCOC(=O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cccc2c1=O ZINC000299825676 HD Annotated Bother COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NCCCO)c2ncccc2c1 ZINC000299825697 HD Annotated Reactive COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NCCCO)c2ncccc2c1 ZINC000299825702 HD Annotated Reactive O=C(Cn1nc(Cc2cccs2)n(/N=C/c2ccco2)c1=O)N/N=C/c1ccco1 ZINC000299825951 HD Annotated Reactive Cn1cc(NC(=O)c2coc(-c3ccnc(NCC(F)(F)F)c3)n2)c(C(N)=O)n1 ZINC000299826285 HD Annotated Anodyne Cc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@@H](C)O[C@H](C)CN31 ZINC000299826359 HD Annotated Anodyne Cc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@@H](C)CN31 ZINC000299826363 HD Annotated Anodyne Cc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@H](C)O[C@H](C)CN31 ZINC000299826367 HD Annotated Anodyne Cc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@H](C)O[C@@H](C)CN31 ZINC000299826372 HD Annotated Anodyne C[C@@H](O)[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(C#N)n1 ZINC000299828186 HD Annotated Mild N[C@@H](Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1CCC(=O)O)C(=O)O ZINC000299829229 HD Annotated Bother O=C(/C=C/c1cccc(NC(=O)Nc2ccccc2)c1)C[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000299829466 HD Annotated Mild O=C1C=C(NCc2ccc(C(=O)O)cc2)C(=O)C=C1NCc1ccc(C(=O)O)cc1 ZINC000299829482 HD Annotated Mild CO/N=C1/CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2OC)[C@H]1CN ZINC000299830205 HD Annotated Mild O=P(O)(O)C(CNc1ncnc2ncc(-c3ccsc3)cc12)P(=O)(O)O ZINC000299831142 HD Annotated Anodyne Nn1c(Cc2cccs2)nn(Cc2nnc(S)n2-c2ccc(F)cc2)c1=O ZINC000299831617 HD Annotated Anodyne Cn1c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(C=O)cc2)c(=O)n(C)c1=O ZINC000299832380 HD Annotated Mild Cn1c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)c2ccc(C=O)cc2)c(=O)n(C)c1=O ZINC000299832388 HD Annotated Mild CO/N=C1/CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@@H]1N ZINC000299832955 HD Annotated Mild CO/N=C1/CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@H]1N ZINC000299832958 HD Annotated Mild CCO/N=C1/CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)[C@H]1CN ZINC000299833471 HD Annotated Mild CCO/N=C1/CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)[C@@H]1CN ZINC000299833475 HD Annotated Mild CN(C[C@@H](O)CO)c1nc2cc(O)c3c(c2s1)C(=O)c1cccc(O)c1C3=O ZINC000299834996 HD Annotated Clean CN(C[C@H](O)CO)c1nc2cc(O)c3c(c2s1)C(=O)c1cccc(O)c1C3=O ZINC000299834997 HD Annotated Clean CC1=C[C@@H]2[C@H]3[C@@H]([C@@H](O)CCC[C@]3(C)O)[C@H](O)C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000299836999 HD Annotated Anodyne Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)NC(=O)NC1=O ZINC000299837686 HD Annotated Anodyne CCOc1c(S(=O)(=O)N(C)C)cc(S(=O)(=O)N(C)C)c2ccc(C)nc12 ZINC000299838761 HD Annotated Anodyne CCCNS(=O)(=O)c1cc(S(=O)(=O)NCCC)c2ccc(C)nc2c1O ZINC000299839200 HD Annotated Anodyne CN1CCN(c2cccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)c2)CC1 ZINC000299839299 HD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)NCCN1CCOCC1)=C\CC[C@@]1(C)O[C@@H]21 ZINC000299839710 HD Annotated Mild COc1cc(NC(=S)NNC(=O)c2cc([N+](=O)[O-])cn2C)cc(OC)c1OC ZINC000299840554 HD Annotated Reactive CN1CCN(c2ccccc2-c2ncc3c(n2)N(CCCN2CCOCC2)CC3)CC1 ZINC000299841131 HD Annotated Anodyne Cc1noc2c(Cl)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@@H](C)O[C@H](C)CN31 ZINC000299841247 HD Annotated Anodyne Cc1noc2c(Cl)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@H](C)O[C@H](C)CN31 ZINC000299841248 HD Annotated Anodyne Cc1noc2c(Cl)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@H](C)O[C@@H](C)CN31 ZINC000299841249 HD Annotated Anodyne CC(C)CN1CCS(=O)(=O)[C@H]2CCN(S(=O)(=O)c3ccccc3)CC[C@H]21 ZINC000299841950 HD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](OC(C)=O)C/C=C(\C)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H](O)[C@H]12 ZINC000299844238 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](OC(C)=O)C/C=C(\C)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H](O)[C@H]12 ZINC000299844239 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](OC(C)=O)C/C=C(\C)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H](O)[C@@H]12 ZINC000299844240 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\CO)[C@H](OC(C)=O)C[C@H](O)/C(C)=C/[C@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000299844380 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\CO)[C@H](OC(C)=O)C[C@H](O)/C(C)=C/[C@H](OC(=O)[C@H](C)CC)[C@H]12 ZINC000299844381 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\CO)[C@H](OC(C)=O)C[C@H](O)/C(C)=C/[C@H](OC(=O)[C@@H](C)CC)[C@H]12 ZINC000299844383 HD Annotated Mild CC(C)[C@@H]1CNC(=O)[C@@]2(/C=N/[C@H](C(C)C)CNC(=O)[C@]3(/C=N/1)CCCO3)CCCO2 ZINC000299844456 HD Annotated Anodyne CN(C)C(=O)[C@H](OC(=O)[C@@H]1CC[C@@H](CN)CC1)OC(=O)[C@@H]1CC[C@@](C)(CN)CC1 ZINC000299845557 HD Annotated Anodyne CN(C)C(=O)[C@@H](OC(=O)[C@@H]1CC[C@@H](CN)CC1)OC(=O)[C@@H]1CC[C@@](C)(CN)CC1 ZINC000299845559 HD Annotated Anodyne CCOC(=O)[C@H](OC(=O)[C@@H]1CC[C@@H](CN)CC1)OC(=O)[C@@H]1CC[C@@](C)(CN)CC1 ZINC000299845583 HD Annotated Anodyne CCOC(=O)[C@@H](OC(=O)[C@@H]1CC[C@@H](CN)CC1)OC(=O)[C@@H]1CC[C@@](C)(CN)CC1 ZINC000299845584 HD Annotated Anodyne CS(=O)(=O)OCCN1[C@@H](OO)CCO[P@]1(=O)N(CCCl)CCCl ZINC000299847203 HD Annotated Reactive CS(=O)(=O)OCCN1[C@H](OO)CCO[P@]1(=O)N(CCCl)CCCl ZINC000299847204 HD Annotated Reactive O=C1NC(=O)[C@H]2[C@@H]1[C@H]1C=C3c4ccccc4N(c4ccccc4)[C@]32[C@H]2C(=O)NC(=O)[C@@H]21 ZINC000299847262 HD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)OC)[C@H]12 ZINC000299848018 HD Annotated Bother C/C=C(/C)C(=O)O[C@H]1CC[N@@+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)OC)[C@H]12 ZINC000299848020 HD Annotated Bother CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@@H]2[C@H](NN3C(=O)c4ccccc4C3=O)C(=O)N12 ZINC000299848518 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@H]2[C@H](NN3C(=O)c4ccccc4C3=O)C(=O)N21 ZINC000299848519 HD Annotated Anodyne N=C1C2=C3CCCN3[C@@](O)(N3CCOCC3)[C@H]2NC(=O)N1c1ccc(Cl)cc1 ZINC000299848693 HD Annotated Anodyne N=C1C2=C3CCCN3[C@](O)(N3CCOCC3)[C@H]2NC(=O)N1c1ccc(Cl)cc1 ZINC000299848697 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N21 ZINC000299849054 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)C[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N12 ZINC000299849055 HD Annotated Anodyne O=c1n(Cc2nc3cc(Cl)ccn3c2CNCCO)c2cnccc2n1C1CC1 ZINC000299851972 HD Annotated Anodyne COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccc(F)cc3)n2)cc1)N1C(=O)C=CC1=O ZINC000299852391 HD Annotated Anodyne C[C@H](C(=O)O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(Oc2ccccc2)c1 ZINC000299853472 HD Annotated Anodyne C[C@@H](C(=O)O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(Oc2ccccc2)c1 ZINC000299853473 HD Annotated Anodyne CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc(C(=O)NN)cc12 ZINC000299854604 HD Annotated Reactive CS(=O)(=O)c1c[nH]c(C(=O)Nc2nc3cccnc3n2CCN2CCCC2)c1 ZINC000299854737 HD Annotated Anodyne CCOC(=O)[C@@]1(NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2)CC1(C)C ZINC000299855216 HD Annotated Anodyne CCOC(=O)[C@]1(NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2)CC1(C)C ZINC000299855217 HD Annotated Anodyne CCOc1ccc2nc(NC3=C([N+](=O)[O-])C=C([N+](=O)[O-])[C@H]4NO[N+]([O-])=C34)sc2c1 ZINC000299855564 HD Annotated Anodyne CCOc1ccc2nc(NC3=C([N+](=O)[O-])C=C([N+](=O)[O-])[C@@H]4NO[N+]([O-])=C34)sc2c1 ZINC000299855565 HD Annotated Anodyne Nc1nc(O)c2cc(CC(=O)NC3CCC(C(=O)NCc4cccnc4)CC3)[nH]c2n1 ZINC000299856583 HD Annotated Anodyne COc1cccc2sc(NC3=C([N+](=O)[O-])C=C([N+](=O)[O-])[C@H]4NO[N+]([O-])=C34)nc12 ZINC000299856993 HD Annotated Anodyne COc1cccc2sc(NC3=C([N+](=O)[O-])C=C([N+](=O)[O-])[C@@H]4NO[N+]([O-])=C34)nc12 ZINC000299856995 HD Annotated Anodyne O=[N+]([O-])C1=CC([N+](=O)[O-])=C(Nc2nc3cc([N+](=O)[O-])ccc3s2)C2=[N+]([O-])ON[C@H]12 ZINC000299857283 HD Annotated Bother O=[N+]([O-])C1=CC([N+](=O)[O-])=C(Nc2nc3cc([N+](=O)[O-])ccc3s2)C2=[N+]([O-])ON[C@@H]12 ZINC000299857285 HD Annotated Bother C/C(=N/n1c(N)cc(N)c(C#N)c1=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000299863058 HD Annotated Mild CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(O[C@@H]1O)[C@H]1O[C@H]1[C@@H](O)[C@H]1O[C@H]12 ZINC000299865086 HD Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(O[C@@H]1O)[C@H]1O[C@H]1[C@H](O)[C@H]1O[C@H]12 ZINC000299865087 HD Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(O[C@H]1O)[C@H]1O[C@H]1[C@@H](O)[C@H]1O[C@H]12 ZINC000299865088 HD Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(O[C@H]1O)[C@H]1O[C@H]1[C@H](O)[C@H]1O[C@H]12 ZINC000299865089 HD Annotated Anodyne CN(C)C(=O)Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc21 ZINC000299866214 HD Annotated Mild C=CC(C)(C)c1[nH]c2ccc(C[C@H](O)C(C)(C)O)cc2c1C=c1nc(O)c(=C)nc1O ZINC000299867215 HD Annotated Mild Cc1cnc(N2CCOCC2)c(Cn2cc(/C=N/NC(=O)c3ccc(F)cc3)nn2)c1 ZINC000299867235 HD Annotated Reactive CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(N5CCOC5=O)nc4)cc3NC[C@H]12 ZINC000299867946 HD Annotated Anodyne CC(=O)NC[C@H]1OC(=O)N2c3ccc(-c4ccc(N5CCOC5=O)nc4)cc3NC[C@H]12 ZINC000299867947 HD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(N5CCOC5=O)nc4)cc3NC[C@@H]12 ZINC000299868112 HD Annotated Anodyne CC(=O)NC[C@H]1OC(=O)N2c3ccc(-c4ccc(N5CCOC5=O)nc4)cc3NC[C@@H]12 ZINC000299868113 HD Annotated Anodyne CC1(C)Cc2c(C#N)c(SCCc3nnn[nH]3)nc(N3CCOCC3)c2CO1 ZINC000299869236 HD Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299875147 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299875148 HD Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)CC[C@@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O ZINC000299875719 HD Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)CC[C@@H]2C[C@@H]4[C@@H]1[C@@H]2OC(C)=O ZINC000299875720 HD Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(O)CC[C@@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O ZINC000299875721 HD Annotated Anodyne CCN1C[C@@]2(COC)CC[C@H](O)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(O)CC[C@@H]2C[C@@H]4[C@@H]1[C@@H]2OC(C)=O ZINC000299875722 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299878636 HD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299878637 HD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2cnccn2)C1 ZINC000299880929 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2cnccn2)C1 ZINC000299880930 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299881861 HD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299881862 HD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299882126 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299882127 HD Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c3ccco3)C2)c1 ZINC000299882463 HD Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c3ccco3)C2)c1 ZINC000299882464 HD Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c3ccco3)C2)c1 ZINC000299882465 HD Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c3ccco3)C2)c1 ZINC000299882466 HD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299883114 HD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299885920 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000299885921 HD Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(O)cc(O)c2)cs1 ZINC000299886503 HD Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(O)cc(O)c2)cs1 ZINC000299886504 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@H](C)C[C@@H]3OC(=O)[C@H](CN4CCCC4)[C@H]3[C@H](O)[C@H]12 ZINC000299887061 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@H](C)C[C@@H]3OC(=O)[C@H](CN4CCCC4)[C@H]3[C@H](O)[C@H]12 ZINC000299887062 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@@H](C)C[C@@H]3OC(=O)[C@@H](CN4CCCC4)[C@H]3[C@H](O)[C@H]12 ZINC000299887063 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@H](C)C[C@@H]3OC(=O)[C@@H](CN4CCCC4)[C@H]3[C@H](O)[C@H]12 ZINC000299887064 HD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299888178 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299888179 HD Annotated Anodyne O=C(C1CCN(S(=O)(=O)N2CCCCCC2)CC1)N1CCC2(CC1)OCCO2 ZINC000003045969 HD Annotated Anodyne N#CCCn1cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)O)S2)c(-c2ccc(F)cc2)n1 ZINC000003188553 HD Annotated Mild CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000003301325 HD Annotated Bother O=C1CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc2N1 ZINC000003303618 HD Annotated Anodyne C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000003340762 HD Annotated Mild COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NNC(=O)c2cc(C)oc2C)c1OC ZINC000003409169 HD Annotated Reactive O=[N+]([O-])c1ccc(NN=Cc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc1 ZINC000301054774 HD Annotated Mild CO[C@@H]1C[C@@H]2C=C[C@H]3[C@H]4O[C@@]2(C(C)=C[C@H](C)[C@H]([C@H](C)O)OC1=O)[C@H]3[C@H](O)[C@H](C)[C@H]4O ZINC000306146661 HD Annotated Anodyne CO[C@@H]1C[C@@H]2C=C[C@H]3[C@H]4O[C@@]2(C(C)=C[C@H](C)[C@H]([C@H](C)O)OC1=O)[C@H]3[C@H](O)[C@@H](C)[C@H]4O ZINC000306146662 HD Annotated Anodyne CO[C@@H]1C[C@@H]2C=C[C@H]3[C@H]4O[C@@]2(C(C)=C[C@H](C)[C@H]([C@H](C)O)OC1=O)[C@H]3[C@H](O)[C@@H](C)[C@@H]4O ZINC000306146663 HD Annotated Anodyne CO[C@@H]1C[C@@H]2C=C[C@H]3[C@H]4O[C@@]2(C(C)=C[C@H](C)[C@H]([C@H](C)O)OC1=O)[C@H]3[C@H](O)[C@H](C)[C@@H]4O ZINC000306146664 HD Annotated Anodyne COS(=O)(=O)OC[C@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000306146772 HD Annotated Mild COS(=O)(=O)OC[C@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000306146773 HD Annotated Mild COS(=O)(=O)OC[C@@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000306146774 HD Annotated Mild CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CC[C@H](O)[C@]21CO1 ZINC000031158196 HD Annotated Anodyne CC(=O)OC[C@@]12[C@H](C[C@H](O)C[C@]13CO3)[C@@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)C[C@H]2O ZINC000031168099 HD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1C(=O)O ZINC000031459242 HD Annotated Mild in-vitro biogenic C[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H](n2cnc3ccccc3c2=O)C(=O)O1 ZINC000031500869 HD Annotated Anodyne COC1=CC[C@@H]2C[C@H]3O[C@H](OC)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000031544228 HD Annotated Mild COC(=O)C1(C(=O)OC)[C@H]2C(=O)[C@@H]3[C@H]([C@H]21)C3(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000031719896 HD Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](O)(OCC)[C@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 ZINC000031870673 HD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](O)(OCC)[C@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 ZINC000031870674 HD Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](O)(OCC)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 ZINC000031870675 HD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@](O)(OCC)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 ZINC000031870676 HD Annotated Anodyne COc1ccc(/C=N/NS(=O)(=O)c2ccc(/C=C3\NC(=O)NC3=O)cc2)cc1 ZINC000031871272 HD Annotated Mild O=C1NC(=O)/C(=C/c2ccc(S(=O)(=O)N/N=C/c3ccc(Cl)cc3)cc2)N1 ZINC000031871287 HD Annotated Mild N#Cc1nc(CC[C@H](c2nc(C#N)c(N)o2)N2C(=O)c3ccccc3C2=O)oc1N ZINC000031871510 HD Annotated Mild CC(=O)OC[C@@H]1O[C@H](N2C(=O)NC(=O)[C@H]3C=C4CCCCC4=C[C@H]32)C[C@@H]1OC(C)=O ZINC000031897263 HD Annotated Anodyne CC(=O)OC[C@H]1O[C@H](N2C(=O)NC(=O)[C@H]3C=C4CCCCC4=C[C@H]32)C[C@@H]1OC(C)=O ZINC000031897266 HD Annotated Anodyne CC(=O)O[C@@]12O[C@@](C)([C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]31)N(c1ccccc1)C2=O ZINC000031904780 HD Annotated Anodyne CC(=O)O[C@]12O[C@](C)([C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]31)N(c1ccccc1)C2=O ZINC000031904781 HD Annotated Anodyne CC(C)(C)c1cc(C(C)(C)C)c(S[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(O)c1O ZINC000031905034 HD Annotated Clean CC(C)(C)c1cc(C(C)(C)C)c(S[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(O)c1O ZINC000031905035 HD Annotated Clean Cc1cc(C)c2c(=O)n(C[C@@H](O)CN3CCN(c4ncccn4)CC3)sc2n1 ZINC000031905653 HD Annotated Anodyne Cc1cc(C)c2c(=O)n(C[C@H](O)CN3CCN(c4ncccn4)CC3)sc2n1 ZINC000031905654 HD Annotated Anodyne CC(=O)C1=C(O)[C@H](N)[C@@H]2Cc3c(c(O)c4c(O)c(C)ccc4c3C)C(=O)[C@@]2(O)C1=O ZINC000031938062 HD Annotated Mild CC(=O)C1=C(O)[C@]2(O)C(=O)c3c(c(C)c4ccc(C)c(O)c4c3O)C[C@@H]2[C@@H](N)C1=O ZINC000031938063 HD Annotated Anodyne CC(=O)C1=C(O)[C@H](N)[C@H]2Cc3c(c(O)c4c(O)c(C)ccc4c3C)C(=O)[C@]2(O)C1=O ZINC000031938065 HD Annotated Mild N[C@@H]1C=C[C@H](NCCCNC[C@@H]2CCC[C@@H](CNCCCN[C@@H]3C=C[C@H](N)C3)C2)C1 ZINC000032061265 HD Annotated Anodyne N[C@@H]1C=C[C@H](NCCCNC[C@@H]2CCC[C@H](CNCCCN[C@@H]3C=C[C@H](N)C3)C2)C1 ZINC000032061269 HD Annotated Anodyne CC(=O)OCCOCN1c2ccccc2C(=O)N(Cc2ccccc2)S1(=O)=O ZINC000032067153 HD Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@]2(C)C[C@@H](C3=CC(=O)OC3)O[C@@H]3CC(=O)[C@]4(CO4)[C@@]1(C)[C@H]32 ZINC000032298800 HD Annotated Anodyne CC(=O)O[C@H]1CC[C@@H]2[C@]3(C[C@@H](O)c4ccoc4)C(=O)OC[C@]2([C@H](O)C[C@H]3C)[C@@]12CO2 ZINC000032302223 HD Annotated Anodyne Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccc(Cl)c2)c1CN1CCCC1 ZINC000033296050 HD Annotated Reactive COC(=O)C1=C(C)N/C(=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)C1=O ZINC000033344730 HD Annotated Mild Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccoc2)c1CSc1ccccc1 ZINC000033363258 HD Annotated Reactive Cn1c(C(=O)N2CCC[C@@H](C(=O)NCCN3CCOCC3)C2)cc2sccc21 ZINC000033363592 HD Annotated Anodyne Cn1c(C(=O)N2CCC[C@H](C(=O)NCCN3CCOCC3)C2)cc2sccc21 ZINC000033363593 HD Annotated Anodyne CC(C)(C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCCC[C@@H]3CO)c(C#N)c21 ZINC000033487582 HD Annotated Mild CC(C)(C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCCC[C@H]3CO)c(C#N)c21 ZINC000033487584 HD Annotated Mild O=C(O)CN1C(=O)/C(=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)c2ccccc21 ZINC000033570370 HD Annotated Anodyne CN1C(=O)/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C(O)=NC1=S ZINC000033682996 HD Annotated Clean C/C=C1/CN2CC[C@@]34c5ccccc5N[C@@]23[C@H](O)C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC ZINC000033830110 HD Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@](O)(CC=C3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@@](O)(C(C)=O)[C@@]12C ZINC000033832473 HD Annotated Anodyne COC(=O)[C@]1(O)C[C@@]23CCC[N+]4([O-])CC[C@@]5(c6ccc7c(c6N[C@]15CC2)OCO7)[C@H]34 ZINC000033832629 HD Annotated Bother in-vitro biogenic COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000033833024 HD Annotated Mild in-vitro biogenic COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C=C4[C@](C)(O)[C@@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000033833033 HD Annotated Mild COc1cc2c(cc1OC)[C@@]13CCN(C)CC4=CCO[C@@H]5CC(=O)N2[C@H]1[C@@H]5[C@H]4CC3=O ZINC000033833097 HD Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN(C)CC4=CCO[C@@H]5CC(=O)N2[C@H]1[C@H]5[C@H]4CC3=O ZINC000033833098 HD Annotated Anodyne CC(=O)c1c(O)cc(C)c2c1Oc1c(c(CO)c(O)c3c1[C@@H](O)OC3=O)OC2=O ZINC000033833586 HD Annotated Anodyne in-vitro biogenic COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@]43O ZINC000033903630 HD Annotated Anodyne in-vitro biogenic C[C@H](O)CC(=O)O[C@H]1C[C@H]2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000033903658 HD Annotated Anodyne C[C@@H](O)CC(=O)O[C@H]1C[C@H]2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000033903659 HD Annotated Anodyne Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C\c1cccc([N+](=O)[O-])c1)n2Cc1ccccc1 ZINC000033909276 HD Annotated Mild CC[C@]12C=CCN3CC[C@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@@H]32 ZINC000033913769 HD Annotated Anodyne in-vitro CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C ZINC000033943445 HD Annotated Anodyne CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@H](OC)COC(=O)C/C=C/[C@@H]1C ZINC000033943446 HD Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C ZINC000033943482 HD Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C/[C@@H]1C ZINC000033943484 HD Annotated Anodyne C/C=C1\C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000033954793 HD Annotated Mild CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@H](O)[C@@H](C)O)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1 ZINC000033954918 HD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12)C(C)C ZINC000033954978 HD Annotated Anodyne CCNC(=O)/N=c1/[nH]c2cc(-n3cnc(C(=O)NC4CC4)c3)cc(-n3cccn3)c2[nH]1 ZINC000033988974 HD Annotated Anodyne CCCCc1c(O)n(CC2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2c1=O ZINC000034090827 HD Annotated Anodyne C[C@H]1COC(=O)CC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000034127177 HD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C ZINC000034148681 HD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C ZINC000034148683 HD Annotated Anodyne C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3CC[C@@H]12 ZINC000034148724 HD Annotated Mild C#CCCCO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 ZINC000034148726 HD Annotated Mild C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3CC[C@@H]12 ZINC000034148759 HD Annotated Mild C#CCCCO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3CC[C@@H]12 ZINC000034148761 HD Annotated Mild CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](OC)[C@H](C)COC(=O)C/C=C/[C@H]1C ZINC000034148805 HD Annotated Anodyne CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](OC)[C@H](C)COC(=O)C/C=C\[C@H]1C ZINC000034148806 HD Annotated Anodyne CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](OC)[C@H](C)COC(=O)C/C=C/[C@H]1C ZINC000034148808 HD Annotated Anodyne CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](C)[C@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000034148810 HD Annotated Anodyne CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)C/C=C/[C@@H]1C ZINC000034148812 HD Annotated Anodyne C#CCCCO/N=C1\C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]21 ZINC000034148889 HD Annotated Mild CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@H]1C ZINC000034148958 HD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@H]1C ZINC000034148960 HD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@H]1C ZINC000034148962 HD Annotated Anodyne CO[C@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000034149024 HD Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C ZINC000034149026 HD Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000034149097 HD Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C/[C@@H]1C ZINC000034149099 HD Annotated Anodyne COc1cc2c(CCCCN=C(N)N)cnc(CCCN=C(N)N)c2cc1OC ZINC000034167457 HD Annotated Mild C=C/C1=C/[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000034167648 HD Annotated Mild COC1=CC(=O)[C@]2([C@@H](Cl)C[C@@]34C(OC)=C(OC)C(=O)C[C@]32CCN4C)[C@@H]1OC ZINC000034168047 HD Annotated Reactive COC(=O)[C@@H](c1ccc(OC)cc1)N1C(=O)[C@@H](NC(=O)c2ccccc2)[C@H]1[C@@H](C)O ZINC000034172393 HD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4CC[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000034224141 HD Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4CC[C@H]34)[C@@H]2C(=O)N1CCCCN1CCN(c2cnccn2)CC1 ZINC000034224142 HD Annotated Anodyne C[C@@H]1OC(=O)c2c(O)cc3c(ncn3C)c2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C ZINC000034270589 HD Annotated Mild N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000034327072 HD Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)OC[C@]32[C@@H](OC(C)=O)CCC(C)(C)[C@H]2C=O)[C@@H]1O ZINC000034345529 HD Annotated Mild in-vitro biogenic C=C(CCC=C(C)C)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000034370167 HD Annotated Mild CS(=O)(=O)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1 ZINC000034389723 HD Annotated Anodyne C[C@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SCCN)C[C@@H]12 ZINC000034392905 HD Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SCCN)C[C@@H]12 ZINC000034392907 HD Annotated Anodyne COc1cnc(OC)n2nc(NS(=O)(=O)c3ccccc3C(F)(F)F)nc12 ZINC000034567344 HD Annotated Anodyne CC(=O)OC[C@@]12C(=O)[C@H](O)[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1[C@@H](O)CC[C@]21CO1 ZINC000034576118 HD Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)OC[C@]32[C@@H](O)CCC(C)(C)[C@H]2C=O)[C@@H]1OC(C)=O ZINC000034585040 HD Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](OC(C)=O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000034614181 HD Annotated Mild C=C(C)C(=O)O[C@H]1C[C@H](C)[C@@H](OC(C)=O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(CO)=C12 ZINC000034636066 HD Annotated Mild CCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCN(C)CC2)o1 ZINC000034636396 HD Annotated Anodyne CC(=O)O[C@H]1CC/C(C)=C\[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@@H](O)[C@H]2[C@@H](C)C(=O)C=C[C@]12C ZINC000034650810 HD Annotated Mild CC(=O)O[C@@H]1C[C@@H](O)[C@]2(C)OC[C@H](C)[C@H]3C(=O)C=C(C)[C@H]4[C@H](C[C@@]1(C)O)O[C@H]2[C@H]43 ZINC000034769084 HD Annotated Mild CNC(=S)N(C)CCNc1c2ccccc2nc2c(C(=O)NCCO)cccc12 ZINC000034774030 HD Annotated Clean C#Cc1cn(C[C@H]2CN(c3cc(F)c(N4CCCOCC4)c(F)c3)C(=O)O2)nn1 ZINC000034775981 HD Annotated Mild C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@]2(O)[C@]3(C)COC(=O)C[C@]12CC(=O)[C@]3(C)O ZINC000034826911 HD Annotated Anodyne CCO[C@@H]1C[C@H]2[C@H](OC(=O)c3ccc(O)c(OC)c3)[C@@H]3O[C@]3(CO)[C@H]2[C@@H](OCC)O1 ZINC000034842911 HD Annotated Anodyne O=C1COc2ccccc2N1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1 ZINC000034843633 HD Annotated Anodyne C[C@@H]1CCCCN1C(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000034858440 HD Annotated Anodyne C[C@H]1CCCCN1C(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000034858441 HD Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(Br)c2)[nH]c1=O ZINC000034987738 HD Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2Br)[nH]c1=O ZINC000034987849 HD Annotated Anodyne O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)NC(=O)NC1CCCCC1 ZINC000003551456 HD Annotated Anodyne O=C(NN1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccc(Br)cc1 ZINC000003583977 HD Annotated Anodyne CC(C)C(=O)Oc1ccc(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)cc1 ZINC000003586091 HD Annotated Anodyne C[C@H](NC(=O)Nc1nnc(C(F)(F)F)s1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000003628182 HD Annotated Anodyne NC(=O)c1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000003648866 HD Annotated Anodyne COc1ccc(CCNC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1OC ZINC000003665109 HD Annotated Anodyne CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCO[C@@H](CO)C5)c1c4n23 ZINC000003775614 HD Annotated Anodyne COc1ccc(C(=O)Nc2nnn[nH]2)c(OC(C)C)c1I ZINC000003784294 HD Annotated Anodyne CN(c1ccc(C(=O)NC[C@@H]2CN(c3ccccc3)CCN2)cc1)S(C)(=O)=O ZINC000003796626 HD Annotated Anodyne CN1Cc2cc(C(=O)N3CCN(c4ccncc4)CC3)ccc2N[C@H](CC(=O)O)C1=O ZINC000003812600 HD Annotated Anodyne C[C@@H](CC(=O)O)N1CC(=O)N(C)c2ccc(C#Cc3ccc(C(=N)N)cc3)cc2C1=O ZINC000003812692 HD Annotated Mild C[C@H]1C(CSc2ccc3c(c2)OCCC3=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000003824386 HD Annotated Anodyne CCNc1cccc(CNC(=O)c2ccc3c(c2)CN(C)C(=O)[C@H](CC(=O)O)N3)n1 ZINC000003827635 HD Annotated Anodyne COc1cccc(OC)c1[C@H]1CN(c2nc(-c3ccncn3)cc(=O)n2C)CCO1 ZINC000003842805 HD Annotated Anodyne CN(C)CCn1c(=O)c2ccc3c4c(nn3CCN(C)C)-c3ccccc3-n(c1=O)c24 ZINC000003842820 HD Annotated Anodyne CC1=N[C@H](CC2=NCC(CCC(=O)O)=C2CC(=O)O)C(CCC(=O)O)=C1CC(=O)O ZINC000003872322 HD Annotated Anodyne in-vivo CC1=N[C@@H](CC2=NCC(CCC(=O)O)=C2CC(=O)O)C(CCC(=O)O)=C1CC(=O)O ZINC000003872323 HD Annotated Anodyne in-vitro Cc1cc2c(c3oc([C@](O)(CO)[C@H]4CO4)cc(=O)c13)C(=O)c1c(O)cccc1C2=O ZINC000003920456 HD Annotated Clean CCOC(=O)/N=N/c1c(C)c(O)c2c(c1O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21 ZINC000003924873 HD Annotated Clean C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CSC(=S)N(C)c3ccccn3)S[C@H]12 ZINC000003927522 HD Annotated Anodyne C/C=C(\C=C(C)\C=C\C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000003929540 HD Annotated Mild CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(=O)CC ZINC000003933033 HD Annotated Anodyne Cc1cc2c(cc1C)[n+]([O-])c(N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)c(C#N)[n+]2[O-] ZINC000003933042 HD Annotated Mild C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](Cc2cc(-c3ccccc3)on2)[C@H](O)[C@@H]1O ZINC000003938786 HD Annotated Anodyne C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](Cc2cc(-c3ccccc3)no2)[C@H](O)[C@@H]1O ZINC000003938787 HD Annotated Anodyne C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](Cc2nc(-c3ccccc3)no2)[C@H](O)[C@@H]1O ZINC000003938791 HD Annotated Anodyne CC1(C)OC[C@@H]([C@H]2O[C@H](On3nnc4ccc(Cl)cc43)[C@@H]3OC(C)(C)O[C@H]23)O1 ZINC000003954564 HD Annotated Anodyne CC[C@@H]1CCCCN1CCCNC(=O)CNC(=O)Cn1ccc2ccccc2c1=O ZINC000003957880 HD Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)CNC(=O)Cn1ccc2ccccc2c1=O ZINC000003957882 HD Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCOCC2)C[C@H]1C ZINC000003959031 HD Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCOCC2)C[C@@H]1C ZINC000003959032 HD Annotated Anodyne Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)n1 ZINC000003959423 HD Annotated Anodyne O=C(O)C[C@H](NC(=O)[C@H]1CCCn2c(/C=C/C3CCNCC3)nnc21)c1cccnc1 ZINC000003963431 HD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N3CCC[C@@H](O)CC3)[C@H](C)[C@H]12 ZINC000003975626 HD Annotated Anodyne CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314 ZINC000003976913 HD Annotated Anodyne in-vivo CC(=O)NC[C@H]1CN(c2cc(F)c(N3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000003986750 HD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](/C=C/c4ccns4)C3)[C@H](C)[C@H]12 ZINC000003990788 HD Annotated Anodyne CN(C)C(=O)CN(C)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1 ZINC000003991482 HD Annotated Anodyne CCO[C@@H]1C[C@H]2[C@H](OC(=O)c3ccc(O)c(OC)c3)[C@@H]3O[C@]3(CO)[C@H]2[C@H](OCC)O1 ZINC000035032729 HD Annotated Anodyne CCO[C@H]1C[C@H]2[C@H](OC(=O)c3ccc(O)c(OC)c3)[C@@H]3O[C@]3(CO)[C@H]2[C@H](OCC)O1 ZINC000035032733 HD Annotated Anodyne Cc1ccc2c(n1)N(CCN1CCOCC1)C[C@H](C(=O)NC1CCC(C)CC1)[C@@H]2O ZINC000035050269 HD Annotated Anodyne Cc1ccc2c(n1)N(CCN1CCOCC1)C[C@@H](C(=O)NC1CCC(C)CC1)[C@@H]2O ZINC000035050270 HD Annotated Anodyne C=C[C@]1(C)[C@@H](C(=C)C=O)[C@@H](OC(=O)[C@@](C)(O)CC)[C@@H]2C(=C)C(=O)O[C@H]1[C@H]2OC(C)=O ZINC000035086405 HD Annotated Reactive C=C[C@]1(C)[C@@H](C(=C)C=O)[C@@H](OC(=O)[C@](C)(O)CC)[C@@H]2C(=C)C(=O)O[C@H]1[C@H]2OC(C)=O ZINC000035086407 HD Annotated Reactive C=C[C@]1(C)[C@@H](C(=C)C=O)[C@@H](OC(=O)C(C)(C)O)[C@@H]2C(=C)C(=O)O[C@H]1[C@H]2OC(C)=O ZINC000035086409 HD Annotated Reactive COC(=O)[C@@H]1C[C@@]23C(=O)[C@H]4[C@H](C)CN5C[C@@H](CCC6=C2[C@@H]1CC6)[C@]3(CO)[C@@H](O)[C@@H]45 ZINC000035241907 HD Annotated Anodyne CC1=C[C@H](O)[C@H]2/C=C/CC[C@H]3O[C@@]3(C)[C@H](O)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@H]13 ZINC000035270715 HD Annotated Anodyne C=C[C@](C)(CC/C=C(\C)[C@@H](O)CC=C(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000035271457 HD Annotated Mild C=C[C@](C)(CC/C=C(\C)[C@H](O)CC=C(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000035271459 HD Annotated Mild C=C[C@@](C)(CC/C=C(\C)[C@@H](O)CC=C(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000035271463 HD Annotated Mild C=C[C@@](C)(CC/C=C(\C)[C@H](O)CC=C(C)C)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000035271466 HD Annotated Mild O=C(C[C@@H]1COCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 ZINC000035273941 HD Annotated Anodyne O=C(C[C@H]1COCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 ZINC000035273947 HD Annotated Anodyne CC(C)(C)NC(=O)CN(C(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1cccnc1 ZINC000035311466 HD Annotated Anodyne COC(=O)Cc1cc(O)n2nc(NCc3cc(Br)ccc3OC)nc2n1 ZINC000035562366 HD Annotated Anodyne O=C1C=C2C([C@@H]3CC4=CC(=O)O[C@@]45C[C@@H]3N3CCC[C@@H]35)=C[C@@H]3C[C@@]2(O1)[C@H]1CCCN31 ZINC000035826831 HD Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(CC(=O)OC)cn1 ZINC000035860287 HD Annotated Anodyne CC(=O)OC[C@@]12[C@H](O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@@]1(O)CCC[C@]21CO1 ZINC000035879179 HD Annotated Anodyne CNc1nc2c(c(-c3cc(F)ccc3Br)c1CN)c(=O)n(C)c(=O)n2C ZINC000035879226 HD Annotated Anodyne CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1CCCS(N)(=O)=O ZINC000035968242 HD Annotated Mild CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](O)[C@@H]3OC(=O)[C@@H]4c5ccoc5C[C@@H]([C@H]43)[C@@]12C ZINC000035968342 HD Annotated Anodyne Cn1c(=O)c2c(-c3cc(F)ccc3Br)c(CN)c(N)nc2n(C)c1=O ZINC000035983869 HD Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(C)CC3)c21 ZINC000036066153 HD Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(C)CC3)c21 ZINC000036067277 HD Annotated Anodyne CCCN1CCN(C)C[C@H](NC(=O)c2cc(Br)c(NC)nc2OC)C1 ZINC000036093090 HD Annotated Anodyne COc1c(N2C[C@H]3NCCC[C@@H]3C2)c(F)cc2c1N(C1CC1)C[C@@H](C(=O)O)C2=O ZINC000036126626 HD Annotated Anodyne COC(=O)C(Cc1ccncc1)(Cc1ccc(NS(=O)(=O)O)cc1)C(=O)OC ZINC000036179150 HD Annotated Anodyne COC(=O)CCCC(Cc1ccc(NS(=O)(=O)O)cc1)(C(=O)OC)C(=O)OC ZINC000036179188 HD Annotated Anodyne CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C(=O)[C@H](N)CCCN=C(N)N ZINC000036215553 HD Annotated Mild CC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CC)CCN2C(=O)[C@H](N)CCCN=C(N)N ZINC000036215555 HD Annotated Mild CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)[N+](C)(C)CC[C@]314 ZINC000036221941 HD Annotated Bother O=C(O)C[C@H](Cc1cc(OCCCNC2=NCCN2)no1)c1ccc2c(c1)OCO2 ZINC000036269241 HD Annotated Anodyne O=C(O)C[C@@H](Cc1cc(OCCCNC2=NCCN2)no1)c1ccc2c(c1)OCO2 ZINC000036269246 HD Annotated Anodyne O=C(NCc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1)Nc1ccncc1 ZINC000036338526 HD Annotated Bother C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@]1(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C(=C)[C@H]21 ZINC000036374454 HD Annotated Mild C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@H]3C[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@H]1OC(C)=O ZINC000036374456 HD Annotated Mild CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NC1CCNCC1)C(=O)OC(C)(C)C ZINC000036378353 HD Annotated Anodyne COc1cc2c(cc1OC)[C@]13CCN(C)CC4=CCO[C@@H]5CC(=O)N2[C@@H]1[C@@H]5[C@H]4CC3=O ZINC000036378856 HD Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN(C)CC4=CCO[C@@H]5CC(=O)N2[C@@H]1[C@@H]5[C@H]4CC3=O ZINC000036378857 HD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1CC2 ZINC000036379119 HD Annotated Anodyne CCN(CC)C(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000036380532 HD Annotated Clean O=C(OCCF)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000036380534 HD Annotated Clean C#CCN1C(=O)CC[C@@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@@H]2N(C)c1ccccc13 ZINC000036381560 HD Annotated Mild COC(=O)[C@H]1C[C@@]23C(=NN=C(SC)[C@@H]2N(C)c2ccc(OC)cc23)N1C(C)=O ZINC000036381845 HD Annotated Clean C[C@@H]1NS(=O)(=O)[C@H]2C[C@@H]3C=C[C@]2(O3)[C@H]1OC(=O)c1ccccc1Br ZINC000036383045 HD Annotated Anodyne C[C@H](NC(=O)Nc1nnc(C(F)(F)F)s1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000036384085 HD Annotated Anodyne COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000036384240 HD Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000036384241 HD Annotated Anodyne CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3CC[C@@H]12 ZINC000036387017 HD Annotated Reactive CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)Nc2ccon2)CC1 ZINC000036387776 HD Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)CNC(=O)[C@@]12C ZINC000036388995 HD Annotated Anodyne C[C@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(Oc2ccccc2)c1 ZINC000036401969 HD Annotated Anodyne in-man C[C@@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(Oc2ccccc2)c1 ZINC000036401970 HD Annotated Anodyne in-man COC(=O)[C@H]1[C@@H](C)OC[C@H]2[C@@H]3N(C(C)=O)c4c(O)cccc4[C@@]34CCN(C)[C@H]4C[C@H]21 ZINC000036443986 HD Annotated Anodyne Nc1nnc(CC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)s1 ZINC000036470803 HD Annotated Reactive COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)NC1=CC(=O)C(OC)=CC1=O ZINC000036966107 HD Annotated Mild CC(C)(C)OC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377795119 HD Annotated Bother CCN(CC)C(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377797416 HD Annotated Bother CN(C)CCOc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377797807 HD Annotated Anodyne CN(C(=O)c1ccccc1)c1cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377806642 HD Annotated Bother CNc1ccc(C(=O)Oc2cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000377812591 HD Annotated Reactive CCOC(=O)N1C[C@@H](C)N([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000377812593 HD Annotated Bother CCOC(=O)N1C[C@H](C)N([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000377812594 HD Annotated Bother CCOC(=O)N1C[C@H](C)N([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000377812595 HD Annotated Bother CCOC(=O)N1C[C@@H](C)N([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000377812596 HD Annotated Bother C=CCOC(=O)N1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377815833 HD Annotated Mild O=C(OCCF)N1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377815890 HD Annotated Bother CN(C)[N+](=O)NOc1cc(OC(=O)c2ccc(N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377815892 HD Annotated Reactive CCOC(=O)N1CCCN([N+](=O)NOc2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000377837506 HD Annotated Bother C=CC(C)(C)c1[nH]c2ccc(C[C@H](O)C(C)(C)O)cc2c1/C=c1\nc(O)c(=C)nc1O ZINC000377853428 HD Annotated Mild COC(=O)[C@@H]1C[C@@]23C(=NN=C(SC)[C@@H]2N(C)c2ccc(OC)cc23)N1C(C)=O ZINC000038142318 HD Annotated Clean COC(=O)[C@@H]1C[C@@]23C(=NN=C(SC)[C@H]2N(C)c2ccc(OC)cc23)N1C(C)=O ZINC000038142319 HD Annotated Clean COC(=O)[C@H]1C[C@@]23C(=NN=C(SC)[C@H]2N(C)c2ccc(OC)cc23)N1C(C)=O ZINC000038142320 HD Annotated Clean CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000038215737 HD Annotated Clean C[C@H]1O[C@@H](O[C@]23C(=Cc4c(Cl)cc(CC#N)cc42)C=C[C@@H]3O)[C@H](O)C(=O)[C@@]1(C)O ZINC000038225712 HD Annotated Mild C=C[C@@]1(C)CC(=O)[C@@H]2[C@@]3(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]2(O)C1=O ZINC000038231772 HD Annotated Mild in-vitro biogenic CC(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@H]21 ZINC000038246293 HD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4cnnn4)cc3)c(F)c2)C(=O)O1 ZINC000038268503 HD Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](O)[C@H](O)[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000038308782 HD Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O)[C@H](O)[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000038308783 HD Annotated Mild CC/C=C\[C@H]1O[C@@H]1C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O ZINC000038321321 HD Annotated Mild C=C1C[C@H]2OC(=O)C3=C[C@@H](O)C[C@@H]4[C@]1(C[C@H](OC(C)=O)c1ccoc1)[C@H](O)OC[C@]342 ZINC000038321921 HD Annotated Mild Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](Cn5cncn5)OC4=O)cc3F)cn2)n1 ZINC000038359541 HD Annotated Anodyne O=C(NC[C@H]1CN(c2ccc([C@H]3C=CS(=O)(=O)CC3)cc2)C(=O)O1)C(F)F ZINC000038388845 HD Annotated Anodyne O=C(NC[C@H]1CN(c2ccc([C@@H]3C=CS(=O)(=O)CC3)cc2)C(=O)O1)C(F)F ZINC000038388846 HD Annotated Anodyne O=C(NC[C@H]1CN(c2ccc([C@@H]3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(F)F ZINC000038389170 HD Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C@@H](C2CCCC2)C3)CC1 ZINC000038397218 HD Annotated Anodyne in-vivo O=C1O[C@@H](CNC(=S)C(F)F)CN1c1ccc(N2C=CS(=O)(=O)CC2)cc1 ZINC000038412321 HD Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(N3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(F)F ZINC000038412351 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c([C@H]3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000038479547 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c([C@@H]3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000038479548 HD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(COC(C)=O)[C@H](CCC(C)(C)[C@H]1C=O)OC3=O ZINC000038797446 HD Annotated Mild CCCCCC[C@@H](O)C(=O)O[C@@H]1[C@@H]2[C@H](CC1(C)C)[C@H](O)[C@@]13O[C@@H]1[C@H](O)[C@@]1(CO1)[C@@]23C ZINC000038839292 HD Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@](O)(CC=C3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@@](O)([C@H](C)O)[C@@]12C ZINC000038839293 HD Annotated Anodyne COC(=O)[C@]12CC[C@@]3(C1)[C@@H](O)CCN1CC[C@@]4(c5cccc(OC)c5N[C@]24O)[C@@H]13 ZINC000038861077 HD Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](O)[C@](C)(O)C[C@@H]2O[C@H]3[C@@H]4[C@H]2C(C)=CC(=O)[C@@H]4[C@@H](C)CO[C@]31C ZINC000038898684 HD Annotated Mild COC[C@@]1(O)CC[C@@H]2C1=C[C@]1(O)C(=C(C(C)C)C(=O)[C@]1(C)OC(C)=O)C[C@H](O)[C@@H]2C ZINC000039064531 HD Annotated Mild C[C@@H]1c2[nH]c(=O)c(C[S@](C)=O)nc2C2=C(CCC2=O)[C@]12C(=O)N(C)c1ccccc12 ZINC000039144105 HD Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)[C@H](O)[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000039180911 HD Annotated Mild CC(=O)O[C@@H]1CC(=O)c2cccc3c2[C@@]12Oc1ccc(O)c4c1[C@](O3)(O2)[C@@H]1O[C@@H]1C4=O ZINC000039181514 HD Annotated Anodyne C[C@H](O)C1=CC[C@@]23OCCN(C)C[C@@]12C[C@@H](O)[C@]12O[C@]4(O)CC[C@@]1(C)[C@H](CC=C23)C4 ZINC000039204326 HD Annotated Anodyne COC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1c1nccc(Oc2cccc(C)c2)n1 ZINC000039300717 HD Annotated Anodyne COC(=O)[C@@H](CO)NC(=O)[C@@H]1CCCN1c1nccc(Oc2cccc(C)c2)n1 ZINC000039300718 HD Annotated Anodyne CN1CCN(C2=Nc3cc(I)ccc3N=C3NN(C)C=C32)CC1 ZINC000039336553 HD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CC[C@H](O)[C@@](C)(COC(C)=O)[C@H]1C=O)COC3=O ZINC000039432628 HD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@H](OC(C)=O)[C@H]21)COC3=O ZINC000039596459 HD Annotated Mild in-vitro biogenic COc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000004005872 HD Annotated Anodyne COc1ccc(C(=O)NC[C@]23C=C[C@H](O2)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000004005873 HD Annotated Anodyne O=C(c1ccco1)N1CCN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC1 ZINC000004033659 HD Annotated Anodyne CCOc1ccc(-n2c(=O)cc(N3CCN(C(=O)c4ccco4)CC3)[nH]c2=O)cc1 ZINC000004033663 HD Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)NCCCN3CCCCC3)sc2n1 ZINC000004035186 HD Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)NCCCN3CCCCC3)sc2n1 ZINC000004035187 HD Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004040871 HD Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000004040873 HD Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)c(OC)c1OC ZINC000004049202 HD Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)c(OC)c1OC ZINC000004049203 HD Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)c(OC)c1OC ZINC000004049204 HD Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)c(OC)c1OC ZINC000004049205 HD Annotated Anodyne COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000004049218 HD Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000004049219 HD Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000004049220 HD Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000004049221 HD Annotated Bother COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)c(OC)c1 ZINC000004081079 HD Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCO)c(OC)c1 ZINC000004081081 HD Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)c(OC)c1 ZINC000004081083 HD Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCO)c(OC)c1 ZINC000004081084 HD Annotated Anodyne CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000004097214 HD Annotated Anodyne in-vitro C=C1[C@@H]2CC[C@@H]3[C@@H](OC(=O)CC)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000004097875 HD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(COC(C)=O)[C@H](CCC(C)(C)[C@H]1C=O)OC3=O ZINC000004097907 HD Annotated Mild in-vitro biogenic C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)C[C@]1(CO1)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@]21O ZINC000004098088 HD Annotated Mild in-vitro biogenic C=C/C1=C/[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000004098640 HD Annotated Mild in-vitro biogenic O=C(CCS(=O)(=O)c1ccc(Br)cc1)N1CCC2(CC1)OCCO2 ZINC000004110445 HD Annotated Anodyne CN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000004110519 HD Annotated Anodyne CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)C[C@H]1NC(=O)NC1=O ZINC000004128396 HD Annotated Anodyne CC[C@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)C[C@H]1NC(=O)NC1=O ZINC000004128399 HD Annotated Anodyne CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000004128400 HD Annotated Anodyne CC[C@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000004128403 HD Annotated Anodyne CCN(CC)CCCNC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000004128968 HD Annotated Anodyne CCN(CC)CCCNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000004128969 HD Annotated Anodyne Cc1nc(SCC(=O)Nc2ccc(F)cc2F)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004138781 HD Annotated Anodyne Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(-c3cccs3)nc2n(C)c1=O ZINC000004139182 HD Annotated Anodyne COc1ccc([N+](=O)[O-])c(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 ZINC000004177394 HD Annotated Bother COc1ccc([N+](=O)[O-])c(NC(=O)NCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 ZINC000004177399 HD Annotated Bother COc1ccc(N2CCN(C(=O)CCCN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)CC2)cc1 ZINC000004192374 HD Annotated Clean COc1ccc(N2CCN(C(=O)CCCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)CC2)cc1 ZINC000004192375 HD Annotated Clean COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc21 ZINC000004238282 HD Annotated Anodyne O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1 ZINC000004238375 HD Annotated Anodyne COCCn1c(=O)c(CCc2ccccc2)nc2cnc(N3CCN(C)CC3)nc21 ZINC000004238390 HD Annotated Anodyne CN1CCN(c2ncc3nc(CCc4ccccc4)c(=O)n(CCC#N)c3n2)CC1 ZINC000004238463 HD Annotated Mild CN1CCN(c2ncc3nc(-c4cccs4)c(=O)n(C[C@H]4CCCO4)c3n2)CC1 ZINC000004238534 HD Annotated Anodyne COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc21 ZINC000004238559 HD Annotated Anodyne COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc21 ZINC000004238703 HD Annotated Anodyne COc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(C[C@H]3CCCO3)c2=O)cc1 ZINC000004238877 HD Annotated Anodyne CN1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(CCC#N)c3n2)CC1 ZINC000004238991 HD Annotated Mild COCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cnc(N3CCOCC3)nc21 ZINC000004239091 HD Annotated Anodyne COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCN(C)CC3)nc21 ZINC000004239120 HD Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)c(OC)c1 ZINC000004296224 HD Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCOCCO)c(OC)c1 ZINC000004296225 HD Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)c(OC)c1 ZINC000004296227 HD Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCOCCO)c(OC)c1 ZINC000004296228 HD Annotated Anodyne CCCCCCC1=Cc2c/c(=C3/NN/C(=C4/C=CC=CC4=O)O3)c(=O)oc2=CC1=O ZINC000004337900 HD Annotated Mild O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)NC[C@@H]1CCCO1 ZINC000004354393 HD Annotated Anodyne O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)NC[C@H]1CCCO1 ZINC000004354404 HD Annotated Anodyne Cc1ccc(NC(=O)c2cnc(SCC(=O)N3CCOCC3)n(C)c2=O)cc1 ZINC000004376196 HD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](c4ccc(CN)cc4)C3)[C@H](C)[C@H]12 ZINC000004394069 HD Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCOCC3)c21 ZINC000004436450 HD Annotated Anodyne COc1ccc(N2NC(=O)N[C@]3(CSC4=C3C(=O)c3ncccc3C4=O)C2=O)cc1 ZINC000040379418 HD Annotated Mild COc1ccc(N2NC(=O)N[C@@]3(CSC4=C3C(=O)c3ncccc3C4=O)C2=O)cc1 ZINC000040379419 HD Annotated Mild CC/C=C\[C@H](O)CC1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O ZINC000040379868 HD Annotated Mild CCCNC(=S)SCN1C(=O)CC[C@H](N2C(=O)c3ccccc3C2=O)C1=O ZINC000040379879 HD Annotated Anodyne CCCNC(=S)SCN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O ZINC000040379880 HD Annotated Anodyne CN(C)/[N+]([O-])=N/Oc1cc(O/N=[N+](\[O-])N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000040380599 HD Annotated Clean Cn1c(C(=O)NCCCc2c[nH]c(N)n2)nc(Br)c1Br ZINC000040395130 HD Annotated Anodyne CC(=O)NCC(=O)CN1CCN(CCc2ccc(-c3ncsc3N)cc2)CC1 ZINC000040395780 HD Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@](O)(CC=C3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@@](O)(C(C)=O)[C@@]12C ZINC000040401256 HD Annotated Anodyne CC/C=C\[C@@H]1O[C@H]1C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O ZINC000040402216 HD Annotated Mild COc1cccc(CC(=O)N[C@@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@@H]32)c1 ZINC000040405492 HD Annotated Anodyne CC(CO)(CO)NC[C@H](O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12 ZINC000040410526 HD Annotated Bother CC(CO)(CO)NC[C@@H](O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12 ZINC000040410529 HD Annotated Bother CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C2=CC(=O)c3c(O)ccc(O)c3C2=O)cc1 ZINC000040412481 HD Annotated Mild CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C2=CC(=O)c3c(O)ccc(O)c3C2=O)cc1 ZINC000040412484 HD Annotated Mild CC[C@H]1[C@H]2[C@@H](CCCN3C([C@@H]4C[C@H](C)C(=O)O4)=CC(=O)[C@@]23O)O[C@]12C=C(C)C(=O)O2 ZINC000040414428 HD Annotated Mild in-vitro biogenic Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCN(C(=O)c3cccs3)CC2)s1 ZINC000040420659 HD Annotated Bother COCCNCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CCCC3)O2)nn1 ZINC000040421023 HD Annotated Mild O=C1c2cccc3c2[C@@]2(Oc4ccc(O)c5c4[C@](O3)(O2)[C@@H]2O[C@@H]2[C@@H]5O)[C@@H]2CCC[C@@]12O ZINC000040423524 HD Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@@H](C)[C@](C)(CC[C@H]2CCOC2=O)[C@H]2C[C@@H]3C[C@]4(CO4)[C@]12C(=O)O3 ZINC000040423595 HD Annotated Anodyne CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCNCC2)o1 ZINC000040423928 HD Annotated Anodyne CC(C)Nc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCNCC2)o1 ZINC000040424040 HD Annotated Anodyne COc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCN3CCN(C)CC3)C1=O)CCO2 ZINC000040424061 HD Annotated Mild CC(C)(C)[C@H](NC(=O)n1c(=O)n(CCC2(O)CCOCC2)c2ccccc21)C(N)=O ZINC000040424669 HD Annotated Anodyne O=C1CN(CCCc2ncc[nH]2)C(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040424770 HD Annotated Mild O=C1CN(CCCc2ncc[nH]2)C(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)N1 ZINC000040424772 HD Annotated Mild CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)c(O)cc4[C@@]34CCN(C(=O)[C@@H]3O[C@@H]31)[C@@H]24 ZINC000040430605 HD Annotated Anodyne in-vitro C=CS(=O)(=O)[C@H]1C[C@]2(C(=O)OC)CCC(=O)N2[C@H]1c1ccc(OC)c(OC)c1 ZINC000040430815 HD Annotated Anodyne CC(F)(F)c1cc2c(cc1S(N)(=O)=O)S(=O)(=O)N[C@H](Cc1ccccc1)N2 ZINC000040431201 HD Annotated Anodyne CC(F)(F)c1cc2c(cc1S(N)(=O)=O)S(=O)(=O)N[C@@H](Cc1ccccc1)N2 ZINC000040431203 HD Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)c3c(O)c(/N=C4/C=CN=N4)c(C)c(O)c3N1C[C@@H]1N[C@@H]12 ZINC000040447796 HD Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNc4ccccc4)C3)[C@H](C)[C@H]12 ZINC000040465800 HD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](COc4ccccc4)C3)[C@H](C)[C@H]12 ZINC000040465858 HD Annotated Anodyne Cc1c(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)c(=O)n(-c2ccccc2)n1C ZINC000040466078 HD Annotated Mild Cc1c(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)c(=O)n(-c2ccccc2)n1C ZINC000040466080 HD Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](c4cccc(CN)c4)C3)[C@H](C)[C@H]12 ZINC000040504891 HD Annotated Anodyne CNCc1ccc([C@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)o1 ZINC000040505964 HD Annotated Anodyne N[C@@H]1C[C@@H](N)[C@@H](O)[C@H](O)[C@H]1OCSc1ccnc2cc(C(F)(F)F)ccc12 ZINC000040548221 HD Annotated Anodyne N[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1OCSc1ccnc2cc(C(F)(F)F)ccc12 ZINC000040548223 HD Annotated Anodyne C/C(S)=N/C[C@H]1CN(c2ccc(N3CCN(CC(=N)NO)CC3)c(F)c2)C(=O)O1 ZINC000040556695 HD Annotated Mild CC(C)NC(=O)N1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cn2)CC1 ZINC000040563975 HD Annotated Bother O=C(NC[C@H]1CN(c2ccc([C@H]3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(F)F ZINC000040565747 HD Annotated Anodyne O=C(c1cccnc1)N1CCN(/[N+]([O-])=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000040566918 HD Annotated Clean CN1CCC(NC(=O)c2cn3ccnc3c(N3CCN(c4ccccn4)CC3)n2)CC1 ZINC000040567000 HD Annotated Anodyne CCN(CC)C(=O)N1CCN(/[N+]([O-])=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000040567198 HD Annotated Clean O=C1O[C@@H](C/N=C/NN[N+](=O)[O-])CN1c1ccc(N2Cc3cccnc3C2)c(F)c1 ZINC000040567228 HD Annotated Mild C[C@H]1C2=C(C(=O)N1C)[C@H](c1ccc(F)c(Br)c1)[C@H]1C(=O)COC[C@@H]1N2 ZINC000040576065 HD Annotated Anodyne C[C@H]1C2=C(C(=O)N1C)[C@H](c1ccc(F)c(Br)c1)[C@@H]1C(=O)COC[C@@H]1N2 ZINC000040576067 HD Annotated Anodyne C[C@H]1C2=C(C(=O)N1C)[C@H](c1ccc(F)c(Br)c1)[C@H]1C(=O)COC[C@H]1N2 ZINC000040576068 HD Annotated Anodyne C[C@H]1C2=C(C(=O)N1C)[C@H](c1ccc(F)c(Br)c1)[C@@H]1C(=O)COC[C@H]1N2 ZINC000040576070 HD Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@@H](CCS(C)(=O)=O)N1CCOCC1 ZINC000040617425 HD Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@H](CCS(C)(=O)=O)N1CCOCC1 ZINC000040617427 HD Annotated Anodyne C[C@@H]1CC/C(=N/Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ncc(C(=O)O)c(=O)n21 ZINC000040631614 HD Annotated Mild C[C@H]1CC/C(=N\Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ncc(C(=O)O)c(=O)n21 ZINC000040631616 HD Annotated Mild CCN(CC)C(=O)C[C@@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCOCC1 ZINC000040631888 HD Annotated Anodyne CCN(CC)C(=O)C[C@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCOCC1 ZINC000040631890 HD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](Cc4ccccc4)C3)[C@H](C)[C@H]12 ZINC000040632306 HD Annotated Anodyne C=C(CN(CC(=C)S(C)(=O)=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O)S(C)(=O)=O ZINC000040651547 HD Annotated Mild C=C(CN(CC(=C)S(C)(=O)=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O)S(C)(=O)=O ZINC000040651549 HD Annotated Mild C=C(CN(CC(=C)S(C)(=O)=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1O)S(C)(=O)=O ZINC000040651551 HD Annotated Anodyne C=C(CN(CC(=C)S(C)(=O)=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1O)S(C)(=O)=O ZINC000040651553 HD Annotated Anodyne CN(CC#CCN1CCCC1)C(=O)CCCNC(=O)CCNC(=O)OC(C)(C)C ZINC000040720106 HD Annotated Mild O=C(NC[C@H]1CN(c2ccc(N3C=CS(=O)(=O)CC3)cc2)C(=O)O1)C(F)F ZINC000040762471 HD Annotated Anodyne O=C1O[C@@H](C/N=C/NN[N+](=O)[O-])CN1c1ccc(-n2cc3cccnc3c2)c(F)c1 ZINC000040764180 HD Annotated Mild C/C=C(\C=C(C)\C=C\C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000040771761 HD Annotated Mild CCOC(=S)/C=N\Cc1ccc(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1 ZINC000040791246 HD Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](c4ccc(CN)cc4)C3)[C@H](C)[C@H]12 ZINC000040791399 HD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@@H](c4ccc(CN)s4)C3)[C@H](C)[C@H]12 ZINC000040800934 HD Annotated Anodyne COCCN(CCOC)[C@H](CC(=O)OC)C(=O)Oc1c(OC)cc(C)cc1OC ZINC000040812882 HD Annotated Anodyne COCCN(CCOC)[C@@H](CC(=O)OC)C(=O)Oc1c(OC)cc(C)cc1OC ZINC000040812884 HD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C(=O)[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(COC(C)=O)[C@]1(C)[C@]21CO1 ZINC000040822183 HD Annotated Mild C=C(C)C(=O)O[C@@H]1C(=O)[C@H]2O[C@H]3C=C(C)C(=O)C[C@]3(COC(C)=O)[C@]1(C)[C@]21CO1 ZINC000040822186 HD Annotated Mild COCCOCCOc1c(O)ccc(C(=O)Oc2cc(C(=O)O)cc(O)c2O)c1O ZINC000040833909 HD Annotated Clean O=C1Nc2ccccc2O/C1=C\c1ccc(/C=C/C(=O)N2CCN(CCO)CC2)o1 ZINC000040846494 HD Annotated Anodyne Cc1ccc(N2NC(=O)N[C@]3(CSC4=C3C(=O)c3ncccc3C4=O)C2=O)cc1 ZINC000040848337 HD Annotated Mild Cc1ccc(N2NC(=O)N[C@@]3(CSC4=C3C(=O)c3ncccc3C4=O)C2=O)cc1 ZINC000040848338 HD Annotated Mild CN(C)/[N+]([O-])=N/Oc1cc(O/N=[N+](\[O-])N2CCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000040848418 HD Annotated Clean COc1cc(C)c(C(=O)O[C@H]2CC3=C(COC(/C=C/CO)=C3)C(=O)[C@@]2(C)O)c(O)c1 ZINC000040863584 HD Annotated Mild CC(=O)[C@@](C)(O)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(C(C)=O)[C@H]12 ZINC000040866001 HD Annotated Mild CC(=O)[C@](C)(O)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(C(C)=O)[C@H]12 ZINC000040866003 HD Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cc(/C=N/NC4=NCCN4)ccc3oc2c1 ZINC000040867354 HD Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC(CO)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(C(C)=O)[C@H]12 ZINC000040872950 HD Annotated Mild CCC[C@H]1C(=O)N([C@@H](CCC(=O)OC)Sc2ccc(N)cc2)S(=O)(=O)N1C ZINC000040876003 HD Annotated Anodyne CCC[C@H]1C(=O)N([C@H](CCC(=O)OC)Sc2ccc(N)cc2)S(=O)(=O)N1C ZINC000040876005 HD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@]2(O)OC(=O)C(C)=C2C[C@]2(C)[C@@H](C)[C@@H](OC(C)=O)C[C@H]3O[C@@]312 ZINC000040876289 HD Annotated Anodyne in-vitro biogenic CNc1scnc1-c1ccc(CCN2CCN(CC(=O)CNC(C)=O)CC2)cc1 ZINC000040891712 HD Annotated Anodyne CC(=O)NCC(=O)CN1CCN(CCc2ccc(-c3nc(C)sc3N)cc2)CC1 ZINC000040891713 HD Annotated Anodyne CC(=O)NCC(=O)CN1CCN(CCc2ccc(-c3ncsc3O)cc2)CC1 ZINC000040891714 HD Annotated Anodyne CC(=O)O[C@H](c1ccccc1)c1cc(=O)c(C(=O)NC(=O)CC(C)C)cn1CCO ZINC000040891746 HD Annotated Anodyne CC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(=O)NC(=O)CC(C)C)cn1CCO ZINC000040891747 HD Annotated Anodyne N[C@@H](CC(=O)NC1(c2nccs2)CCS(=O)(=O)CC1)Cc1ccccc1F ZINC000040891790 HD Annotated Anodyne Cc1cc(F)ccc1NCc1cc(C(=O)N2CC[C@H](O)C2)cc(N2CC[C@H](O)C2)n1 ZINC000040892087 HD Annotated Anodyne Cc1cc(F)ccc1NCc1cc(C(=O)N2CC[C@H](O)C2)cc(N2CC[C@@H](O)C2)n1 ZINC000040892089 HD Annotated Anodyne CC(=O)O[C@@H]1CO[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@H]1O ZINC000040892276 HD Annotated Anodyne Cn1c(Cc2nc(-c3cnccn3)no2)nnc1Sc1ncc([N+](=O)[O-])s1 ZINC000040893772 HD Annotated Clean CC(C)(C)OC(=O)NCCNc1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000040901229 HD Annotated Anodyne CC(C)(C)OC(=O)NCCNc1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000040901232 HD Annotated Anodyne CC(=O)NCC(=O)CN1CCN(CCc2ccc(-c3ncsc3C)cc2)CC1 ZINC000040913982 HD Annotated Anodyne CO[C@@]1(C(=O)c2ccccc2)NC(=O)[C@]2(OC(/C=C/C=C/C(C)=O)=C(C)C2=O)[C@H]1O ZINC000040915158 HD Annotated Mild CC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@H]4O[C@@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040917652 HD Annotated Anodyne CC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@H]4O[C@@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040917653 HD Annotated Anodyne CC(=O)O[C@]1(C)CC[C@@H]2[C@@H]3[C@@H]4O[C@@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040917654 HD Annotated Anodyne CC(=O)O[C@]1(C)CC[C@H]2[C@@H]3[C@@H]4O[C@@H](C[C@@](C)(O)[C@H](O)CC[C@]4(C)OC(=O)[C@@H]2C)[C@@H]31 ZINC000040917655 HD Annotated Anodyne CNC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(OC(F)(F)F)cc21 ZINC000040918763 HD Annotated Mild CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCNCCOC)nn2)O1 ZINC000040919041 HD Annotated Mild COCCNCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)NC(C)C)O2)nn1 ZINC000040919133 HD Annotated Mild CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN3CCOCC3)nn2)O1 ZINC000040934247 HD Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)CC(=O)/N=c2/scc(CC(=O)O)n2O)cc1 ZINC000040935539 HD Annotated Anodyne O=C(O)Cc1cs/c(=N/C(=O)CS(=O)(=O)c2ccc3ccccc3c2)n1O ZINC000040935939 HD Annotated Anodyne CCOC(=O)C#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CCCC3)O2)nn1 ZINC000040936645 HD Annotated Mild CN1CCN(CCCN2C(=O)CN(/N=C3\CCOc4ccc(Cl)cc43)C2=O)CC1 ZINC000040937756 HD Annotated Mild O=C(N/N=C/c1ccc2c(c1)no[n+]2[O-])c1ccc(I)cc1 ZINC000040949562 HD Annotated Reactive CO[C@@]1(C(=O)c2ccccc2)N=C(O)[C@]2(OC(CN3CCCCC3)=C(C)C2=O)[C@H]1O ZINC000040949875 HD Annotated Mild CC(=O)O[C@@H]1[C@@H](C)[C@](C)(CC[C@H]2CCOC2=O)[C@H]2C[C@@H]3C[C@]4(CO4)[C@]2([C@@H](O)O3)[C@H]1O ZINC000040950454 HD Annotated Anodyne CC/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(C[C@](OC)(C(=O)c3ccccc3)NC2=O)O1 ZINC000040951738 HD Annotated Mild CN1CCN(c2ccc(-c3c4c(N)ncnc4nc4nc(S)[nH]c(=O)c34)cc2)CC1 ZINC000040953061 HD Annotated Bother CCCC[C@H](O)/C=C/C(=O)O[C@H]1[C@H](C)O[C@](C)([C@@H](O)[C@@H](C)C(=O)O)[C@@H](O)[C@@H]1C ZINC000040953128 HD Annotated Anodyne CCN(CC)CCN1CC(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000040954624 HD Annotated Mild CCN(CC)CCN1CC(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000040954626 HD Annotated Mild CC(C)OCCCNc1nc(OCCCCNC(=N)N)cc(OCCN(C)C)n1 ZINC000040955146 HD Annotated Anodyne COCCOCCOC(=O)c1cc(O)c(O)c(OC(=O)c2ccc(O)c(O)c2O)c1 ZINC000040973351 HD Annotated Clean CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@@]1(O)[C@H]3OC(C)=O ZINC000040973917 HD Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cccc(/C=N\NC4=NCCN4)c3oc2c1 ZINC000040974399 HD Annotated Mild CC(C)C(=O)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000040974458 HD Annotated Anodyne CCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000040974523 HD Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3ccc(/C=N/NC4=NCCN4)cc3oc2c1 ZINC000040976598 HD Annotated Mild COCCOCCOc1c(C(=O)Oc2cc(C(=O)O)cc(O)c2O)ccc(O)c1O ZINC000040976779 HD Annotated Clean CC[N+]1([O-])C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@@H](O)[C@@H]32)[C@H]41 ZINC000042852781 HD Annotated Bother C=CCn1c(S)n[n+]2c(N)c(C#N)c(-c3ccc(N4CCOCC4)cc3)c(C#N)c12 ZINC000042924261 HD Annotated Mild C[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@@]21C[C@H](n2cnc3ccccc3c2=O)C(=O)O1 ZINC000042989972 HD Annotated Anodyne CC(=O)N1CCN(c2ccc(N3C[C@H](Cn4cc(C)nn4)OC3=O)cc2F)CC1 ZINC000043010357 HD Annotated Anodyne C#CCOC(=O)N1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000043015817 HD Annotated Mild CCn1c(S)n[n+]2c(N)c(C#N)c(-c3ccc(N4CCOCC4)cc3)c(C#N)c12 ZINC000043017987 HD Annotated Mild O=S(=O)(Cc1nnc(S)s1)c1c[nH]cc1S(=O)(=O)c1ccccc1 ZINC000043018117 HD Annotated Anodyne COc1c([C@]2(O)COc3cc(O)cc(O)c3C2=O)ccc2c1C=C[C@](C)(CO)O2 ZINC000043019421 HD Annotated Anodyne CO/N=C(\N)c1cc(OCCCCCOc2ccnc(/C(N)=N/OC)c2)ccn1 ZINC000043019880 HD Annotated Mild CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CCO)CC3)oc(=O)c12 ZINC000043022725 HD Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OCC(N)=O)c3ccccc32)nc2ccccc21 ZINC000043023042 HD Annotated Mild Cc1ccc(S(=O)(=O)c2c[nH]cc2S(=O)(=O)Cc2n[nH]c(=S)n2N)cc1 ZINC000043023716 HD Annotated Anodyne O=C(OCCF)N1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000043023884 HD Annotated Clean O=C1N=C(O)/C(=C/[C@@H](O)CNC(=O)c2cc(Br)c(Br)[nH]2)N1 ZINC000043059703 HD Annotated Anodyne CCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4cc(C)nn4)OC3=O)cc2F)CC1 ZINC000043059942 HD Annotated Anodyne CN1CCN(c2ccc(-c3c(C#N)c(N)[n+]4nc(S)n(C)c4c3C#N)cc2)CC1 ZINC000043065562 HD Annotated Mild CS(=O)(=O)Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O ZINC000043076203 HD Annotated Mild CO/N=C(\N)c1ccc(OCCCCCOc2ccc(/C(N)=N\OC)cn2)nc1 ZINC000043077725 HD Annotated Mild N[C@H]1CN(c2cc(N3CCC(F)(F)C3)ncn2)C[C@@H]1N1CC(F)(F)CCC1=O ZINC000043198493 HD Annotated Anodyne CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@](C)(O)c3cccc(OC)c3)nc21 ZINC000043202182 HD Annotated Mild CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#C[C@@](C)(O)c3cccc(OC)c3)nc21 ZINC000043202183 HD Annotated Mild CNC(=O)c1c(N)n(C2CCCCC2)c2nc(C#C[C@](C)(O)COC)ccc2c1=O ZINC000043202186 HD Annotated Mild CNC(=O)c1c(N)n(C2CCCCC2)c2nc(C#C[C@@](C)(O)COC)ccc2c1=O ZINC000043202187 HD Annotated Mild Nc1cc(Cn2c(C(=O)O)c(N3CCNS3(=O)=O)c3cc(Cl)ccc32)ccn1 ZINC000043204832 HD Annotated Anodyne C[C@H](O)[C@H](O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@@]2(O)[C@]2(C)CCCC(C)(C)[C@H]12 ZINC000043509797 HD Annotated Anodyne C[C@H](O)[C@@H](O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@@]2(O)[C@]2(C)CCCC(C)(C)[C@H]12 ZINC000043509803 HD Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@@H](O)COC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000043663992 HD Annotated Mild OC[C@@H](O)[C@H](O)[C@@H](O)COC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000043663997 HD Annotated Mild NC(=O)CN(CC(N)=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000044086653 HD Annotated Reactive COc1cc(C/C(=N\O)C(=O)NCCS)cc(I)c1OC ZINC000044091375 HD Annotated Mild COc1cc2c(cc1OC)[C@@]13CCN(C)CC4=CCO[C@H]5CC(=O)N2[C@H]1[C@H]5[C@H]4CC3=O ZINC000044602305 HD Annotated Anodyne in-vitro biogenic N#CCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000004533693 HD Annotated Mild N#CCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000004533694 HD Annotated Mild N#CCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000004533695 HD Annotated Mild N#CCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cnccn1 ZINC000004533696 HD Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004533714 HD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004533716 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004533718 HD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004533719 HD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004546454 HD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004546459 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004546463 HD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004546466 HD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004546468 HD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004546472 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004546475 HD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004546478 HD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000004546994 HD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004547226 HD Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004547230 HD Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004547233 HD Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004547235 HD Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004547240 HD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004547243 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004547246 HD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004547248 HD Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c3ccco3)C2)c1 ZINC000004547955 HD Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c3ccco3)C2)c1 ZINC000004547958 HD Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c3ccco3)C2)c1 ZINC000004547961 HD Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3cnccn3)C2)c1 ZINC000004548079 HD Annotated Mild COc1cccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3cnccn3)C2)c1 ZINC000004548082 HD Annotated Mild COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3cnccn3)C2)c1 ZINC000004548085 HD Annotated Mild COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3cnccn3)C2)c1 ZINC000004548089 HD Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004612087 HD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004612088 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004612089 HD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004612090 HD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004612132 HD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004612133 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004612134 HD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000004612135 HD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004612139 HD Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004612140 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004612141 HD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004612142 HD Annotated Anodyne CCc1ccc(N2C(=O)C[C@@H](N(C[C@@H]3CCCO3)C(=O)/C=C/C(=O)O)C2=O)cc1 ZINC000004652523 HD Annotated Anodyne CCc1ccc(N2C(=O)C[C@@H](N(C[C@H]3CCCO3)C(=O)/C=C/C(=O)O)C2=O)cc1 ZINC000004652525 HD Annotated Anodyne CC[C@@]1(O)CC(=O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC ZINC000004654749 HD Annotated Clean in-vitro CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC ZINC000004654750 HD Annotated Clean in-vitro COCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000004660444 HD Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCOCC4)c(=O)c3c2)CC1 ZINC000004660446 HD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC[C@@H]3CCCO3)c(=O)c2c1 ZINC000004687638 HD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC[C@H]3CCCO3)c(=O)c2c1 ZINC000004687639 HD Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCCN(C)C)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733516 HD Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCCN(C)C)[C@H](c1cccnc1)N(C)C2=O ZINC000004733520 HD Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCCN(C)C)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733523 HD Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCCN(C)C)[C@H](c1cccnc1)N(C)C2=O ZINC000004733526 HD Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCOCC1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733809 HD Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCOCC1)[C@H](c1cccnc1)N(C)C2=O ZINC000004733812 HD Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCOCC1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004733813 HD Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCOCC1)[C@H](c1cccnc1)N(C)C2=O ZINC000004733814 HD Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCOCC3)c21 ZINC000004758275 HD Annotated Anodyne COc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004839349 HD Annotated Anodyne COc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004839351 HD Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000004872564 HD Annotated Anodyne O=C(NC[C@H]1CCCO1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000004872574 HD Annotated Anodyne CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C ZINC000004877418 HD Annotated Mild O=C1CN(S(=O)(=O)c2cccc3cccnc23)CC(=O)N1CCc1ccccc1 ZINC000004880034 HD Annotated Anodyne Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1F ZINC000004882295 HD Annotated Anodyne Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1F ZINC000004882297 HD Annotated Anodyne Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000004884614 HD Annotated Anodyne COCCNC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2ccc(Cl)cc21 ZINC000004906043 HD Annotated Anodyne Cc1nc2n(n1)-c1nnc(CCCC(=O)N3CCC(C(N)=O)CC3)n1-c1ccccc1-2 ZINC000004906248 HD Annotated Anodyne CN(C)CCCNC(=S)NCCNc1nc2cc3c(cc2cc1C#N)OCO3 ZINC000004964330 HD Annotated Mild CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(OCC)cc2)[C@H]3C1=O ZINC000004971902 HD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2ccc(OCC)cc2)[C@H]3C1=O ZINC000004971903 HD Annotated Anodyne O=C(CN1CCCN(C(=O)CNC(=O)C(F)(F)F)CC1)Nc1ccc(F)cc1F ZINC000045245606 HD Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3cnoc3C)CO[C@H]12 ZINC000045245925 HD Annotated Anodyne Cc1c2c(nn1CC(=O)N/N=C/c1cccnc1)-c1ccccc1S(=O)(=O)N2C ZINC000045245968 HD Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1nnn(-c3ccc(C(F)(F)F)cc3)n1)C2 ZINC000045246083 HD Annotated Bother Cc1c2c(nn1CC(=O)N/N=C/c1ccccn1)-c1ccccc1S(=O)(=O)N2C ZINC000045254634 HD Annotated Reactive O=C1O[C@@H](CO)CN1c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)c(F)c1 ZINC000045255084 HD Annotated Bother N=C1ON=C(N)[C@H]1[C@H](CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000045255973 HD Annotated Anodyne N=C1ON=C(N)[C@H]1[C@@H](CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000045255975 HD Annotated Anodyne CN(C)C(=O)N1C[C@@H]2c3cn[nH]c3C[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045256933 HD Annotated Anodyne CN(C)C(=O)N1C[C@@H]2Cc3[nH]ncc3[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045256937 HD Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccncc3)CO[C@H]12 ZINC000045258940 HD Annotated Anodyne Cc1cccc(C)c1NC(=O)CN1CCCN(C(=O)CNC(=O)c2ccco2)CC1 ZINC000045259810 HD Annotated Anodyne NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1 ZINC000045260060 HD Annotated Bother CN(C)CC(=O)NCc1cccc2cc3cccc(CNC(=O)CN(C)C)c3nc12 ZINC000045285537 HD Annotated Bother N=C(N)N/N=C1\CCc2c(NS(=O)(=O)c3c(Cl)nc4sccn34)cccc21 ZINC000045289464 HD Annotated Mild N=C(N)N/N=C1\CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21 ZINC000045290611 HD Annotated Mild CC(=O)Oc1ccccc1C(=O)OCC(=O)OCCSSCCO[N+](=O)[O-] ZINC000045298940 HD Annotated Reactive COc1ccc(NC2=CC(=O)c3c(c(C)nc4c3c(=O)n(C)c(=O)n4C)C2=O)cc1 ZINC000045301293 HD Annotated Mild Cc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N ZINC000045302409 HD Annotated Anodyne Cc1ccccc1N(CC(=O)NC[C@H]1CCCO1)C(=O)c1snc(C(N)=O)c1N ZINC000045302410 HD Annotated Anodyne N=C(N)N/N=C1\CCc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21 ZINC000045303165 HD Annotated Mild CC(C)(C)NC(=O)[C@@H](C1CC1)N1C(=O)c2cc(O)ccc2NC(=O)[C@@H]1CCCCN ZINC000045318306 HD Annotated Anodyne CC(C)(C)NC(=O)[C@H](C1CC1)N1C(=O)c2cc(O)ccc2NC(=O)[C@@H]1CCCCN ZINC000045318310 HD Annotated Anodyne Cn1c(=O)/c(=C/N=c2\ccccn2C)s/c1=C\c1sc2ccc(F)cc2[n+]1C ZINC000045318657 HD Annotated Anodyne COCc1n[nH]nc1CNS(=O)(=O)c1ccc(I)cc1 ZINC000045319948 HD Annotated Anodyne CCc1cc2c(N3CCN(C(C)=O)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 ZINC000045334416 HD Annotated Anodyne O=c1[nH]ccc2nc(N[C@@H]3CCNC3)nc(Nc3ccc4c(c3)S(=O)(=O)CC4)c12 ZINC000045338357 HD Annotated Anodyne O=C(CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)NCC(=O)OCc1ccccc1 ZINC000045339648 HD Annotated Anodyne COCCn1c(=O)c2c(nc(Cc3cccs3)n2C)n(Cc2ccco2)c1=O ZINC000045349844 HD Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C(=O)OC(C)C)CC(=O)N1[C@H]2CO ZINC000045351683 HD Annotated Anodyne CCCN(S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1 ZINC000045357347 HD Annotated Clean Cn1c(C(=O)N2CCC(O)=C3N=C(N)N=C32)cc(Br)c1Br ZINC000045358745 HD Annotated Anodyne CCN1CN(Cc2cn(CC(=O)c3ccc(F)cc3F)nn2)S(=O)(=O)N1CC ZINC000045364662 HD Annotated Anodyne O=C(N[C@H]1C=C[C@@H](O)C1)OC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC000045367158 HD Annotated Anodyne CC(C)(C)S(=O)(=O)c1ccc2c(c1)C(Nc1cncc(F)c1)=C(C(N)=O)NN2 ZINC000045390469 HD Annotated Anodyne NC(=O)Cn1cnc(C[C@@H](CO)Nc2nccc(-c3ccc4ccccc4c3)n2)c1 ZINC000045391128 HD Annotated Anodyne CNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCN(C)CC2)o1 ZINC000045495141 HD Annotated Anodyne O=C1C2=C(C(=O)c3ncccc31)[C@]1(CS2)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000045498247 HD Annotated Mild O=C1C2=C(C(=O)c3ncccc31)[C@@]1(CS2)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000045498249 HD Annotated Mild CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000046704771 HD Annotated Anodyne CCCCCCCCCCCCCCNS(=O)(=O)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000473086074 HD Annotated Mild CN1CCC[C@H](c2cc(N=c3ccnc(N(C)C[C@@H]4CC[C@@H](N)CC4)[nH]3)n[nH]2)C1=O ZINC000473089036 HD Annotated Anodyne CN1CCC[C@@H](c2cc(N=c3ccnc(N(C)C[C@@H]4CC[C@@H](N)CC4)[nH]3)n[nH]2)C1=O ZINC000473089037 HD Annotated Anodyne CCN1CC[C@H](c2cc(N=c3ccnc(N(C)C[C@@H]4CC[C@@H](N)CC4)[nH]3)n[nH]2)C1=O ZINC000473090288 HD Annotated Anodyne CCN(C[C@@H]1CC[C@@H](N)CC1)c1nccc(=Nc2cc([C@H]3CCN(C)C3=O)[nH]n2)[nH]1 ZINC000473095762 HD Annotated Anodyne C[C@H]1CN(C)C(=O)[C@@H]1c1cc(N=c2ccnc(N(C)C[C@@H]3CC[C@@H](N)CC3)[nH]2)n[nH]1 ZINC000473096116 HD Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCCC[C@@H]4O)[nH]c23)c(C(F)(F)F)n1 ZINC000473098430 HD Annotated Anodyne CNc1ccc(C(=O)Oc2cc(ON[N+](=O)N(C)C)c(C#N)cc2[N+](=O)[O-])cc1 ZINC000473099559 HD Annotated Mild Cc1cc2ccnc(N[C@H]3CCNC[C@@H]3OCC3CCS(=O)(=O)CC3)c2nc1O ZINC000473107317 HD Annotated Anodyne CNc1ccc(C(=O)Oc2cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc2C#N)cc1 ZINC000473107730 HD Annotated Reactive Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCCC[C@@H]4O)[nH]c23)c(C(F)F)n1 ZINC000473108695 HD Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]c23)c(C(F)F)n1 ZINC000473108728 HD Annotated Anodyne Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OC[C@@H]3CCS(=O)(=O)C3)c2nc1O ZINC000473110448 HD Annotated Anodyne COC(=O)c1cccc(NC(=O)C2(N)CCN(c3ccnc(NC(C)=O)n3)CC2)c1 ZINC000473112152 HD Annotated Anodyne O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCOCC1)c1ccccn21 ZINC000473112303 HD Annotated Clean O=C1C[C@H](CBr)N1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000473113078 HD Annotated Reactive O=C1C[C@@H](CBr)N1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000473113079 HD Annotated Reactive O=C1CCN(c2ccccc2C(=O)NCCc2nc(-c3ccccn3)no2)C(=O)N1 ZINC000473115887 HD Annotated Anodyne CN1CCCN(c2nc3[nH]cnc3c(=NC3CCN(Cc4ccccc4)CC3)[nH]2)CC1 ZINC000473119800 HD Annotated Anodyne CC[C@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23 ZINC000473121641 HD Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C2=C(C=C(/C=C/C(=O)O)OC2)C[C@H]1O ZINC000473121696 HD Annotated Mild O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCOCC1)c1ccccn21 ZINC000473124167 HD Annotated Clean CC(=O)OC[C@]1(O)[C@@H]2CC[C@H]3[C@]4(C)CC[C@@]5(O)OC(=O)C=C5[C@H]4CC[C@]3(C2)[C@H]1O ZINC000473124654 HD Annotated Anodyne COC[C@H](C)Oc1cc(C#CCN=c2nccc[nH]2)cc(C(=O)N=c2ccn(C)[nH]2)c1 ZINC000473128062 HD Annotated Mild CC(=O)OC[C@@]1(C)[C@H](O)CC[C@]2(C)C(CC[C@](C)(O)CCO)=C(C)C(=O)[C@@H](O)[C@H]21 ZINC000473128542 HD Annotated Mild CC(=O)OC[C@@]1(C)[C@H](O)CC[C@]2(C)C(CC[C@@](C)(O)CCO)=C(C)C(=O)[C@@H](O)[C@H]21 ZINC000473128546 HD Annotated Mild CSC(=O)c1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(C)c(O)c(C)c1C(C)C ZINC000473130104 HD Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(CC[C@](C)(O)CCO)=C(C)C(=O)[C@@H](O)[C@H]2[C@@]1(C)CO ZINC000473130119 HD Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C(CC[C@@](C)(O)CCO)=C(C)C(=O)[C@@H](O)[C@H]2[C@@]1(C)CO ZINC000473130120 HD Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)OCCc2cnnn2CCCO)cc1OC(C)=O ZINC000473134005 HD Annotated Anodyne Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)ccc21 ZINC000473135169 HD Annotated Anodyne O=c1n(CCCCCCn2nnn(-c3ccccc3)c2=O)nnn1-c1ccccc1 ZINC000473135339 HD Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)OCCCn2cc(CCO)nn2)cc1OC(C)=O ZINC000473135782 HD Annotated Anodyne NC(=O)CNC(=O)Cn1c2c(c3cc(Br)ccc31)CC[C@@H](C(=O)O)C2 ZINC000473136769 HD Annotated Anodyne CCOC(=O)CSC1=NC2=NC(C)=C(C(N)=O)[C@H](c3ccc(N(C)C)cc3)N2N1 ZINC000473136936 HD Annotated Clean CCOC(=O)CSC1=NC2=NC(C)=C(C(N)=O)[C@@H](c3ccc(N(C)C)cc3)N2N1 ZINC000473136937 HD Annotated Clean CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@@]1(C)CN ZINC000473144805 HD Annotated Mild CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@@]1(C)N ZINC000473147462 HD Annotated Mild COC(=O)[C@]12CCC[C@@]3([C@@H](OC)O[C@@H]1O)[C@H]1C[C@@]4(O)OC(=O)C=C4[C@H](C)[C@@H]1CC[C@@H]23 ZINC000473148686 HD Annotated Anodyne COC(=O)[C@@]12CCC[C@]3([C@H]4C[C@@]5(O)OC(=O)C=C5[C@H](C)[C@@H]4CC[C@@H]13)[C@H](OC)O[C@@H]2O ZINC000473148687 HD Annotated Anodyne COC(=O)[C@]12CCC[C@@]3([C@@H](OC)O[C@H]1O)[C@H]1C[C@@]4(O)OC(=O)C=C4[C@H](C)[C@@H]1CC[C@@H]23 ZINC000473148688 HD Annotated Anodyne COC(=O)[C@@]12CCC[C@]3([C@H]4C[C@@]5(O)OC(=O)C=C5[C@H](C)[C@@H]4CC[C@@H]13)[C@H](OC)O[C@H]2O ZINC000473148689 HD Annotated Anodyne CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)N2CCNCC2)c2cc(C(=O)O)ccc21 ZINC000473151570 HD Annotated Anodyne O=C1c2ccccc2C(=O)c2c1nnn2Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000473152459 HD Annotated Clean COc1cc(CN=c2nn[nH][nH]2)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1 ZINC000473154318 HD Annotated Bother Cn1cc(NC(=O)c2ccc3ccc(=N[C@@H]4CCCNC4)[nH]n23)c(C(F)(F)F)n1 ZINC000473154923 HD Annotated Anodyne Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCNC4)nn23)c(C(F)(F)F)n1 ZINC000473155031 HD Annotated Anodyne CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)NC ZINC000473166074 HD Annotated Anodyne CCO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@@]1(C)N ZINC000473167254 HD Annotated Mild CCO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@]1(C)N ZINC000473167256 HD Annotated Mild Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CN3CC[C@@H](O)C3)c2F)cn1 ZINC000473182554 HD Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CN3CC[C@@H](O)C3)c2F)cn1 ZINC000473182555 HD Annotated Anodyne CC(C)C[C@@H]1C(=O)N(CCC(=O)C(=O)N[C@H](C)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473197709 HD Annotated Anodyne CC(C)C[C@@H]1C(=O)N(CCC(=O)C(=O)N[C@@H](C)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473197710 HD Annotated Anodyne CC(C)C[C@@H]1C(=O)N(CCC(=O)C(=O)N[C@H](C)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473197711 HD Annotated Anodyne CC(C)C[C@@H]1C(=O)N(CCC(=O)C(=O)N[C@@H](C)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473197713 HD Annotated Anodyne CNC(=O)[C@](C)(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(ccn3C)c2)cc1 ZINC000473227450 HD Annotated Bother Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](O)CO3)no1 ZINC000473243793 HD Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](O)CO3)no1 ZINC000473243794 HD Annotated Mild Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](O)CO3)no1 ZINC000473244699 HD Annotated Mild Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](O)CO3)no1 ZINC000473244923 HD Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@H](CF)O3)no1 ZINC000473245211 HD Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C[C@@H](CF)O3)no1 ZINC000473245217 HD Annotated Mild COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4cccnc4)C[C@H]3C)nc21 ZINC000473247175 HD Annotated Anodyne CCn1cc(N2CCN(Cc3nc4c5cccc(OC)c5[nH]c(=N)n4n3)[C@H](C)C2)cn1 ZINC000473247228 HD Annotated Anodyne COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4ccncc4)C[C@H]3C)nc21 ZINC000473247738 HD Annotated Anodyne COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4ccccn4)C[C@H]3C)nc21 ZINC000473247764 HD Annotated Anodyne COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4ccc(F)cn4)C[C@H]3C)nc21 ZINC000473248236 HD Annotated Anodyne COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4cnn(C)c4)C[C@H]3C)nc21 ZINC000473248957 HD Annotated Anodyne COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4ncccn4)C[C@H]3C)nc21 ZINC000473249312 HD Annotated Anodyne COc1cc2c(cc1OC1CCCC1)CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2 ZINC000473249662 HD Annotated Anodyne C[C@@H](O)[C@@H](C)N=c1[nH]c(Nc2ccc([S@](N)=O)cc2)ncc1Br ZINC000474603519 HD Annotated Anodyne C[C@@H](O)[C@@H](C)N=c1[nH]c(Nc2ccc([S@@](N)=O)cc2)ncc1Br ZINC000474603520 HD Annotated Anodyne COc1ccc2[nH]c3c(C)c4cc[n+]([C@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000048998591 HD Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000048998593 HD Annotated Bother COc1ccc(/C=C/N2C(=O)N[C@@H](CCCNC(=N)N)C2=O)cc1Br ZINC000048999197 HD Annotated Anodyne N#Cc1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(CCCN2CCOCC2)c1=O ZINC000049036684 HD Annotated Mild COC(=O)[C@@]1(O)C(=O)[C@](C)(CC=C(C)C)C(=O)[C@@]12C[C@H]1[C@@H](CC[C@@]1(C)O)[C@@](C)(O)C2 ZINC000049047012 HD Annotated Anodyne COC(=O)[C@@]1(O)C(=O)[C@](C)(CC=C(C)C)C(=O)[C@]12C[C@H]1[C@@H](CC[C@@]1(C)O)[C@@](C)(O)C2 ZINC000049047016 HD Annotated Anodyne COc1ccc2c(c1)N(C)C(=O)[C@@]21C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@H]1C=C(C)C ZINC000049067912 HD Annotated Anodyne COCCNC(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049071449 HD Annotated Anodyne COc1ccc(/C=C/N2C(=O)N/C(=C\CCNC(=N)N)C2=O)cc1Br ZINC000049110305 HD Annotated Anodyne CCOC(=O)c1nn(CC)c(=O)c2nn(-c3cc(C(N)=O)ccc3Cl)c(C)c12 ZINC000049111383 HD Annotated Anodyne O=C(COc1cccc(F)c1C(=O)NCCCCO)N[C@H](CO)Cc1ccccc1 ZINC000049111812 HD Annotated Anodyne COc1ccc2c(c1)N(C)C(=O)[C@@]21C=C2C(=O)N3CCC[C@H]3C(=O)N2[C@H]1C=C(C)C ZINC000049112800 HD Annotated Anodyne CCOC(=O)CC[C@@H](C(=O)OCC)N1C(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1=O ZINC000049113221 HD Annotated Anodyne COCCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccc(F)c(F)c1 ZINC000049113770 HD Annotated Anodyne O=S(=O)(O)c1ccc(O)c(/N=N/C=N/Nc2cc(S(=O)(=O)O)ccc2O)c1 ZINC000049114980 HD Annotated Mild CCOC[C@]1(CN2CCN(C)CC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049217316 HD Annotated Anodyne CCOC[C@@]1(CN2CCN(C)CC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049217320 HD Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N(C)CC(=O)N1CCc2ccccc21 ZINC000049539855 HD Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CN ZINC000049650051 HD Annotated Mild COC1=C(CC[C@@H]2Cc3c(Cl)c(O)cc(O)c3C2=O)C(=O)C(NC=O)=CC1=O ZINC000049678161 HD Annotated Mild COC1=C(CC[C@H]2Cc3c(Cl)c(O)cc(O)c3C2=O)C(=O)C(NC=O)=CC1=O ZINC000049678163 HD Annotated Mild COC1=C(C/C=C2/CCc3c(Cl)c(O)cc(O)c3C2=O)C(=O)C(NC=O)=CC1=O ZINC000049679517 HD Annotated Mild COC1=C(CC[C@H]2CC(=O)c3c(O)cc(O)c(Cl)c3C2)C(=O)C(NC=O)=CC1=O ZINC000049679989 HD Annotated Mild COC1=C(CC[C@@H]2CC(=O)c3c(O)cc(O)c(Cl)c3C2)C(=O)C(NC=O)=CC1=O ZINC000049679992 HD Annotated Mild Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000049694060 HD Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000049694061 HD Annotated Anodyne COC1=C(C[C@H](C)OC(=O)c2cc(Cl)c(O)cc2O)C(=O)C(NC=O)=CC1=O ZINC000049710336 HD Annotated Mild COC1=C(C[C@@H](C)OC(=O)c2cc(Cl)c(O)cc2O)C(=O)C(NC=O)=CC1=O ZINC000049710340 HD Annotated Mild CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@H]1CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2OC(=O)CCl ZINC000049766639 HD Annotated Reactive C/C=C/C=C/C=C/C(=O)N[C@H]1CCCNC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C1=O ZINC000049802622 HD Annotated Anodyne O=C1[C@@H]2CS[C@@]3(C(=O)Nc4ccc(Br)cc43)N2C(=O)[C@@H]2CCCN12 ZINC000049803574 HD Annotated Anodyne N#CC(=O)NCCCOc1c(Br)cc([C@H](O)CN)cc1Br ZINC000049807781 HD Annotated Mild N#CC(=O)NCCCOc1c(Br)cc([C@@H](O)CN)cc1Br ZINC000049807782 HD Annotated Mild CCOC(=O)C[C@@H]1CS[C@@]2(c3cc(C)ccc3N)C(=O)N3CCC[C@H]3C(=O)N12 ZINC000049808438 HD Annotated Anodyne O=C1[C@@H]2CS[C@]3(C(=O)Nc4ccc(Br)cc43)N2C(=O)[C@@H]2CCCN12 ZINC000049808628 HD Annotated Anodyne COc1c(N2CCN(c3ccccn3)CC2)c(N)cc2c(=O)c(C(=O)O)cn(C)c12 ZINC000049813832 HD Annotated Anodyne Cc1nc(Sc2nnc3c4ccccc4n(C)c3n2)nc(N2CCN(C)CC2)n1 ZINC000049820521 HD Annotated Anodyne C/C=C/C=C/C=C/C(=O)N[C@H]1CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC1=O ZINC000049863834 HD Annotated Anodyne CCCC(=O)c1c(O)cc(O)c(C[C@H]2C(=O)[C@H](C(C)=O)C(=O)C(C)(C)C2=O)c1O ZINC000049942249 HD Annotated Anodyne CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCO[C@H](CO)C5)c1c4n23 ZINC000000604730 HD Annotated Anodyne Nc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000000605280 HD Annotated Bother COc1ccc(C(=O)NC[C@@]23C=C[C@@H](O2)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]23)cc1 ZINC000000754784 HD Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC[C@H](C(=O)N(CC)CC)C3)ccc2[nH]c1=O ZINC000000766793 HD Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC[C@@H](C(=O)N(CC)CC)C3)ccc2[nH]c1=O ZINC000000766794 HD Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000769442 HD Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 ZINC000000769444 HD Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CO)c(OC)c1OC ZINC000000776268 HD Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CO)c(OC)c1OC ZINC000000776269 HD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000000788791 HD Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c3ccco3)C2)c1 ZINC000000792317 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3C(CO)=CC(=O)C3=C(C)C[C@@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12 ZINC000000898598 HD Annotated Mild in-man endogenous Cc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000000915455 HD Annotated Reactive Cc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000000915457 HD Annotated Reactive O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 ZINC000000990426 HD Annotated Anodyne CC[C@@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1C(=O)OC ZINC000005004100 HD Annotated Clean C[C@@H]1CCCCN1CCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12 ZINC000005013319 HD Annotated Anodyne C[C@H]1CCCCN1CCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12 ZINC000005013326 HD Annotated Anodyne CC[C@@H](C)NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1c(C)n[nH]c1C ZINC000005026287 HD Annotated Anodyne CC[C@H](C)NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1c(C)n[nH]c1C ZINC000005026288 HD Annotated Anodyne CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000005035807 HD Annotated Anodyne CC(=O)OC[C@@]12C(=O)[C@@H](O)[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC[C@]21CO1 ZINC000005037504 HD Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)C1 ZINC000005042281 HD Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C)cc3c2=O)C1 ZINC000005042282 HD Annotated Anodyne CCOC(=O)[C@@H]1CCCN(c2c(N3CCN(C4CCCCC4)CC3)c(=O)c2=O)C1 ZINC000005067991 HD Annotated Anodyne CCOC(=O)[C@H]1CCCN(c2c(N3CCN(C4CCCCC4)CC3)c(=O)c2=O)C1 ZINC000005068001 HD Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)C(=O)OC)c(=O)n(C)c3nc12 ZINC000005076178 HD Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)C(=O)OC)c(=O)n(C)c3nc12 ZINC000005076179 HD Annotated Anodyne COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)cn23)n(C)c1=O ZINC000005076186 HD Annotated Anodyne COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)cn23)n(C)c1=O ZINC000005076187 HD Annotated Anodyne CCc1nn(CC(=O)NCCCN2CCCC2=O)c(=O)c2cc3sccc3n12 ZINC000005108893 HD Annotated Anodyne O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CC3)ccc(NCCN3CC3)c21 ZINC000005117118 HD Annotated Clean C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000005158270 HD Annotated Mild COC(=O)C1=C(C(=O)OC)[C@@]23C=CC=C[C@@]24C(C(=O)OC)=C(C(=O)OC)[C@H]4[C@@H]1C3 ZINC000005248348 HD Annotated Anodyne C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCCC1 ZINC000005301862 HD Annotated Anodyne C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCCC1 ZINC000005301870 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]3C(C)=C[C@H](O)[C@@H]3[C@]3(CO3)C[C@@H](OC(=O)/C(C)=C/COC(C)=O)[C@@H]12 ZINC000005341519 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3C(C)=C[C@@H](O)[C@@H]3[C@]3(CO3)C[C@@H](OC(=O)/C(C)=C/COC(C)=O)[C@@H]12 ZINC000005341520 HD Annotated Mild C/C=C1\CN2CC[C@@]34c5ccccc5N[C@@]23[C@H](O)C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC ZINC000005412783 HD Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@H](OC(C)=O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000523041394 HD Annotated Mild C=C(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2C[C@H](OC(C)=O)/C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000523041399 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 ZINC000523041436 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](OC(C)=O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 ZINC000523041437 HD Annotated Mild C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2/C=C(/C)CO[C@@](C)([C@H](C)O)[C@H]1OC(C)=O ZINC000523041587 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@]3(O)C[C@H](OC)[C@@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3 ZINC000523041628 HD Annotated Mild C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000523041807 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C[C@@]1(C)[C@@H](C[C@@H](OC(C)=O)[C@@H]1OC(C)=O)[C@H](C)[C@H]2OC(C)=O ZINC000523042117 HD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@]3(O)C[C@H](OC)[C@@](C)(C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12)O3 ZINC000523042133 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@@H]3O[C@]3(COC(C)=O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000523042438 HD Annotated Mild O=c1[nH]ccc2nc(N[C@H]3CCNC3)nc(Nc3ccc4c(c3)S(=O)(=O)CC4)c12 ZINC000052996472 HD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@H](O)[C@@H](OC(=O)/C(C)=C\C)/C(C(=O)OC)=C\CC[C@@]1(C)O[C@H]21 ZINC000525915045 HD Annotated Mild C=C1C(=O)O[C@H]2/C=C(/CO)[C@@H](OC(C)=O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000525915246 HD Annotated Mild CO[C@@]12[C@@H](COC(N)=O)c3c(O)c(/N=C4/C=CN=N4)c(C)c(O)c3N1C[C@H]1N[C@H]12 ZINC000053074079 HD Annotated Mild CO[C@]12[C@@H](COC(N)=O)c3c(O)c(/N=C4/C=CN=N4)c(C)c(O)c3N1C[C@H]1N[C@H]12 ZINC000053074082 HD Annotated Mild O=C(Nc1n[nH]c2c1CN(C(=O)[C@@H](O)c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000053276537 HD Annotated Anodyne CCOC(=O)N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000053279020 HD Annotated Reactive CCOC(=O)N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000053279022 HD Annotated Reactive CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000053279106 HD Annotated Reactive CCOC(=O)N/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000053279108 HD Annotated Reactive O=NN(CC(=O)N/N=C\C=N\NC(=O)CN(N=O)c1ccccc1)c1ccccc1 ZINC000053294783 HD Annotated Reactive CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@H](O3)[C@](C)(O)C[C@@H]2OC(=O)[C@]2(C)CO2)OC1=O ZINC000053621803 HD Annotated Anodyne C/C=C/C=C/C(O)=C1/C(=O)C(C)=C(O)[C@@]2(C)OC(=O)[C@@](C)(NC(=O)/C=C/C(=O)O)[C@@H]12 ZINC000053658244 HD Annotated Mild CC(C)(C)c1nc(N2CCN(c3ncccn3)CC2)c2cc(C(N)=O)c(N)nc2n1 ZINC000053683800 HD Annotated Anodyne in-vivo CCCC(=O)c1c(O)cc(O)c(C[C@@H]2C(=O)[C@H](C(C)=O)C(=O)C(C)(C)C2=O)c1O ZINC000053684272 HD Annotated Anodyne CCCC(=O)c1c(O)cc(O)c(C[C@@H]2C(=O)[C@@H](C(C)=O)C(=O)C(C)(C)C2=O)c1O ZINC000053684275 HD Annotated Anodyne CCCC(=O)c1c(O)cc(O)c(C[C@H]2C(=O)[C@@H](C(C)=O)C(=O)C(C)(C)C2=O)c1O ZINC000053684278 HD Annotated Anodyne COc1ccc2c(c1)[n+]([O-])c(C#N)c(N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)[n+]2[O-] ZINC000005582868 HD Annotated Mild O=c1[nH]/c(=C/c2ccc(OCc3ccccc3)cn2)c(=O)[nH]/c1=C/c1ccc(O)cc1 ZINC000005596579 HD Annotated Anodyne O=c1[nH]/c(=C/c2ccc(OCc3ccccc3)cn2)c(=O)[nH]/c1=C/c1ccc(F)cc1 ZINC000005596840 HD Annotated Anodyne O=c1[nH]/c(=C/c2cccs2)c(=O)[nH]/c1=C/c1ccc(OCc2ccccc2)cn1 ZINC000005596846 HD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 ZINC000005641150 HD Annotated Reactive C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COCC)=C31)O2 ZINC000005641640 HD Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@@]1(CCC[C@@](C)(COC(C)=O)[C@H]1C=O)COC3=O ZINC000005664165 HD Annotated Mild CCOC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@@]2(O)CCC[C@]12C(=O)OCC ZINC000005723321 HD Annotated Anodyne CCOC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@]2(O)CCC[C@]12C(=O)OCC ZINC000005723322 HD Annotated Anodyne CC(C)O[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br ZINC000005732877 HD Annotated Clean C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC=C2C1=CC(=O)OC1 ZINC000005764401 HD Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC=C2C1=CC(=O)OC1 ZINC000005764544 HD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3C(COC(=O)Cc4ccc(O)cc4)=CC(=O)C3=C(C)C[C@H](O)[C@@H]12 ZINC000005766676 HD Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@H](OC(=O)CC)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000005768413 HD Annotated Mild CCOC(=O)C1=c2s/c(=C/c3ccco3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccco1 ZINC000005790873 HD Annotated Reactive CCOC(=O)C1=c2s/c(=C/c3ccco3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccco1 ZINC000005790874 HD Annotated Reactive COc1cc([C@@H]2C(C(=O)O)=C(CO)Oc3cc4c(cc32)OCO4)cc(OC)c1O ZINC000005809264 HD Annotated Anodyne C/C(CN1C(=O)c2ccccc2C1=O)=N\NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005810872 HD Annotated Mild CC[C@H]1[C@H]2OC(=O)[C@H](C)[C@H]2[C@@]2(O)C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@@]12C3=O ZINC000005822689 HD Annotated Anodyne CC[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@]2(O)C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@@]12C3=O ZINC000005822692 HD Annotated Anodyne C/C(N)=C(/C#N)C(=O)COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000005827519 HD Annotated Reactive C/C(N)=C(/C#N)C(=O)COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000005827521 HD Annotated Reactive Cc1cc2c(c3oc([C@@](O)(CO)[C@@H]4CO4)cc(=O)c13)C(=O)c1c(O)cccc1C2=O ZINC000005836007 HD Annotated Clean Cc1cc2c(c3oc([C@](O)(CO)[C@@H]4CO4)cc(=O)c13)C(=O)c1c(O)cccc1C2=O ZINC000005836013 HD Annotated Clean Cc1cc2c(c3oc([C@@](O)(CO)[C@H]4CO4)cc(=O)c13)C(=O)c1c(O)cccc1C2=O ZINC000005836018 HD Annotated Clean CNC(=O)N(CCC#N)CCN(CCN(C(=O)NC)c1ccccc1)C(=O)NC ZINC000005840002 HD Annotated Mild NCCCCNCCCNC(=O)c1csc(-c2nc(CCN)sc2Cl)n1 ZINC000005848076 HD Annotated Anodyne NCCCCNCCCNC(=O)c1nc(-c2csc(CCN)n2)sc1Cl ZINC000005848084 HD Annotated Anodyne N[C@@H]1C=C[C@H](NCCCNC[C@@H]2CCC[C@H](CNCCCN[C@H]3C=C[C@H](N)C3)C2)C1 ZINC000005848538 HD Annotated Anodyne N[C@@H]1C=C[C@H](NCCCNC[C@@H]2CCC[C@@H](CNCCCN[C@H]3C=C[C@H](N)C3)C2)C1 ZINC000005849402 HD Annotated Anodyne N[C@@H]1C=C[C@H](NCCCNC[C@H]2CCC[C@@H](CNCCCN[C@H]3C=C[C@H](N)C3)C2)C1 ZINC000005849447 HD Annotated Anodyne CO[C@@H]1[C@@H](CO)O[C@@H](Oc2c3ccccc3c3nccc4cc[nH]c2c43)[C@H](O)[C@H]1O ZINC000005853122 HD Annotated Bother CO[C@@H]1C(O)=C(C(C)=O)C(=O)[C@@]2(O)C(=O)c3c(cc4cc(O)cc(O)c4c3O)C[C@@H]12 ZINC000005855034 HD Annotated Mild in-vitro CC(=O)OC[C@H]1O[C@@H](N2C(=O)NC(=O)[C@H]3C=C4CCCCC4=C[C@H]32)C[C@@H]1OC(C)=O ZINC000005857193 HD Annotated Anodyne C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)COC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO ZINC000005857234 HD Annotated Mild CC(=O)OC[C@@H]1O[C@@H](N2C(=O)NC(=O)[C@H]3C=C4CCCCC4=C[C@H]32)C[C@@H]1OC(C)=O ZINC000005857307 HD Annotated Anodyne CCOC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000005875179 HD Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)NC(=O)c1cccn1C ZINC000005885035 HD Annotated Anodyne Cc1cc(O)nc(S(=O)(=O)NC(=S)Nc2ccc(Br)cc2)n1 ZINC000005891900 HD Annotated Anodyne CC(=O)C1=C(O)[C@]2(O)C(=O)c3c(c(C)c4ccc(C)c(O)c4c3O)C[C@H]2[C@H](N)C1=O ZINC000005892598 HD Annotated Mild CC(=O)C1=C(O)[C@]2(O)C(=O)c3c(c(C)c4ccc(C)c(O)c4c3O)C[C@@H]2[C@H](N)C1=O ZINC000005892599 HD Annotated Mild CC(=O)C1=C(O)[C@@]2(O)C(=O)c3c(c(C)c4ccc(C)c(O)c4c3O)C[C@H]2[C@H](N)C1=O ZINC000005892600 HD Annotated Mild CC(=O)C1=C(O)[C@@]2(O)C(=O)c3c(c(C)c4ccc(C)c(O)c4c3O)C[C@@H]2[C@H](N)C1=O ZINC000005892603 HD Annotated Mild CC1=NN(c2nc(N)nc(CSc3nc4n(c(=S)n3)CCN4)n2)C(C)(C)C1 ZINC000005923370 HD Annotated Anodyne CC[C@]12O[C@H]1Cc1c(O)c3c(c(O)c1[C@H]2C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000005924227 HD Annotated Clean O=C(O)[C@H]1O[C@@H](Oc2c3ccccc3c3nccc4cc[nH]c2c43)[C@H](O)[C@@H](O)[C@@H]1O ZINC000005939936 HD Annotated Bother CC(C)(C)c1cc(C(C)(C)C)c(S[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(O)c1O ZINC000005950591 HD Annotated Clean CC(C)(C)c1cc(C(C)(C)C)c(S[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(O)c1O ZINC000005950594 HD Annotated Clean CC[C@@]12O[C@@H]1Cc1c(O)c3c(c(O)c1[C@H]2C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000005955162 HD Annotated Clean CN(C)CC(=O)Nc1ccc(NC(=O)CN(C)C)c2c1C(=O)c1ccccc1C2=O ZINC000005957438 HD Annotated Clean CC(C)O[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br ZINC000005963092 HD Annotated Clean CNCCC(=O)Nc1ccc(NC(=O)CCNC)c2c1C(=O)c1ccccc1C2=O ZINC000005996306 HD Annotated Clean CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2F)CC1 ZINC000055054704 HD Annotated Anodyne CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2F)CC1 ZINC000055054705 HD Annotated Anodyne Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCCn2ncc3ccccc32)o1 ZINC000055195585 HD Annotated Anodyne Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2ncc3ccccc32)o1 ZINC000055195591 HD Annotated Anodyne CCOC(=O)N1CCC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2cccs2)CC1 ZINC000055244364 HD Annotated Anodyne CCOC(=O)N1CCC(NC(=O)C[C@H]2C(=O)NCCN2Cc2cccs2)CC1 ZINC000055244367 HD Annotated Anodyne CN1CCN(c2ccc(-c3c(C#N)c(=N)n4[nH]c(=S)n(C)c4c3C#N)cc2)CC1 ZINC000055665055 HD Annotated Anodyne CN1CC[C@@H](n2cc(S(=O)(=O)C3=[N+]4C=CS[C@@H]4N[C-]3Cl)c3cccnc32)C1 ZINC000055869820 HD Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C=C4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000056874324 HD Annotated Mild in-vitro COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@H]4[C@](C)(O)[C@@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000056874326 HD Annotated Mild in-vitro O=C1C(O)=C(C2=C(O)C(=O)c3cc(O)cc(O)c3C2=O)C(=O)c2c(O)cc(O)cc21 ZINC000056874907 HD Annotated Mild in-vitro O=C1C(O)=C(c2c(O)cc(O)c3c2C(=O)C(O)=CC3=O)C(=O)c2c(O)cc(O)cc21 ZINC000056874909 HD Annotated Mild in-vitro CN1C(=O)C[C@@]2(C1=O)[C@@H](c1ccccc1O)CN(C)[C@@]21C(=O)N(C)c2ccccc21 ZINC000058487651 HD Annotated Anodyne Cc1cccc(Cn2c(N)c(N(C)S(=O)(=O)c3ccccc3)c(O)nc2=O)c1 ZINC000584905582 HD Annotated Anodyne COc1ccc([C@H]2CN(C)[C@@]3(C(=O)N(C)c4ccccc43)[C@@]23CC(=O)N(C)C3=O)cc1 ZINC000058502044 HD Annotated Anodyne N[C@@H]1C=C[C@@H](NCCCNC[C@@H]2CCC[C@@H](CNCCCN[C@@H]3C=C[C@H](N)C3)C2)C1 ZINC000058532874 HD Annotated Anodyne COc1ccccc1NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CC1)C(C)(C)C ZINC000058537961 HD Annotated Bother Cc1cc(F)ccc1NCc1cc(C(=O)N2CC[C@@H](O)C2)cc(N2CC[C@H](O)C2)n1 ZINC000058538608 HD Annotated Anodyne COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000058549486 HD Annotated Anodyne Cc1ccc2c(n1)N(CCN1CCOCC1)C[C@@H](C(=O)NC1CCC(C)CC1)[C@H]2O ZINC000058565937 HD Annotated Anodyne Cn1cc(Br)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)n1 ZINC000058569229 HD Annotated Anodyne COc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23CC(=O)N(C)C3=O)cc1 ZINC000058581854 HD Annotated Anodyne Cc1ccc2c(c1)ncn2CCNC(=O)C[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C ZINC000058582700 HD Annotated Mild COc1cc(/C=c2\[nH]c3n(c2=O)[C@H](c2ccc(F)cc2)CN=3)ccc1-n1cnc(C)c1 ZINC000058582760 HD Annotated Anodyne Cc1nc2ccccc2n1CCNC(=O)C[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C ZINC000058592876 HD Annotated Mild CCCN[C@H]1COCCN1c1cc(-c2cc(OC)c(OC)c(OC)c2)nc(N)n1 ZINC000058603246 HD Annotated Anodyne COc1ccccc1N(C(=O)[C@H](C)OC)[C@@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000058608818 HD Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)c3c(O)c(/N=C4/C=CN=N4)c(C)c(O)c3N1C[C@H]1N[C@H]12 ZINC000058666061 HD Annotated Anodyne N=C(N)Nc1cccc(N2C[C@H](C(=O)N[C@H](CC(=O)O)c3cccnc3)CC2=O)c1 ZINC000058683104 HD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@](O)(C=C[C@@]52CO)[C@]63O)CC[C@@H]41 ZINC000058692827 HD Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O ZINC000058991900 HD Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]1)C2 ZINC000586884024 HD Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]1)C2 ZINC000586884029 HD Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H](O)CC(=O)O)[nH]c2c1 ZINC000586889320 HD Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](O)CC(=O)O)[nH]c2c1 ZINC000586889321 HD Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586890786 HD Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586890787 HD Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586890789 HD Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586890791 HD Annotated Anodyne O=C(c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586897666 HD Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586907654 HD Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586907657 HD Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000586920516 HD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586920750 HD Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586920776 HD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586920867 HD Annotated Bother Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586920981 HD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586921409 HD Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586921544 HD Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586922230 HD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(I)cnc2[nH]1 ZINC000586922577 HD Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)o1 ZINC000586922715 HD Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586923097 HD Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)o1 ZINC000586923246 HD Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)o1 ZINC000586923364 HD Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(O)nc(N)nc4[nH]3)c2)o1 ZINC000586923466 HD Annotated Anodyne CC1=C(c2ccc3nc(CS(=O)(=O)Cc4ccnn4C)[nH]c3c2)NNC(=O)C1 ZINC000586923553 HD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586923716 HD Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)c2)o1 ZINC000586923841 HD Annotated Mild CS(=O)(=O)c1cc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924604 HD Annotated Mild COc1cc(Cc2nc3c(O)nc(S)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924784 HD Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000586924859 HD Annotated Anodyne COc1cc(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(S(=O)(=O)Cl)c1OC ZINC000586925270 HD Annotated Unstable COc1cc(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925458 HD Annotated Unstable COc1cc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925528 HD Annotated Unstable COc1cc(Cc2nc3c(O)nc(O)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925937 HD Annotated Unstable CS(=O)(=O)c1cc(-c2nc3c(O)nc(S)nc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926285 HD Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c12 ZINC000586928420 HD Annotated Anodyne CN(Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928539 HD Annotated Anodyne CN1CCN(c2ccc3nc(CN(C)S(=O)(=O)c4cccnc4)[nH]c3c2)CC1 ZINC000586928858 HD Annotated Anodyne CC1=C(c2ccc3nc(CN(C)S(=O)(=O)c4cccnc4)[nH]c3c2)NNC(=O)C1 ZINC000586929097 HD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586929390 HD Annotated Bother CN(Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929515 HD Annotated Anodyne CN(Cc1nc2nc(Br)c[nH]c-2n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929682 HD Annotated Mild CN(Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929707 HD Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586929902 HD Annotated Anodyne COC(=O)c1cc2[nH]c(COc3ccc(S(N)(=O)=O)cc3C)nc2cc1OC ZINC000586929910 HD Annotated Anodyne CC1=C(c2ccc3nc(CCc4ccc(S(N)(=O)=O)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586930052 HD Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)ncc(I)c3[nH]2)c1 ZINC000586930470 HD Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCS(=O)(=O)N(C)C)nc2c1 ZINC000586930595 HD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586930597 HD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586930678 HD Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2c1OC ZINC000586930896 HD Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4ccc(S(=O)(=O)N(C)C)o4)nc3c2)NNC(=O)C1 ZINC000586931231 HD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586931342 HD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586931608 HD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586931907 HD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000586931968 HD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000586932041 HD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586932213 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H](C)O)cc1 ZINC000586933960 HD Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H](C)O)cc1 ZINC000586933961 HD Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H](C)O)cc1 ZINC000586933962 HD Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H](C)O)cc1 ZINC000586933963 HD Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H](C)O)cc1 ZINC000586934332 HD Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H](C)O)cc1 ZINC000586934333 HD Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H](C)O)cc1 ZINC000586934334 HD Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H](C)O)cc1 ZINC000586934335 HD Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@@H](C)O)cc1 ZINC000586934716 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@H](C)O)cc1 ZINC000586934718 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@H](C)O)cc1 ZINC000586934719 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@@H](C)O)cc1 ZINC000586934722 HD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000586934890 HD Annotated Anodyne Cc1nc2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2cc1Br ZINC000586934904 HD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000586934955 HD Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2c1 ZINC000586934983 HD Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586935012 HD Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586935013 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Cl)nc(C#N)c3[nH]2)[C@H](C)O)cc1 ZINC000586935164 HD Annotated Mild COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Cl)nc(C#N)c3[nH]2)[C@@H](C)O)cc1 ZINC000586935171 HD Annotated Mild COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Cl)nc(C#N)c3[nH]2)[C@@H](C)O)cc1 ZINC000586935172 HD Annotated Mild COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Cl)nc(C#N)c3[nH]2)[C@H](C)O)cc1 ZINC000586935174 HD Annotated Mild NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000586935505 HD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000586935510 HD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000586935523 HD Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2c1 ZINC000586935568 HD Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586935885 HD Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586935887 HD Annotated Mild NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cccc(Br)c3[nH]2)c1 ZINC000586936281 HD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000586936492 HD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000586936564 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@@H](C)O)cc1 ZINC000586936607 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@H](C)O)cc1 ZINC000586936611 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@H](C)O)cc1 ZINC000586936613 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@@H](C)O)cc1 ZINC000586936616 HD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000586936617 HD Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)c1 ZINC000586936689 HD Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)c1 ZINC000586937045 HD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 ZINC000586937103 HD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000586937145 HD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 ZINC000586937147 HD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000586937326 HD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586938391 HD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586938392 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)O)cc1 ZINC000586938767 HD Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H](C)O)cc1 ZINC000586938768 HD Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H](C)O)cc1 ZINC000586938769 HD Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)O)cc1 ZINC000586938770 HD Annotated Bother C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586939396 HD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586939397 HD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586939406 HD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586939407 HD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586939440 HD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586939441 HD Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586939583 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000586939593 HD Annotated Mild COc1cc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1C ZINC000586939637 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000586939643 HD Annotated Mild C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586939747 HD Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000586939802 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000586939826 HD Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586939873 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc([C@H](N)N=O)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586939996 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc([C@@H](N)N=O)cc3[nH]2)[C@H](C)O)cc1 ZINC000586939998 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc([C@H](N)N=O)cc3[nH]2)[C@H](C)O)cc1 ZINC000586939999 HD Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc([C@@H](N)N=O)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586940000 HD Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000586940050 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000586940099 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000586940109 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cccc(Cl)c3[nH]2)cc1 ZINC000586940117 HD Annotated Mild Cc1cc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1F ZINC000586940123 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(F)cc(F)c3[nH]2)cc1 ZINC000586940138 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000586940139 HD Annotated Mild Cc1cc(Cl)cc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586940140 HD Annotated Mild CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1 ZINC000586940227 HD Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1 ZINC000586940228 HD Annotated Anodyne CC1=C(c2ccc3nc([C@@H](C)NS(=O)(=O)c4cnn(C)c4)[nH]c3c2)NNC(=O)C1 ZINC000586940294 HD Annotated Anodyne C=CCc1cccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586940296 HD Annotated Mild CC1=C(c2ccc3nc([C@H](C)NS(=O)(=O)c4cnn(C)c4)[nH]c3c2)NNC(=O)C1 ZINC000586940298 HD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586940299 HD Annotated Mild C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586940302 HD Annotated Mild CSc1ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586940360 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000586940366 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000586940388 HD Annotated Mild Cc1cc(F)c2[nH]c(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nc2c1 ZINC000586940392 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000586940439 HD Annotated Mild Cc1c(F)ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586940451 HD Annotated Mild Cc1c(Cl)ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586940467 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000586940469 HD Annotated Mild CC(=O)c1ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586940491 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000586940494 HD Annotated Mild Cc1cnc(Cl)c2[nH]c(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nc12 ZINC000586940505 HD Annotated Mild Cc1cc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1Cl ZINC000586940519 HD Annotated Mild N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000586940521 HD Annotated Mild Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3c(O)ncnc3[nH]2)cc1 ZINC000586940544 HD Annotated Anodyne COc1cc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1F ZINC000586940623 HD Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000586940716 HD Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(N)=O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940732 HD Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000586940814 HD Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000586940815 HD Annotated Anodyne O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1F ZINC000586940997 HD Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(N)c(N)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941019 HD Annotated Bother O=C(O)c1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1F ZINC000586941056 HD Annotated Anodyne O=S(=O)(NCc1nc2c(S)nc(S)nc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941066 HD Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586941080 HD Annotated Anodyne N[C@H](N=O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586941081 HD Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(=N)N)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941120 HD Annotated Bother CN(C)C(=O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586941304 HD Annotated Anodyne CCOC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586941613 HD Annotated Anodyne COc1cc(OC)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586941652 HD Annotated Anodyne COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586941723 HD Annotated Anodyne O=C1COc2cc3[nH]c(CNS(=O)(=O)c4ccc5c(c4)OCCO5)nc3cc2N1 ZINC000586941755 HD Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1[N+](=O)[O-] ZINC000586941756 HD Annotated Bother O=S(=O)(NCc1nc2c(O)nc(O)nc2[nH]1)c1ccc(Br)s1 ZINC000586941812 HD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586941844 HD Annotated Anodyne NC(=O)c1cccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586941882 HD Annotated Anodyne Nc1nc(O)c2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2n1 ZINC000586941891 HD Annotated Anodyne O=S(=O)(NCCc1nc2c(O)nc(O)nc2[nH]1)c1c(Cl)cccc1Cl ZINC000586941920 HD Annotated Anodyne COC(=O)c1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1OC ZINC000586942028 HD Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cccc(C(N)=O)c3[nH]2)cc1[N+](=O)[O-] ZINC000586942046 HD Annotated Bother COC(=O)c1cccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586942051 HD Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000586942069 HD Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000586942072 HD Annotated Anodyne O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc2c(c1)OCCO2 ZINC000586942078 HD Annotated Anodyne COC(=O)c1cc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2cc1OC ZINC000586942109 HD Annotated Anodyne O=S(=O)(NCCc1nc2nc(Br)c[nH]c-2n1)c1ccc(Cl)nc1 ZINC000586942150 HD Annotated Anodyne O=S(=O)(NCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc2c(c1)OCCO2 ZINC000586942158 HD Annotated Anodyne O=C(O)c1cc(F)cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586942232 HD Annotated Anodyne O=S(=O)(NCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942262 HD Annotated Anodyne O=S(=O)(NCCc1nc2c(S)nc(S)nc2[nH]1)c1ccc(Cl)nc1 ZINC000586942268 HD Annotated Anodyne O=S(=O)(NCCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(Cl)nc1 ZINC000586942283 HD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000586942515 HD Annotated Anodyne O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc2c(c1)OCCO2 ZINC000586942535 HD Annotated Anodyne O=C1COc2cc3[nH]c(CCNS(=O)(=O)c4ccc(Cl)nc4)nc3cc2N1 ZINC000586942562 HD Annotated Anodyne N#Cc1nc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2nc1C#N ZINC000586942583 HD Annotated Mild N#Cc1nc(Cl)cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586942627 HD Annotated Mild CNS(=O)(=O)NCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586942729 HD Annotated Anodyne NC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586942897 HD Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000586942981 HD Annotated Anodyne O=S(=O)(O)c1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 ZINC000586943152 HD Annotated Anodyne O=S(=O)(NCCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586943164 HD Annotated Anodyne N#Cc1nc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2nc1C#N ZINC000586943209 HD Annotated Mild CCS(=O)(=O)NCCCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000586943219 HD Annotated Anodyne N=c1[nH]c2nc(CNS(=O)(=O)c3ccc(Br)s3)nc-2c(Cl)[nH]1 ZINC000586943290 HD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586943292 HD Annotated Anodyne O=S(=O)(NCc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Br)s1 ZINC000586943296 HD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCCNS(=O)(=O)CC)[nH]c2c1 ZINC000586944004 HD Annotated Anodyne Nc1nc(O)c2nc(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)[nH]c2n1 ZINC000586944125 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586945212 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586945214 HD Annotated Anodyne N#Cc1nc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2nc1C#N ZINC000586945454 HD Annotated Mild CC1=C(c2ccc3nc(-c4cc(CNS(C)(=O)=O)oc4C)[nH]c3c2)NNC(=O)C1 ZINC000586945456 HD Annotated Anodyne Nc1nc(O)c2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2n1 ZINC000586945601 HD Annotated Anodyne O=[N+]([O-])c1cnc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2c1 ZINC000586945836 HD Annotated Bother O=[N+]([O-])c1cnc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2c1 ZINC000586945838 HD Annotated Bother Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586945878 HD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586945950 HD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000586945968 HD Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 ZINC000586945976 HD Annotated Bother O=[N+]([O-])c1cncc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 ZINC000586945978 HD Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000586946141 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000586946151 HD Annotated Anodyne Nc1nc(Cl)c2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2n1 ZINC000586946252 HD Annotated Anodyne Nc1nc(Cl)c2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2n1 ZINC000586946253 HD Annotated Anodyne NNC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586946376 HD Annotated Reactive CNS(=O)(=O)c1cc(-c2nc3cc(C4=C(C)CC(=O)NN4)ccc3[nH]2)n(C)c1 ZINC000586946679 HD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3ncc(I)cc3[nH]2)n(C)c1 ZINC000586946703 HD Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586946837 HD Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586946839 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586946886 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586946889 HD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)n(C)c1 ZINC000586946941 HD Annotated Anodyne N#Cc1nc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc-2[nH]c1C#N ZINC000586947083 HD Annotated Mild N#Cc1nc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc-2[nH]c1C#N ZINC000586947086 HD Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586947184 HD Annotated Mild Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586947185 HD Annotated Mild COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2n1 ZINC000586947310 HD Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2n1 ZINC000586947311 HD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)n(C)c1 ZINC000586947624 HD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12 ZINC000586948087 HD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 ZINC000586948567 HD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 ZINC000586949064 HD Annotated Clean N=c1[nH]cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc-2[nH]1 ZINC000586950464 HD Annotated Anodyne O=S(=O)(Cc1nc2c(O)nc(O)nc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950891 HD Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc12 ZINC000586950902 HD Annotated Anodyne N=c1[nH]cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc-2[nH]1 ZINC000586951147 HD Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(O)ncnc3[nH]2)c1 ZINC000586951440 HD Annotated Anodyne Nc1nc(O)c2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2n1 ZINC000586951504 HD Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586951527 HD Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cnnc(O)c3[nH]2)c1 ZINC000586951715 HD Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC1 ZINC000586953570 HD Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC1 ZINC000586953592 HD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586954317 HD Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC1 ZINC000586954440 HD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 ZINC000586954477 HD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(I)cnc3[nH]2)CC1 ZINC000586954558 HD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cccc(I)c3[nH]2)CC1 ZINC000586954668 HD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c2N)C1 ZINC000586954734 HD Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 ZINC000586954756 HD Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cccnc4[nH]3)CC2)CC1 ZINC000586954922 HD Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2n1 ZINC000586954938 HD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2N)C1 ZINC000586954967 HD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 ZINC000586955011 HD Annotated Bother Cc1cnc2[nH]c(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)nc2c1 ZINC000586955061 HD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2N)C1 ZINC000586955122 HD Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc12 ZINC000586955187 HD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2N)C1 ZINC000586955289 HD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2N)C1 ZINC000586955290 HD Annotated Anodyne COC(=O)c1cccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 ZINC000586955298 HD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 ZINC000586955306 HD Annotated Clean Cc1ccnc2[nH]c(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)nc12 ZINC000586955315 HD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC1 ZINC000586955334 HD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2N)C1 ZINC000586955337 HD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(I)cc3[nH]2)CC1 ZINC000586955439 HD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2N)C1 ZINC000586955685 HD Annotated Anodyne Cc1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2n1 ZINC000586955756 HD Annotated Anodyne COC(=O)c1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cn1 ZINC000586955956 HD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(S)nc(S)nc4[nH]3)c2N)C1 ZINC000586955957 HD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2N)C1 ZINC000586955969 HD Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(F)cnc4[nH]3)CC2)CC1 ZINC000586955972 HD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2N)C1 ZINC000586955976 HD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4nc(Br)c[nH]c-4n3)c2N)C1 ZINC000586955997 HD Annotated Anodyne Cc1cncc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c12 ZINC000586956101 HD Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cccc(O)c4[nH]3)CC2)CC1 ZINC000586956161 HD Annotated Anodyne COc1ccc(Cc2nc3cc(N)c(N)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956429 HD Annotated Anodyne COc1ccc(Cc2nc3c(C)nccc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956444 HD Annotated Anodyne COc1ccc(Cc2nc3c(N)ccnc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956470 HD Annotated Anodyne COc1ccc(Cc2nc3cc(C)cnc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956525 HD Annotated Anodyne COc1ccc(Cc2nc3nc(Cl)c[nH]c-3n2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956560 HD Annotated Anodyne COc1ccc(Cc2nc3cc(F)cnc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956600 HD Annotated Anodyne COc1ccc(Cc2nc3cncc(C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956616 HD Annotated Anodyne COc1ccc(Cc2nc3cccc(O)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956690 HD Annotated Anodyne COc1ccc(Cc2nc3ccc(C)nc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956764 HD Annotated Anodyne COc1cc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2cn1 ZINC000586956809 HD Annotated Anodyne COc1ccc(Cc2nc3cncc(OC)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956955 HD Annotated Anodyne COc1ccc(Cc2nc3cnc(Cl)[nH]c-3n2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956988 HD Annotated Anodyne COc1ccc(Cc2nc3ccnc(OC)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957238 HD Annotated Anodyne COc1ccc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2n1 ZINC000586957309 HD Annotated Anodyne COc1ccc(Cc2nc3ccnc(O)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957356 HD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586957526 HD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586957527 HD Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586957542 HD Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(O)ncnc3[nH]2)cc1 ZINC000586957589 HD Annotated Mild COC(=O)c1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1OC ZINC000586957598 HD Annotated Anodyne COC(=O)c1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1OC ZINC000586957599 HD Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccnc(N)c3[nH]2)cc1 ZINC000586957608 HD Annotated Mild COC(=O)c1cc2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2cc1OC ZINC000586957806 HD Annotated Anodyne COC(=O)c1cc2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2cc1OC ZINC000586957807 HD Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cccnc4[nH]3)c2c1)N1CCOCC1 ZINC000586958031 HD Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cnnc(O)c3[nH]2)cc1 ZINC000586958308 HD Annotated Mild CN(C)S(=O)(=O)c1cccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586958324 HD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586958325 HD Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(N)ncnc3[nH]2)cc1 ZINC000586958348 HD Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccnc(O)c3[nH]2)cc1 ZINC000586959029 HD Annotated Mild CN(C)CCOc1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586959045 HD Annotated Anodyne CN(C)CCOc1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586959048 HD Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(N)ccnc3[nH]2)cc1 ZINC000586959080 HD Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000586959575 HD Annotated Mild CN(C)S(=O)(=O)c1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586959656 HD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586959657 HD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586959709 HD Annotated Bother C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586959710 HD Annotated Bother Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(N)ncc3[nH]2)cc1 ZINC000586960488 HD Annotated Mild C[C@H](Sc1ncccn1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586963334 HD Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586963335 HD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586965229 HD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586965304 HD Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(O)nc(S)nc2[nH]1 ZINC000586965410 HD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586965445 HD Annotated Anodyne O=S(=O)(c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1)N1CCOCC1 ZINC000586966472 HD Annotated Anodyne O=C(c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1)N1CCN(CCO)CC1 ZINC000586968366 HD Annotated Anodyne O=S(=O)(c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1)N1CCOCC1 ZINC000586969395 HD Annotated Anodyne O=C(CBr)NCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586971405 HD Annotated Reactive COc1cc(Br)c([C@@H](N)c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1OC ZINC000586973932 HD Annotated Mild COc1cc(Br)c([C@H](N)c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1OC ZINC000586973939 HD Annotated Mild O=C1COc2cc(Br)ccc2N1CCc1nc2c(O)nc(O)nc2[nH]1 ZINC000587001124 HD Annotated Anodyne N#Cc1nc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2nc1C#N ZINC000587002852 HD Annotated Mild Nc1nc(O)c2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2n1 ZINC000587003275 HD Annotated Anodyne CCCc1sc(N)nc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587013072 HD Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)s1 ZINC000587021348 HD Annotated Anodyne C[C@H](O)c1ncc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)s1 ZINC000587021349 HD Annotated Anodyne NNC(=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 ZINC000587023737 HD Annotated Reactive N=c1[nH]c2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc-2c(Cl)[nH]1 ZINC000587024061 HD Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)s1 ZINC000587024170 HD Annotated Anodyne N#Cc1nc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2nc1C#N ZINC000587025842 HD Annotated Mild O=C(CCc1nc2c(O)nc(S)nc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587026455 HD Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587029174 HD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(S(N)(=O)=O)c4[nH]3)cc12 ZINC000587036875 HD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(S(N)(=O)=O)c4[nH]3)cc12 ZINC000587036883 HD Annotated Anodyne O=S(=O)(c1ccc2nc(Cc3csc4nccn34)[nH]c2c1)N1CCOCC1 ZINC000587039966 HD Annotated Anodyne O=C(c1ccc2nc(Cc3csc4nccn34)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587040746 HD Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1Cl ZINC000587064400 HD Annotated Anodyne Cc1onc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080733 HD Annotated Mild C[C@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587082301 HD Annotated Anodyne C[C@@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587082302 HD Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587087444 HD Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587092445 HD Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587092451 HD Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)C(F)(F)F)n1 ZINC000587092787 HD Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)C(F)(F)F)n1 ZINC000587092791 HD Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)C(F)(F)F)n1 ZINC000587094949 HD Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)C(F)(F)F)n1 ZINC000587094951 HD Annotated Anodyne O=C1c2ccccc2-c2cc(-c3nc([C@@H](O)[C@H](O)[C@H](O)CO)c[nH]3)nc3cccc1c23 ZINC000587108291 HD Annotated Anodyne NNC(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587112589 HD Annotated Reactive NS(=O)(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587113838 HD Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587114431 HD Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587117143 HD Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587117317 HD Annotated Bother Cn1nc(C(F)(F)F)cc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587118375 HD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587120967 HD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587121068 HD Annotated Reactive Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587128552 HD Annotated Mild Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(O)nc(S)nc2[nH]1 ZINC000587129197 HD Annotated Anodyne Cn1nnc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1C(F)F ZINC000587129304 HD Annotated Anodyne COc1c(F)ccc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1N ZINC000587132583 HD Annotated Anodyne O=S(=O)(NCc1nc2nc(Br)c[nH]c-2n1)c1ccc(F)c(F)c1F ZINC000587134389 HD Annotated Anodyne COC(=O)c1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cn1 ZINC000587135481 HD Annotated Anodyne O=S(=O)(NCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587135638 HD Annotated Anodyne O=C1COc2cc3[nH]c(CNS(=O)(=O)c4ccc(F)c(F)c4F)nc3cc2N1 ZINC000587135680 HD Annotated Anodyne O=S(=O)(O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587135696 HD Annotated Anodyne NS(=O)(=O)c1cccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587135788 HD Annotated Anodyne COC(=O)c1ccnc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc12 ZINC000587135887 HD Annotated Anodyne COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2n1 ZINC000587136004 HD Annotated Anodyne O=S(=O)(NCc1nc2c(S)nc(S)nc2[nH]1)c1ccc(F)c(F)c1F ZINC000587136399 HD Annotated Anodyne N[C@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(F)cc1F ZINC000587148838 HD Annotated Anodyne N[C@]1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587155411 HD Annotated Anodyne N[C@@]1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155418 HD Annotated Anodyne N[C@@]1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587155419 HD Annotated Anodyne N[C@]1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155420 HD Annotated Anodyne NS(=O)(=O)c1cccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 ZINC000587163091 HD Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1)c1ccc(F)cc1 ZINC000587170742 HD Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1)c1ccc(F)cc1 ZINC000587170743 HD Annotated Anodyne Nc1nc(O)c2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2n1 ZINC000587171513 HD Annotated Anodyne Nc1nc(O)c2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2n1 ZINC000587171518 HD Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587179198 HD Annotated Mild Cn1nc(-c2nc3cnc(Cl)[nH]c-3n2)c(I)c1C(=O)O ZINC000587179442 HD Annotated Anodyne Cn1nc(-c2nc3nc(Cl)c[nH]c-3n2)c(I)c1C(=O)O ZINC000587179666 HD Annotated Anodyne Cn1nc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(I)c1C(=O)O ZINC000587179756 HD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587179785 HD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2ncnc(Cl)c2[nH]1 ZINC000587180109 HD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587180113 HD Annotated Anodyne Cn1nc(-c2nc3cc4c(cc3[nH]2)OCO4)c(I)c1C(=O)O ZINC000587180340 HD Annotated Anodyne Cn1nc(-c2nc3c(Cl)ncnc3[nH]2)c(I)c1C(=O)O ZINC000587180408 HD Annotated Anodyne Cn1nc(-c2nc3ccc(CCO)cc3[nH]2)c(I)c1C(=O)O ZINC000587180620 HD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2nc(Cl)ncc2[nH]1 ZINC000587180634 HD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2nc(N)nc(Cl)c2[nH]1 ZINC000587180770 HD Annotated Anodyne Cn1nc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(I)c1C(=O)O ZINC000587181028 HD Annotated Bother Cn1nc(C(=O)O)c(I)c1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587181030 HD Annotated Anodyne Cn1nc(-c2nc3c(O)nc(S)nc3[nH]2)c(I)c1C(=O)O ZINC000587181040 HD Annotated Anodyne Cn1nc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(I)c1C(=O)O ZINC000587181151 HD Annotated Bother Cn1nc(C(=O)O)c(I)c1-c1nc2c([N+](=O)[O-])cncc2[nH]1 ZINC000587181251 HD Annotated Bother Cn1nc(C(=O)O)c(I)c1-c1nc2cc3[nH]c(O)nc3cc2[nH]1 ZINC000587181395 HD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2ncc([N+](=O)[O-])cc2[nH]1 ZINC000587181408 HD Annotated Bother Cn1nc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(I)c1C(=O)O ZINC000587181522 HD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(CCO)ccc2[nH]1 ZINC000587181534 HD Annotated Anodyne Cn1nc(-c2nc3cccc(C(=O)O)c3[nH]2)c(I)c1C(=O)O ZINC000587181574 HD Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587181720 HD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)n1 ZINC000587181774 HD Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3nc(O)nc(O)c3I)nc12 ZINC000587181792 HD Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587181849 HD Annotated Bother Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587181878 HD Annotated Reactive Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587181879 HD Annotated Reactive O=C(O)c1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1F ZINC000587181883 HD Annotated Anodyne COC(=O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2n1 ZINC000587181963 HD Annotated Anodyne N#Cc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1C#N ZINC000587181984 HD Annotated Mild Cc1c(I)cnn1[C@H](C)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587182029 HD Annotated Mild Cc1c(I)cnn1[C@@H](C)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587182031 HD Annotated Mild O=[N+]([O-])c1cnc2[nH]c(-c3nc(O)nc(O)c3I)nc2c1 ZINC000587182429 HD Annotated Bother N#Cc1nc(Cl)cc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587182499 HD Annotated Mild O=C1CCc2cc3nc(-c4nc(O)nc(O)c4I)[nH]c3cc2N1 ZINC000587182710 HD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)n1 ZINC000587182741 HD Annotated Anodyne COC(=O)c1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cn1 ZINC000587182759 HD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc4c(cc3[nH]2)OCCO4)n1 ZINC000587182761 HD Annotated Anodyne COC(=O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587183119 HD Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587183200 HD Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587183201 HD Annotated Anodyne COC(=O)c1cccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587183277 HD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)n1 ZINC000587183454 HD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c(S)nc(S)nc3[nH]2)n1 ZINC000587183547 HD Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184054 HD Annotated Anodyne CC[C@H](c1nc2c(O)nc(O)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587184288 HD Annotated Anodyne CC[C@@H](c1nc2c(O)nc(O)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587184290 HD Annotated Anodyne O=C(O)c1nn(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1I ZINC000587184536 HD Annotated Bother O=C(O)Cn1cc(I)c(-c2nc3ncnc(Cl)c3[nH]2)n1 ZINC000587184831 HD Annotated Anodyne O=C(O)c1nn(Cc2nc3c(Cl)ncnc3[nH]2)cc1I ZINC000587184874 HD Annotated Anodyne O=C(O)c1nn(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1I ZINC000587184877 HD Annotated Anodyne O=C(O)c1nn(Cc2nc3cc4c(cc3[nH]2)OCO4)cc1I ZINC000587184981 HD Annotated Anodyne O=C(O)c1nn(Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1I ZINC000587185069 HD Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)n1 ZINC000587185268 HD Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3nc(Cl)ncc3[nH]2)n1 ZINC000587185545 HD Annotated Anodyne N#Cc1cc2nc(-c3nn(CC(=O)O)cc3I)[nH]c2cc1C#N ZINC000587185631 HD Annotated Mild O=C(O)c1nn(Cc2nc3cnc(Cl)[nH]c-3n2)cc1I ZINC000587185739 HD Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc4c(cc3[nH]2)OCO4)n1 ZINC000587185945 HD Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc4[nH]ncc4cc3[nH]2)n1 ZINC000587185959 HD Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)n1 ZINC000587186138 HD Annotated Bother N#Cc1nc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2nc1C#N ZINC000587186280 HD Annotated Mild N#Cc1nc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2nc1C#N ZINC000587186284 HD Annotated Mild O=C(O)c1nn(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1I ZINC000587186403 HD Annotated Bother O=C(O)c1nn(Cc2nc3ccc(CCO)cc3[nH]2)cc1I ZINC000587186460 HD Annotated Anodyne N#Cc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1C#N ZINC000587186476 HD Annotated Mild O=C(O)c1nn(Cc2nc3cccc(C(=O)O)c3[nH]2)cc1I ZINC000587186494 HD Annotated Anodyne O=C(O)c1nn(Cc2nc3nc(Cl)c[nH]c-3n2)cc1I ZINC000587186509 HD Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)n1 ZINC000587186555 HD Annotated Bother O=C(O)c1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587186568 HD Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3nc(Cl)c[nH]c-3n2)n1 ZINC000587186605 HD Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186761 HD Annotated Anodyne N#Cc1ccc(OCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000587191817 HD Annotated Mild O=C(c1ccc2[nH]c(C=NOCc3ccccc3)nc2c1)N1CCN(CCO)CC1 ZINC000587192137 HD Annotated Mild NS(=O)(=O)c1cccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 ZINC000587193424 HD Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587194355 HD Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587196152 HD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1 ZINC000587202009 HD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1 ZINC000587202010 HD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(I)cnc2[nH]1 ZINC000587202327 HD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(I)cnc2[nH]1 ZINC000587202328 HD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1 ZINC000587203181 HD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1 ZINC000587203182 HD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587203555 HD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587203556 HD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587205170 HD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587205171 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587217573 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587217579 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587217809 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587217810 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587218676 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587218680 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587218682 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587218683 HD Annotated Anodyne COc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587219713 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587220564 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587220567 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587220569 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587220571 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587220645 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587220646 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587220647 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587220648 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587220663 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587220665 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587220666 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587220667 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)O ZINC000587221105 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)O ZINC000587221108 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)O ZINC000587221110 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)O ZINC000587221112 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587221142 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587221144 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587221146 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587221148 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587221150 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587221153 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587221154 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587221156 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccc(Br)c2[nH]1 ZINC000587221209 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccc(Br)c2[nH]1 ZINC000587221217 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cccc(Br)c2[nH]1 ZINC000587221220 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cccc(Br)c2[nH]1 ZINC000587221223 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)O ZINC000587221976 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)O ZINC000587221977 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)O ZINC000587221979 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)O ZINC000587221980 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587222537 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587222538 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587222540 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587222541 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587222613 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587222615 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587222617 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587222618 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(Br)cc2[nH]1 ZINC000587222756 HD Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(Br)cc2[nH]1 ZINC000587222758 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(Br)cc2[nH]1 ZINC000587222760 HD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(Br)cc2[nH]1 ZINC000587222763 HD Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587225252 HD Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587225258 HD Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587225406 HD Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587225408 HD Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587226553 HD Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587226654 HD Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587227019 HD Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587227432 HD Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587227769 HD Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587227917 HD Annotated Anodyne O=C(O)CNCCNCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587228309 HD Annotated Anodyne O=C(O)CNCCNCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587228348 HD Annotated Anodyne O=C(O)CNCCNCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587228801 HD Annotated Anodyne O=C(O)CNCCNCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587228810 HD Annotated Anodyne O=C(O)CNCCNCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587228919 HD Annotated Anodyne COC(=O)c1cc2nc(CNCCNCC(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587229234 HD Annotated Anodyne O=C(O)CNCCNCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587229605 HD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587229658 HD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587229659 HD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587229660 HD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587229661 HD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000587229840 HD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 ZINC000587229937 HD Annotated Bother COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000587230253 HD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587230455 HD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587230456 HD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587230457 HD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587230458 HD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000587230526 HD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 ZINC000587230573 HD Annotated Bother COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(C(N)=O)c3[nH]2)c1 ZINC000587231595 HD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000587232058 HD Annotated Mild COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(Cl)ncnc3[nH]2)c1 ZINC000587232096 HD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000587232251 HD Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CCC(O)CC1 ZINC000587236676 HD Annotated Anodyne O=C(/C=C/c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)Nc1ccccc1 ZINC000587244284 HD Annotated Anodyne O=C(/C=C\c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)Nc1ccccc1 ZINC000587244287 HD Annotated Anodyne NCCOCCOCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587246336 HD Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587249377 HD Annotated Anodyne Nc1cccc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1C(=O)O ZINC000587250397 HD Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587250731 HD Annotated Anodyne Cc1ccc(CCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1N ZINC000587250830 HD Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000587251637 HD Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000587252336 HD Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587255317 HD Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc(I)cnc3[nH]2)c1 ZINC000587259369 HD Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587260098 HD Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587260537 HD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587262402 HD Annotated Mild N=c1[nH]c2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc-2c(Cl)[nH]1 ZINC000587263359 HD Annotated Bother N#Cc1nc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2nc1C#N ZINC000587263459 HD Annotated Mild C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(S)nc2[nH]1 ZINC000587265406 HD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(S)nc2[nH]1 ZINC000587265407 HD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(S)nc2[nH]1 ZINC000587265408 HD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(S)nc2[nH]1 ZINC000587265409 HD Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587265412 HD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587265417 HD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587265418 HD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587265419 HD Annotated Bother CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587265649 HD Annotated Bother CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587265846 HD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587266146 HD Annotated Mild C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587266149 HD Annotated Mild C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587266152 HD Annotated Mild C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587266155 HD Annotated Mild C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587266925 HD Annotated Reactive C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587266929 HD Annotated Reactive C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587266930 HD Annotated Reactive C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587266931 HD Annotated Reactive Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587267784 HD Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587267785 HD Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587268549 HD Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587269826 HD Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587270561 HD Annotated Bother N[C@@H](CCc1nc2nc(Br)c[nH]c-2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271026 HD Annotated Bother N[C@@H](CCc1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271332 HD Annotated Bother N[C@@H](CCc1nc2c(S)nc(S)nc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271621 HD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2nc(Br)c[nH]c-2n1 ZINC000587271652 HD Annotated Bother N#Cc1nc(Cl)cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587271731 HD Annotated Mild COC(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587272130 HD Annotated Bother COC(=O)c1cccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587272152 HD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587272607 HD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587272610 HD Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)n1 ZINC000587273062 HD Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587273154 HD Annotated Bother N[C@@H](N=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587273186 HD Annotated Bother N[C@H](N=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587273189 HD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Br)cnc2[nH]1 ZINC000587273254 HD Annotated Bother O=C(O)c1cc(F)cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587273271 HD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Br)nc2[nH]1 ZINC000587273445 HD Annotated Bother CCOC(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587273810 HD Annotated Bother N[C@@H](CCc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587273814 HD Annotated Bother N[C@@H](CCc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587273851 HD Annotated Bother O=C1CCc2cc3nc([C@@H](O)[C@H](O)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3cc2N1 ZINC000587273890 HD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccnc(Br)c2[nH]1 ZINC000587273980 HD Annotated Bother CN(C)C(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587274081 HD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cncc(Br)c2[nH]1 ZINC000587274097 HD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(Br)ccnc2[nH]1 ZINC000587274128 HD Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587274952 HD Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587274953 HD Annotated Bother NS(=O)(=O)c1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 ZINC000587275714 HD Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276518 HD Annotated Bother CS(=O)(=O)N1CCC(C(=O)c2c(CO)oc3cc(Br)cnc23)CC1 ZINC000587276522 HD Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276523 HD Annotated Bother C[C@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277406 HD Annotated Bother C[C@@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277407 HD Annotated Bother C[C@]1(CC(=O)N2CCNC(=O)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345065 HD Annotated Anodyne C[C@@]1(CC(=O)N2CCNC(=O)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345072 HD Annotated Anodyne C[C@]1(CC(=O)N2CCNC(=O)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345319 HD Annotated Anodyne C[C@@]1(CC(=O)N2CCNC(=O)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345322 HD Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CO)O[C@@H](CO)C2=O)[C@H]1c1ccc(F)cc1 ZINC000587357547 HD Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CO)O[C@H](CO)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587357549 HD Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CO)O[C@H](CO)C2=O)[C@H]1c1ccc(F)cc1 ZINC000587357551 HD Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CO)O[C@@H](CO)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587357553 HD Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1nc2nc(O)nc(O)c2cc1CC(F)(F)F ZINC000587369122 HD Annotated Anodyne COC(=O)c1cc(I)c(-c2ccc3c(O)nc(O)nc3n2)[nH]1 ZINC000587369204 HD Annotated Anodyne COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376893 HD Annotated Reactive COC(=O)C[C@H](Br)[C@]1(C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376894 HD Annotated Reactive COC(=O)C[C@@H](Br)[C@@]1(C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376897 HD Annotated Reactive COC(=O)C[C@@H](Br)[C@]1(C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376898 HD Annotated Reactive CCOC(=O)c1nnn(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C(=O)OCC ZINC000587391050 HD Annotated Anodyne CCOC(=O)c1nnn(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C(=O)OCC ZINC000587391051 HD Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392297 HD Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392299 HD Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392300 HD Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392302 HD Annotated Anodyne C#CCN1C(=O)[C@@H](C(=O)OCC)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cccnc21 ZINC000587398373 HD Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cccnc21 ZINC000587398374 HD Annotated Mild C#CCN1C(=O)[C@@H](C(=O)OCC)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cccnc21 ZINC000587398375 HD Annotated Mild C#CCN1C(=O)[C@H](C(=O)OCC)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cccnc21 ZINC000587398376 HD Annotated Mild CCCN1C(=O)N[C@]2(O)[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3[C@]12O ZINC000587401190 HD Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3[C@@]12O ZINC000587401202 HD Annotated Anodyne CCCN1C(=O)N[C@@]2(O)[C@@]1(O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401204 HD Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3[C@]12O ZINC000587401206 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)NCC(=O)O)cc1)O2 ZINC000587408276 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)NCC(=O)O)cc1)O2 ZINC000587408287 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@@H](O)[C@@H]1O[C@@H](c3ccccc3)OC[C@H]1O)O2 ZINC000587409179 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](O)[C@@H](O)[C@@H]1O[C@@H](c3ccccc3)OC[C@H]1O)O2 ZINC000587409183 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](O)[C@@H](O)[C@@H]1O[C@H](c3ccccc3)OC[C@H]1O)O2 ZINC000587409185 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@@H](O)[C@@H]1O[C@H](c3ccccc3)OC[C@H]1O)O2 ZINC000587409188 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587409633 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587409643 HD Annotated Anodyne COC(=O)[C@H]1N(C)S(=O)(=O)c2ccsc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409751 HD Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409757 HD Annotated Anodyne COC(=O)[C@H]1N(C)S(=O)(=O)c2ccsc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409758 HD Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccsc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409760 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(S(=O)(=O)NCC(=O)O)c1)O2 ZINC000587409990 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(S(=O)(=O)NCC(=O)O)c1)O2 ZINC000587409992 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2S(=O)(=O)N(C)[C@H]1C(=O)O ZINC000587410429 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)O ZINC000587410432 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)O ZINC000587410435 HD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2S(=O)(=O)N(C)[C@H]1C(=O)O ZINC000587410436 HD Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587411691 HD Annotated Anodyne COC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587411707 HD Annotated Anodyne COC(=O)[C@H]1N(C)S(=O)(=O)c2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587411709 HD Annotated Anodyne COC(=O)[C@H]1N(C)S(=O)(=O)c2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587411710 HD Annotated Anodyne COC(=O)C[C@@H](Br)[C@@]1(C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414606 HD Annotated Reactive COC(=O)C[C@@H](Br)[C@]1(C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414610 HD Annotated Reactive COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414611 HD Annotated Reactive COC(=O)C[C@H](Br)[C@]1(C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414613 HD Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(N)nc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587418291 HD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(N)nc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587418309 HD Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431707 HD Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431711 HD Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431713 HD Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431714 HD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)C(=O)c4cc(OC)cc(OC)c41)[C@@H](C2)C3=O ZINC000587434820 HD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(C)C(=O)c4cc(OC)cc(OC)c41)[C@@H](C2)C3=O ZINC000587434821 HD Annotated Anodyne COC(=O)[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434934 HD Annotated Anodyne COC(=O)[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434937 HD Annotated Anodyne COC(=O)c1nnn(C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C(=O)OC ZINC000587437857 HD Annotated Anodyne COC(=O)c1nnn(C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C(=O)OC ZINC000587437858 HD Annotated Anodyne COC(=O)[C@H]1CN(Cc2ccccn2)C(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440452 HD Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440453 HD Annotated Anodyne COC(=O)[C@H]1CN(Cc2ccccn2)C(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440454 HD Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440455 HD Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441525 HD Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C(=O)OCC)CC1=O ZINC000587441543 HD Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C(=O)OCC)CC1=O ZINC000587441545 HD Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441547 HD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)NCC14CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587445622 HD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)NCC14CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587445623 HD Annotated Anodyne CCCN1C(=O)N[C@@]2(O)[C@@]1(O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445636 HD Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3ccccc3[C@]12O ZINC000587445643 HD Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3ccccc3[C@@]12O ZINC000587445647 HD Annotated Anodyne CCCN1C(=O)N[C@]2(O)[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3ccccc3[C@]12O ZINC000587445651 HD Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(S(=O)(=O)NCC(=O)O)c1)[C@@H](C2)C3=O ZINC000587448622 HD Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(S(=O)(=O)NCC(=O)O)c1)[C@@H](C2)C3=O ZINC000587448628 HD Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)NCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587448706 HD Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)NCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587448707 HD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)NCCCO)cc1)[C@@H](C2)C3=O ZINC000587449559 HD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)NCCCO)cc1)[C@@H](C2)C3=O ZINC000587449563 HD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)NCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587450324 HD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)NCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587450327 HD Annotated Anodyne CCOC(=O)[C@H]([C@H]1CCS(=O)(=O)C1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452186 HD Annotated Anodyne CCOC(=O)[C@H]([C@H]1CCS(=O)(=O)C1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452187 HD Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452188 HD Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452190 HD Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@H](O)COCc1ccccc1)[C@@H](C2)C3=O ZINC000587456654 HD Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@H](O)[C@H](O)COCc1ccccc1)[C@@H](C2)C3=O ZINC000587456657 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(C(=NOCC(=O)OC)C(=O)O)CC2=O ZINC000587460297 HD Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(C(=NOCC(=O)OC)C(=O)O)CC2=O ZINC000587460299 HD Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(CC(=O)NCCNC(=O)CC(C)=O)CC2=O ZINC000587472156 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)NCCNC(=O)CC(C)=O)CC2=O ZINC000587472157 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cn1nnc(C(=O)OC)c1C(=O)OC)CC2=O ZINC000587474908 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cn1nnc(C(=O)OC)c1C(=O)OC)CC2=O ZINC000587474911 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C3C(=C/C1=N\NC(N)=O)[C@@H](O)CN3C)CC2=O ZINC000587475214 HD Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(C=C3C(=CC1=NNC(N)=O)[C@H](O)CN3C)CC2=O ZINC000587475218 HD Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=C3C(=C/C1=N\NC(N)=O)[C@H](O)CN3C)CC2=O ZINC000587475219 HD Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(C=C3C(=CC1=NNC(N)=O)[C@@H](O)CN3C)CC2=O ZINC000587475220 HD Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(C=C3C(=C/C1=N\NC(N)=O)[C@H](O)CN3C)CC2=O ZINC000587475221 HD Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=C3C(=CC1=NNC(N)=O)[C@H](O)CN3C)CC2=O ZINC000587475222 HD Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=C3C(=CC1=NNC(N)=O)[C@@H](O)CN3C)CC2=O ZINC000587475223 HD Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=C3C(=C/C1=N\NC(N)=O)[C@@H](O)CN3C)CC2=O ZINC000587475224 HD Annotated Reactive CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H](O)[C@H](O)COCc1ccccc1)CC2=O ZINC000587476509 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@H](O)[C@H](O)COCc1ccccc1)CC2=O ZINC000587476512 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OC)C(=O)C[C@@H]1C(=O)OC ZINC000587480769 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OC)C(=O)C[C@@H]1C(=O)OC ZINC000587480779 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OC)C(=O)C[C@H]1C(=O)OC ZINC000587480783 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OC)C(=O)C[C@H]1C(=O)OC ZINC000587480788 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(S(N)(=O)=O)cc21 ZINC000587482919 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(S(N)(=O)=O)cc21 ZINC000587482920 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc3[nH]c(=O)c(=O)[nH]c3c1)CC2=O ZINC000587487186 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc3[nH]c(=O)c(=O)[nH]c3c1)CC2=O ZINC000587487197 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cc(S(N)(=O)=O)cn1C)CC2=O ZINC000587488773 HD Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cc(S(N)(=O)=O)cn1C)CC2=O ZINC000587488782 HD Annotated Anodyne CN1C[C@H](O)C2=CC(=NNC(N)=O)[C@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587513114 HD Annotated Reactive CN1C[C@@H](O)C2=CC(=NNC(N)=O)[C@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587513116 HD Annotated Reactive CN1C[C@H](O)C2=C/C(=N\NC(N)=O)[C@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587513118 HD Annotated Reactive CN1C[C@H](O)C2=CC(=NNC(N)=O)[C@@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587513121 HD Annotated Reactive CN1C[C@@H](O)C2=C/C(=N\NC(N)=O)[C@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587513124 HD Annotated Reactive CN1C[C@H](O)C2=C/C(=N\NC(N)=O)[C@@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587513126 HD Annotated Reactive CN1C[C@@H](O)C2=C/C(=N\NC(N)=O)[C@@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587513127 HD Annotated Reactive CN1C[C@@H](O)C2=CC(=NNC(N)=O)[C@@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587513129 HD Annotated Reactive CC(=O)CC(=O)NCCNC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513369 HD Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513372 HD Annotated Anodyne Cn1cc(S(N)(=O)=O)cc1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532086 HD Annotated Anodyne Cn1cc(S(N)(=O)=O)cc1[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532093 HD Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@H]2CN1C(=O)OC ZINC000587556632 HD Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@H]2CN1C(=O)OC ZINC000587556640 HD Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@@H]2CN1C(=O)OC ZINC000587556641 HD Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@@H]2CN1C(=O)OC ZINC000587556642 HD Annotated Anodyne C[C@@H]1CN(C(=O)[C@H]2Cc3nc4nc(O)nc(O)c4cc32)CCN1C(=O)OC(C)(C)C ZINC000587557550 HD Annotated Anodyne C[C@@H]1CN(C(=O)[C@@H]2Cc3nc4nc(O)nc(O)c4cc32)CCN1C(=O)OC(C)(C)C ZINC000587557551 HD Annotated Anodyne CC(=O)n1nc(N2C(=O)C=C(c3ccc4c(O)nc(O)nc4n3)C2=O)c2ccccc21 ZINC000587557929 HD Annotated Anodyne O=C1c2ccccc2N/C(=C/N2CCOCC2)N1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587557935 HD Annotated Anodyne O=C1c2ccccc2N/C(=C\N2CCOCC2)N1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587557936 HD Annotated Anodyne COC(=O)[C@H]1C[C@H]2c3nc4nc(O)nc(O)c4cc3C[C@@H]1N2C(=O)OC(C)(C)C ZINC000587558087 HD Annotated Anodyne COC(=O)[C@@H]1C[C@H]2c3nc4nc(O)nc(O)c4cc3C[C@@H]1N2C(=O)OC(C)(C)C ZINC000587558223 HD Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1Cc2nc3nc(O)nc(O)c3cc21 ZINC000587558829 HD Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1Cc2nc3nc(O)nc(O)c3cc21 ZINC000587558830 HD Annotated Anodyne O=C(CCc1cc2c(O)nc(O)nc2nc1-c1ccccc1)ON1C(=O)CCC1=O ZINC000587558906 HD Annotated Mild CCOC(=O)[C@@H]1C[C@@H]2c3cc4c(O)nc(O)nc4nc3CC[C@@H]2CN1C(=O)OC ZINC000587559417 HD Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3cc4c(O)nc(O)nc4nc3CC[C@H]2CN1C(=O)OC ZINC000587559432 HD Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3cc4c(O)nc(O)nc4nc3CC[C@H]2CN1C(=O)OC ZINC000587559435 HD Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3cc4c(O)nc(O)nc4nc3CC[C@@H]2CN1C(=O)OC ZINC000587559437 HD Annotated Anodyne COC(=O)[C@@H]1c2nc3nc(O)nc(O)c3cc2[C@H]2CC3(C[C@@H]21)OCC(C)(C)CO3 ZINC000587563259 HD Annotated Anodyne COC(=O)[C@@H]1c2nc3nc(O)nc(O)c3cc2[C@@H]2CC3(C[C@H]12)OCC(C)(C)CO3 ZINC000587563261 HD Annotated Anodyne COC(=O)[C@@H]1c2nc3nc(O)nc(O)c3cc2[C@H]2CC3(C[C@H]21)OCC(C)(C)CO3 ZINC000587563262 HD Annotated Anodyne COC(=O)[C@@H]1c2nc3nc(O)nc(O)c3cc2[C@@H]2CC3(C[C@@H]12)OCC(C)(C)CO3 ZINC000587563264 HD Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587563678 HD Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587563683 HD Annotated Anodyne CN(CCCC(=O)O)S(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587564111 HD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2nc(Br)c[nH]c-2n1 ZINC000587566365 HD Annotated Anodyne O=Cc1ccc(OCCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000587566543 HD Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2c1c(O)nc(=O)n2C ZINC000587576235 HD Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2c1c(O)nc(=O)n2C ZINC000587576254 HD Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2c1c(O)nc(=O)n2C ZINC000587576256 HD Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2c1c(O)nc(=O)n2C ZINC000587576257 HD Annotated Anodyne CN(C)c1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(=O)n(C)c(=O)n1C ZINC000587583310 HD Annotated Anodyne CN(C)c1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(=O)n(C)c(=O)n1C ZINC000587583311 HD Annotated Anodyne CN(C)c1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(=O)n(C)c(=O)n1C ZINC000587583312 HD Annotated Anodyne CN(C)c1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(=O)n(C)c(=O)n1C ZINC000587583313 HD Annotated Anodyne N#CCNC(=O)CN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584431 HD Annotated Mild N#CCNC(=O)CN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584432 HD Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COC(CN1CCOCC1)=CC2=O ZINC000587594571 HD Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COC(CN1CCOCC1)=CC2=O ZINC000587594578 HD Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COC(CN1CCOCC1)=CC2=O ZINC000587594580 HD Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COC(CN1CCOCC1)=CC2=O ZINC000587594583 HD Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CN1CCOCC1)OCC2=O ZINC000587594981 HD Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CN1CCOCC1)OCC2=O ZINC000587594984 HD Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CN1CCOCC1)OCC2=O ZINC000587594987 HD Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CN1CCOCC1)OCC2=O ZINC000587594989 HD Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@]3(C1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1)N2 ZINC000587596237 HD Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@@]3(C1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1)N2 ZINC000587596238 HD Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@]3(C1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1)N2 ZINC000587596239 HD Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@@]3(C1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1)N2 ZINC000587596240 HD Annotated Anodyne CN(C)S(=O)(=O)n1nccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605182 HD Annotated Anodyne CN(C)S(=O)(=O)n1nccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605183 HD Annotated Anodyne CN(C)S(=O)(=O)n1nccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605184 HD Annotated Anodyne CN(C)S(=O)(=O)n1nccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605185 HD Annotated Anodyne CC1(C)O[C@@H](CO)[C@@H]([C@@H](O)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587606351 HD Annotated Anodyne CC1(C)O[C@@H](CO)[C@@H]([C@@H](O)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587606352 HD Annotated Anodyne CC1(C)O[C@@H](CO)[C@@H]([C@@H](O)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587606354 HD Annotated Anodyne CC1(C)O[C@@H](CO)[C@@H]([C@@H](O)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587606355 HD Annotated Anodyne CN(C)S(=O)(=O)n1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606945 HD Annotated Anodyne CN(C)S(=O)(=O)n1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606946 HD Annotated Anodyne CN(C)S(=O)(=O)n1ccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606947 HD Annotated Anodyne CN(C)S(=O)(=O)n1ccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606948 HD Annotated Anodyne CN(C)S(=O)(=O)n1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587611022 HD Annotated Anodyne CN(C)S(=O)(=O)n1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587611023 HD Annotated Anodyne CN(C)S(=O)(=O)n1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587611024 HD Annotated Anodyne CN(C)S(=O)(=O)n1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587611025 HD Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622612 HD Annotated Anodyne CCOC(=O)c1nnn(-c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c1C(=O)OCC ZINC000587650681 HD Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nc2)CC1 ZINC000587653594 HD Annotated Anodyne O=C(CS(=O)(=O)Cn1cc(Cl)cn1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653682 HD Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ncccc1S(=O)(=O)N1CCOCC1 ZINC000587654509 HD Annotated Anodyne CN1CCN(S(=O)(=O)c2cccnc2-n2ncc3ccc(Cl)cc3c2=O)CC1 ZINC000587654617 HD Annotated Anodyne O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654860 HD Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000587655118 HD Annotated Anodyne Cn1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(=O)n(C)c1=O ZINC000587657598 HD Annotated Anodyne C[C@H](NS(C)(=O)=O)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657609 HD Annotated Anodyne C[C@@H](NS(C)(=O)=O)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657611 HD Annotated Anodyne CN(CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)S(C)(=O)=O ZINC000587658401 HD Annotated Anodyne Cn1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(=O)n(C)c1=O ZINC000587659963 HD Annotated Anodyne O=C(Cn1ncn2nccc2c1=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660479 HD Annotated Anodyne O=C(CN1CCS(=O)(=O)CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662116 HD Annotated Anodyne O=C(N[C@H]1CCS(=O)(=O)C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662187 HD Annotated Anodyne O=C(N[C@@H]1CCS(=O)(=O)C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662189 HD Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CC(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587666958 HD Annotated Reactive CCN(CC)c1ccc(-c2nn(CCS(N)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667464 HD Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cnnn3)c(=O)c3ccccc23)c(O)c1 ZINC000587668109 HD Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CC(=O)NN)c(=O)c3ccccc23)cc1OCC ZINC000587671320 HD Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(c(O)nc(=O)n3C)n2C)N1 ZINC000587753167 HD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3c(c(O)nc(=O)n3C)n2C)N1 ZINC000587753172 HD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(c(O)nc(=O)n3C)n2C)N1 ZINC000587753174 HD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3c(c(O)nc(=O)n3C)n2C)N1 ZINC000587753176 HD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(c(O)nc(=O)n3C)n2C)N1 ZINC000587756014 HD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3c(c(O)nc(=O)n3C)n2C)N1 ZINC000587756015 HD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(c(O)nc(=O)n3C)n2C)N1 ZINC000587756016 HD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3c(c(O)nc(=O)n3C)n2C)N1 ZINC000587756017 HD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C[C@H](N)C(=O)O)CC2=O)N1 ZINC000587760492 HD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C[C@H](N)C(=O)O)CC2=O)N1 ZINC000587760493 HD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C[C@H](N)C(=O)O)CC2=O)N1 ZINC000587760494 HD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C[C@H](N)C(=O)O)CC2=O)N1 ZINC000587760497 HD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C[C@H](N)C(=O)O)CC2=O)N1 ZINC000587761525 HD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C[C@H](N)C(=O)O)CC2=O)N1 ZINC000587761526 HD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C[C@H](N)C(=O)O)CC2=O)N1 ZINC000587761527 HD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C[C@H](N)C(=O)O)CC2=O)N1 ZINC000587761528 HD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C[C@H](N)C(=O)O)C=CC2=O)N1 ZINC000587761949 HD Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C[C@H](N)C(=O)O)C=CC2=O)N1 ZINC000587761951 HD Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C[C@H](N)C(=O)O)C=CC2=O)N1 ZINC000587761952 HD Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C[C@H](N)C(=O)O)C=CC2=O)N1 ZINC000587761953 HD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C[C@H](N)C(=O)O)C=CC2=O)N1 ZINC000587763028 HD Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C[C@H](N)C(=O)O)C=CC2=O)N1 ZINC000587763029 HD Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C[C@H](N)C(=O)O)C=CC2=O)N1 ZINC000587763030 HD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C[C@H](N)C(=O)O)C=CC2=O)N1 ZINC000587763031 HD Annotated Mild COc1ccc(C=O)cc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587787706 HD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N3CCNC(=O)C3=C2)N1 ZINC000587789412 HD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N3CCNC(=O)C3=C2)N1 ZINC000587789417 HD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N3CCNC(=O)C3=C2)N1 ZINC000587789424 HD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N3CCNC(=O)C3=C2)N1 ZINC000587789426 HD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N3CCNC(=O)C3=C2)N1 ZINC000587790430 HD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N3CCNC(=O)C3=C2)N1 ZINC000587790432 HD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N3CCNC(=O)C3=C2)N1 ZINC000587790433 HD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N3CCNC(=O)C3=C2)N1 ZINC000587790436 HD Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840302 HD Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840303 HD Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840304 HD Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840305 HD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(CN[C@@H]2CCS(=O)(=O)C2)N1 ZINC000587842018 HD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(CN[C@H]2CCS(=O)(=O)C2)N1 ZINC000587842019 HD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(CN[C@@H]2CCS(=O)(=O)C2)N1 ZINC000587842020 HD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(CN[C@H]2CCS(=O)(=O)C2)N1 ZINC000587842021 HD Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587842516 HD Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587842517 HD Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587842518 HD Annotated Anodyne CCO[C@@H]1[C@@H]([C@@H](O)CO)OC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587842519 HD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(CN[C@@H]2CCS(=O)(=O)C2)N1 ZINC000587842894 HD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(CN[C@H]2CCS(=O)(=O)C2)N1 ZINC000587842895 HD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(CN[C@@H]2CCS(=O)(=O)C2)N1 ZINC000587842896 HD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(CN[C@H]2CCS(=O)(=O)C2)N1 ZINC000587842897 HD Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000587863018 HD Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCS(=O)(=O)CC1 ZINC000587864677 HD Annotated Anodyne CCN=c1nc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)[nH]c(=NCC)[nH]1 ZINC000587868681 HD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCS(=O)(=O)CC1 ZINC000587869497 HD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1ncn2nccc2c1=O ZINC000587869757 HD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000587869913 HD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000587869914 HD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000587870171 HD Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nn(C)c(=O)n(C)c1=O ZINC000587871697 HD Annotated Anodyne CCOC(=O)c1nn(-c2ncnc3c2c(Br)nn3C)c(OCC)c1C#N ZINC000587876247 HD Annotated Mild CCOC(=O)c1nn(C(=O)c2nn(CC)cc2Br)c(OCC)c1C#N ZINC000587876581 HD Annotated Mild CCOC(=O)c1nn(C(=O)c2c(Br)c(C)nn2C)c(OCC)c1C#N ZINC000587876862 HD Annotated Mild CCOC(=O)c1nn(C(=O)Cn2ncc(Br)c2C)c(OCC)c1C#N ZINC000587876937 HD Annotated Mild O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)n1nc2cc1oc1ccc(F)cc21 ZINC000587877002 HD Annotated Anodyne CCOC(=O)c1nn(C(=O)Cn2cc(Br)c(C)n2)c(OCC)c1C#N ZINC000587877175 HD Annotated Mild CCOC(=O)c1nn(C(=O)c2nn(C)c(C)c2Br)c(OCC)c1C#N ZINC000587877182 HD Annotated Mild COC(=O)c1nn(CC(N)=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587885409 HD Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NCCOCCO)nc1 ZINC000587887590 HD Annotated Mild NNC(=O)c1cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587890952 HD Annotated Reactive CCCn1c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O ZINC000587890971 HD Annotated Mild O=C(O)Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)nc1=O ZINC000587891108 HD Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncn(Cc2ncon2)c1=O ZINC000587891264 HD Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1S(N)(=O)=O ZINC000587895878 HD Annotated Mild Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(N)(=O)=O ZINC000587896549 HD Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(N)(=O)=O ZINC000587896923 HD Annotated Mild Nc1ncc(S(=O)(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897214 HD Annotated Mild COc1ccc(Cl)cc1C#C/C=C\c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O ZINC000587899313 HD Annotated Mild COc1ccc(Cl)cc1C#C/C=C/c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O ZINC000587899314 HD Annotated Mild O=C(O)Cc1c(CC(=O)O)c(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587935760 HD Annotated Bother O=C(O)Cc1c(CC(=O)O)c(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587938460 HD Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2nn(-c3ncccn3)cc2Br)c1OC ZINC000587939001 HD Annotated Anodyne O=C1Cc2c3c(n(-c4nn(-c5ncccn5)cc4Br)c2O1)OC(=O)C3 ZINC000587939869 HD Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587939977 HD Annotated Anodyne CCOc1cc(-n2c(O)c(CC(=O)O)c(CC(=O)O)c2O)c(Cl)cc1C(=O)O ZINC000587940458 HD Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587940753 HD Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587940759 HD Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1nn(-c2ncccn2)cc1Br)C(=O)O ZINC000587940968 HD Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cnc(C)c(Br)n2)c1OC ZINC000587941523 HD Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1c[nH]cc(Br)c1=O ZINC000587941582 HD Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1cc(C(=O)O)ncc1Br)C(=O)O ZINC000587941697 HD Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2c[nH]cc(Br)c2=O)c1OC ZINC000587942376 HD Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cnc(C)c(Br)n1 ZINC000587942445 HD Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)c(CC(=O)O)c(CC(=O)O)c1O ZINC000587944145 HD Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)c(CC(=O)O)c(CC(=O)O)c1O ZINC000587944146 HD Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2n[nH]c(-c3ccccc3F)n2)c1OC ZINC000587944738 HD Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1OC ZINC000587945000 HD Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2n[nH]c(-c3ccccc3F)n2)c1OC ZINC000587945011 HD Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1nc(N2CCCCC2)ncc1F ZINC000587945793 HD Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1OC ZINC000587946091 HD Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587946351 HD Annotated Anodyne O=C(O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587946400 HD Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587946640 HD Annotated Anodyne O=C(O)[C@H]1C(c2nc3c(Br)cnc(Br)c3[nH]2)[C@@H]1C(=O)O ZINC000587970292 HD Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)[C@H]1C(=O)O ZINC000587970295 HD Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587970297 HD Annotated Anodyne O=C(O)[C@H]1C(c2nc3c(I)cnc(Cl)c3[nH]2)[C@@H]1C(=O)O ZINC000587970536 HD Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)[C@H]1C(=O)O ZINC000587970537 HD Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587970538 HD Annotated Anodyne O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NN3CCOCC3)c(F)cc1-2 ZINC000059029494 HD Annotated Anodyne C#C[C@H](Cc1cccc(F)c1)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000059185907 HD Annotated Mild Cc1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@H]2O)ccc2c1O/C(=C\c1ccc(O)cc1)C2=O ZINC000059774714 HD Annotated Mild Cc1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@@H]2O)ccc2c1O/C(=C\c1ccc(O)cc1)C2=O ZINC000059774716 HD Annotated Mild Cc1cc2c(c(C)c1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)O[C@H](c1ccccc1)CC2=O ZINC000059775313 HD Annotated Anodyne Cc1cc2c(c(C)c1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)O[C@H](c1ccccc1)CC2=O ZINC000059775321 HD Annotated Anodyne Cc1cc2c(c(C)c1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)O[C@@H](c1ccccc1)CC2=O ZINC000059775328 HD Annotated Anodyne Cc1cc2c(c(C)c1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)O[C@@H](c1ccccc1)CC2=O ZINC000059775335 HD Annotated Anodyne C[C@H]1O[C@@H](Oc2cc(O)cc3c2C(=O)C[C@H](c2ccc(O)cc2)O3)[C@H](O)[C@@H](O)[C@H]1O ZINC000059776252 HD Annotated Anodyne C[C@@H]1O[C@@H](Oc2cc(O)cc3c2C(=O)C[C@H](c2ccc(O)cc2)O3)[C@H](O)[C@@H](O)[C@H]1O ZINC000059776258 HD Annotated Anodyne C[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)[C@H](O)[C@@H](O)[C@H]1O ZINC000059776275 HD Annotated Anodyne C[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)CC3=O)[C@H](O)[C@@H](O)[C@H]1O ZINC000059776277 HD Annotated Anodyne C[C@H]1O[C@@H](Oc2ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2)[C@@H](O)[C@H](O)[C@H]1O ZINC000059776453 HD Annotated Anodyne C[C@@H]1O[C@@H](Oc2ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc2)[C@@H](O)[C@H](O)[C@H]1O ZINC000059776457 HD Annotated Anodyne CCCNC(=O)Cn1cnc2sc(C(=O)N3CCN(CCC)CC3)c(C)c2c1=O ZINC000059784908 HD Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccco2)C1 ZINC000059833506 HD Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccco2)C1 ZINC000059833507 HD Annotated Anodyne CN(c1ccc(C(=O)NC[C@H]2CN(c3ccccc3)CCN2)cc1)S(C)(=O)=O ZINC000006013398 HD Annotated Anodyne O=C(N/N=C\C=C\c1ccc([N+](=O)[O-])o1)C(=O)N/N=C\C=C\c1ccc([N+](=O)[O-])o1 ZINC000006018918 HD Annotated Reactive COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000006030551 HD Annotated Mild in-vitro COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@@H](C)[C@@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000006030555 HD Annotated Mild in-vitro COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000006030556 HD Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@@H](C)[C@@]3(C)[C@H](O)CC=C(CO)CO)C1=O ZINC000006066989 HD Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@@H](C)[C@]3(C)[C@H](O)CC=C(CO)CO)C1=O ZINC000006067119 HD Annotated Mild in-vitro Cc1cnc(C(=O)CCO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c2[nH]c3ccccc3c12 ZINC000006072052 HD Annotated Anodyne in-vitro C(=N/NC1=NCCN1)\C1c2ccccc2C(/C=N/NC2=NCCN2)c2ccccc21 ZINC000006117150 HD Annotated Mild N#Cc1nc(C#N)n(S(=O)(=O)c2ccccc2)c1NS(=O)(=O)c1ccccc1 ZINC000006244587 HD Annotated Mild CN(C)/C=N/S(=O)(=O)c1nn2c(C=O)c(-c3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000006244602 HD Annotated Mild C=CCn1c(=O)/c(=C\c2ccc(O)cc2)s/c1=C(/C#N)c1nnc2n1CCCCC2 ZINC000006343475 HD Annotated Mild O=C1CCC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NCCO1 ZINC000006344198 HD Annotated Anodyne CCOC(=O)[C@@]1(C(=O)/C([N+]#N)=C(\O)OCC)CCN(C(=O)c2ccccc2)C1=O ZINC000006385442 HD Annotated Mild CCOC(=O)[C@]1(C(=O)/C([N+]#N)=C(\O)OCC)CCN(C(=O)c2ccccc2)C1=O ZINC000006385444 HD Annotated Mild COc1cc([C@H]2C(C(=O)O)=C(CO)Oc3cc4c(cc32)OCO4)cc(OC)c1O ZINC000006403499 HD Annotated Anodyne COc1ccc(NC(=O)CC/C(CC(=O)c2ccco2)=N/NC(=O)C(N)=O)cc1 ZINC000006411296 HD Annotated Reactive Cc1ccc(S(=O)(=O)C2=c3ncccc3=C3C(=O)c4ccccc4C(=O)[C@H]32)cc1 ZINC000006487310 HD Annotated Clean CC(=O)O[C@@H]1C(=O)[C@H](C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H]1[C@]23C ZINC000006488581 HD Annotated Anodyne CO[C@@]12CCCN3C(=O)c4cc(Br)c(Br)n4[C@]31NC(=N)N2 ZINC000060274319 HD Annotated Anodyne CCOC(=O)CCNC(=O)N1CCC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000061688089 HD Annotated Clean CCOC(=O)CCNC(=O)N1CCC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000061688090 HD Annotated Clean CCCN(CCC)Cc1c(C(=O)N/N=C\c2ccncc2)nnn1-c1nonc1N ZINC000061878117 HD Annotated Reactive CCCN(CCC)Cc1c(C(=O)N/N=C\c2ccoc2)nnn1-c1nonc1N ZINC000061878118 HD Annotated Reactive Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061895880 HD Annotated Anodyne Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061895881 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccc3snnc3c2)C1 ZINC000061895986 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3snnc3c2)C1 ZINC000061895987 HD Annotated Anodyne COc1ccc(CCNC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1OC ZINC000061896138 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC000061897427 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC000061897430 HD Annotated Anodyne COc1ccc(CC(=O)N2CC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)cc1OC ZINC000061898260 HD Annotated Anodyne COc1ccc(CC(=O)N2CC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)cc1OC ZINC000061898264 HD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)c1ccco1 ZINC000061898413 HD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)c1ccco1 ZINC000061898417 HD Annotated Anodyne Cc1cc(C(=O)N2CC[C@@]2(C)C(=O)NS(=O)(=O)c2ccccc2Cl)nn1C ZINC000061902826 HD Annotated Anodyne Cc1cc(C(=O)N2CC[C@]2(C)C(=O)NS(=O)(=O)c2ccccc2Cl)nn1C ZINC000061902827 HD Annotated Anodyne COC(=O)c1ccc(C(=O)N2CCC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)cc1 ZINC000061903410 HD Annotated Anodyne COC(=O)c1ccc(C(=O)N2CCC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)cc1 ZINC000061903411 HD Annotated Anodyne O=C(NCCc1cccs1)Nc1ccc2nc([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]c2c1 ZINC000061903512 HD Annotated Anodyne COc1ccc(CCNC(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1OC ZINC000061905262 HD Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2ccco2)c1 ZINC000061905326 HD Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2ccco2)c1 ZINC000061905327 HD Annotated Anodyne COc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2cccc(F)c2)cc1 ZINC000061905578 HD Annotated Anodyne COc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2cccc(F)c2)cc1 ZINC000061905579 HD Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000061905763 HD Annotated Mild Cc1noc(C)c1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000061905764 HD Annotated Mild Cc1cc(C(=O)N2CC[C@@]2(C)C(=O)NS(=O)(=O)c2ccc(F)cc2F)nn1C ZINC000061905877 HD Annotated Anodyne Cc1cc(C(=O)N2CC[C@]2(C)C(=O)NS(=O)(=O)c2ccc(F)cc2F)nn1C ZINC000061905878 HD Annotated Anodyne O=C(NCc1cccs1)c1ccc2sc(C3=C[C@@H](O)[C@@H](O)[C@@H](CO)O3)nc2c1 ZINC000061906206 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cncc(Br)c2)C1 ZINC000061906306 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cncc(Br)c2)C1 ZINC000061906307 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000061906616 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000061906617 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC000061908328 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc(C(C)(C)C)nn2C)C1 ZINC000061908329 HD Annotated Anodyne O=C(Cn1cc(-c2ccccn2)nn1)NS(=O)(=O)c1cccc(OC(F)F)c1 ZINC000061908449 HD Annotated Anodyne OC[C@@H]1CN(Cc2cccs2)C[C@H](n2cnc3c(N4CCOCC4)ncnc32)O1 ZINC000061908692 HD Annotated Anodyne O=C(Nc1nnc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)s1)Nc1cccc2c1CCCC2 ZINC000061908906 HD Annotated Anodyne COc1ccc([C@H]2N[C@]3(CCCN(Cc4ccco4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921214 HD Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(Cc4cccn4C)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921235 HD Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000061921565 HD Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000061921581 HD Annotated Anodyne C[C@@H](CO)NC(=O)c1[nH]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000061921628 HD Annotated Anodyne C[C@H](O)CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000061921629 HD Annotated Anodyne C[C@H](CO)NC(=O)c1[nH]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000061921630 HD Annotated Anodyne C[C@@H](O)CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000061921631 HD Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000061921766 HD Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000061921769 HD Annotated Anodyne CNC[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000061921807 HD Annotated Anodyne CNC[C@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000061921808 HD Annotated Anodyne CNC[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000061921809 HD Annotated Anodyne C[C@@H]1Cn2cnc(C(=O)NCc3ccc(CNC(=O)OC(C)(C)C)cc3)c2C(=O)N1 ZINC000061921865 HD Annotated Anodyne C[C@H]1Cn2cnc(C(=O)NCc3ccc(CNC(=O)OC(C)(C)C)cc3)c2C(=O)N1 ZINC000061921867 HD Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NC2CCCC2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921908 HD Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NC2CCCC2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921910 HD Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)CC(C(=O)N2CCOCC2)=C1C ZINC000061921981 HD Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)CC(C(=O)N2CCOCC2)=C1C ZINC000061921982 HD Annotated Anodyne CNC[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000061922113 HD Annotated Anodyne CNC[C@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000061922114 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCC3CC3)O[C@H](CO)[C@H]1O2 ZINC000061922788 HD Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@H](CC(=O)NCCCN(C)C)C1 ZINC000061922954 HD Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@@H](CC(=O)NCCCN(C)C)C1 ZINC000061922957 HD Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccccc1 ZINC000061923460 HD Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCCN(C)C)C(=O)N1Cc1ccccc1 ZINC000061923463 HD Annotated Anodyne COc1ccc(C(=O)N2CCC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)c(OC)c1 ZINC000061925752 HD Annotated Anodyne COc1ccc(C(=O)N2CCC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)c(OC)c1 ZINC000061925753 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2c(OC)cccc2OC)C1 ZINC000061926100 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2c(OC)cccc2OC)C1 ZINC000061926101 HD Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(F)cc1F ZINC000061926369 HD Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(F)cc1F ZINC000061926370 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000061927106 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000061927107 HD Annotated Anodyne CCc1nc2ccc(C(=O)NCCN3CCNC3=O)cn2c1N(CC)CCOC ZINC000061927337 HD Annotated Anodyne Cc1cnc(CNC(=O)c2ccc3sc([C@H]4C[C@H](O)[C@@H](CO)O4)nc3c2)cn1 ZINC000061927811 HD Annotated Anodyne Cc1cc(C(=O)N2CCC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)nn1C(C)(C)C ZINC000061927973 HD Annotated Anodyne Cc1cc(C(=O)N2CCC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)nn1C(C)(C)C ZINC000061927975 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccc(OC)cc2OC)C1 ZINC000061928466 HD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(OC)cc2OC)C1 ZINC000061928469 HD Annotated Anodyne Cc1cc(C(=O)N2CCC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)n(C(C)(C)C)n1 ZINC000061928744 HD Annotated Anodyne Cc1cc(C(=O)N2CCC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)n(C(C)(C)C)n1 ZINC000061928746 HD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)c1cccc(F)c1 ZINC000061929027 HD Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)c1cccc(F)c1 ZINC000061929029 HD Annotated Mild CCNC(=O)N(C)c1c(CC)nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cn12 ZINC000061929174 HD Annotated Anodyne Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061929589 HD Annotated Anodyne Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061929590 HD Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N2/C1=N/Cc1ccccc1 ZINC000061942177 HD Annotated Mild CCC/N=C1\N(C)C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C(=O)OC)N12 ZINC000061942229 HD Annotated Mild CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](CC)(C(=O)OC)N2/C1=N/C ZINC000061942243 HD Annotated Mild CC(=O)Nc1ccc(S(=O)(=O)N2Cc3cnnn3-c3ccccc3[C@@H]2C#N)cc1 ZINC000061942510 HD Annotated Mild CC(=O)Nc1ccc(S(=O)(=O)N2Cc3cnnn3-c3ccccc3[C@H]2C#N)cc1 ZINC000061942511 HD Annotated Mild CCOC(=O)c1cc2c(c(CCO)n1)[C@H](CCO)N(S(=O)(=O)C(C)(C)C)C2 ZINC000061943327 HD Annotated Anodyne CCOC(=O)c1cc2c(c(CCO)n1)[C@@H](CCO)N(S(=O)(=O)C(C)(C)C)C2 ZINC000061943342 HD Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SC)N1[C@@]2(Cc1ccccc1)C(=O)OC ZINC000061944581 HD Annotated Anodyne CC[C@]1(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SC)N21 ZINC000061944612 HD Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCc3ccccc3)N1[C@@]2(CC)C(=O)OC ZINC000061944625 HD Annotated Anodyne CC[C@]1(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(C)cc3)N21 ZINC000061944635 HD Annotated Anodyne CC[C@]1(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCc3ccccc3)N21 ZINC000061944636 HD Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCc3ccc(C)cc3)N1[C@@]2(C)C(=O)OC ZINC000061944657 HD Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCc3ccccc3)N1[C@@]2(C)C(=O)OC ZINC000061944658 HD Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(C#N)cc3)N21 ZINC000061944667 HD Annotated Mild COC(=O)[C@@]1(C)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(Cl)cc3)N21 ZINC000061944669 HD Annotated Anodyne COC(=O)[C@@]1(C)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(C)cc3)N21 ZINC000061944671 HD Annotated Anodyne C#CCNCCS(=O)(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)O ZINC000061944839 HD Annotated Mild O=S1(=O)[C@H]2C[C@H](CO)O[C@@]2(CO)CN1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000061944843 HD Annotated Anodyne C[C@H](OC(=O)NCCCO[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O)[C@@H]1O[C@@]2(C)CCC[C@@H]1O2 ZINC000061944986 HD Annotated Anodyne C[C@@H]1O[C@@H](OCCCNC(=O)O[C@@H](C)[C@@H]2O[C@@]3(C)CCC[C@@H]2O3)[C@@H](O)C[C@@H]1O ZINC000061944990 HD Annotated Anodyne Cc1ccc(NC(=O)c2ncn(CC(=O)N3CCN(c4ccccn4)CC3)n2)cc1C ZINC000061945188 HD Annotated Anodyne CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)Nc1ccccc1 ZINC000061947109 HD Annotated Anodyne C[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000061948353 HD Annotated Anodyne C[C@@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000061948376 HD Annotated Anodyne O=C1CCC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NCCO1 ZINC000061948435 HD Annotated Anodyne O=C(C[C@H]1C/C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)NCCO ZINC000061948466 HD Annotated Anodyne O=C(C[C@H]1C/C=C\C[C@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)NCCO ZINC000061948477 HD Annotated Anodyne O=C(C[C@@H]1C/C=C\C[C@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)NCCO ZINC000061948481 HD Annotated Anodyne C[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@H](CC(=O)NCCO)C(=O)N1 ZINC000061948486 HD Annotated Anodyne O=C(C[C@H]1C/C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)NCCO ZINC000061948513 HD Annotated Anodyne C[C@H]1COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C\C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000061948574 HD Annotated Anodyne C[C@H]1COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C\C[C@H](CC(=O)NCCO)C(=O)N1 ZINC000061948583 HD Annotated Anodyne O=C(C[C@@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)NCCO ZINC000061948592 HD Annotated Anodyne C[C@@H]1COC(=O)[C@H](Cc2ccc(F)cc2)C/C=C\C[C@@H](CC(=O)NCCO)C(=O)N1 ZINC000061948608 HD Annotated Anodyne C=CCNC(=O)c1cccc2c1C(=O)c1ccc(N3CCOCC3)cc1S2(=O)=O ZINC000061948757 HD Annotated Mild CN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](Cc3ccccc3)(C1=O)N2C(=O)c1ccccc1 ZINC000061949113 HD Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](CC)(C1=O)N2C(=O)c1ccc(Cl)cc1 ZINC000061949129 HD Annotated Anodyne CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@@H]31)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061949150 HD Annotated Anodyne CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@@H]31)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000061949157 HD Annotated Anodyne CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(C)C(=O)[C@@H]31)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000061949161 HD Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000061949185 HD Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000061949190 HD Annotated Anodyne CCN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(C(F)(F)F)cc1 ZINC000061949194 HD Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccccc1 ZINC000061949214 HD Annotated Anodyne CN1C[C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000061949222 HD Annotated Anodyne Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3cc(Cl)ccc32)n[nH]1 ZINC000618005653 HD Annotated Anodyne C[C@H](O)[C@H](O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@@]2(O)[C@]2(C)CCCC(C)(C)[C@@H]12 ZINC000618005932 HD Annotated Anodyne C[C@H](O)[C@@H](O)/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@@]2(O)[C@]2(C)CCCC(C)(C)[C@@H]12 ZINC000618005933 HD Annotated Anodyne CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cccc[n+]2[O-])CC1 ZINC000618007698 HD Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cccnc2O)CC1 ZINC000618007700 HD Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)Cc1ccc(OC)cc1OC ZINC000618007724 HD Annotated Reactive Cc1cnc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)cn1 ZINC000618007814 HD Annotated Reactive Cc1cnc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)cn1 ZINC000618007815 HD Annotated Reactive Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSSCCN(C)C)cc1 ZINC000618008616 HD Annotated Reactive CN(C)CCSSCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C ZINC000618009006 HD Annotated Reactive Cc1ccc(S(=O)(=O)NCC(=O)NCCCSSCCN(C)C)cc1 ZINC000618009340 HD Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)cn2)C1 ZINC000618010005 HD Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)nn2)C1 ZINC000618011761 HD Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(O)no2)C1 ZINC000618011795 HD Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCN(C(=O)c2ccc3nn[nH]c3c2)C1 ZINC000618011809 HD Annotated Reactive NC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H]1NC(=O)[C@@H]2[C@@H](N1)SC[C@@H]2c1ccco1 ZINC000618012312 HD Annotated Anodyne NC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H]1NC(=O)[C@@H]2[C@H](N1)SC[C@H]2c1ccco1 ZINC000618012319 HD Annotated Anodyne NC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H]1NC(=O)[C@H]2[C@@H](c3ccco3)CS[C@H]2N1 ZINC000618012320 HD Annotated Anodyne NC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H]1NC(=O)[C@@H]2[C@@H](N1)SC[C@H]2c1ccco1 ZINC000618012321 HD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1cccnc1-n1cccn1 ZINC000618012440 HD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1cccnc1-n1cccn1 ZINC000618012445 HD Annotated Anodyne O=C(CCN1NC(=O)CCC1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 ZINC000618012941 HD Annotated Anodyne CCc1nc(C2(NC(=O)C[C@@H]3C(=O)N[C@@H](c4ncccn4)N[C@H]3C)CCCC2)no1 ZINC000618013278 HD Annotated Anodyne CCc1nc(C2(NC(=O)C[C@@H]3C(=O)N[C@H](c4ncccn4)N[C@H]3C)CCCC2)no1 ZINC000618013280 HD Annotated Anodyne CCc1nc(C2(NC(=O)C[C@@H]3C(=O)N[C@@H](c4ncccn4)N[C@@H]3C)CCCC2)no1 ZINC000618013281 HD Annotated Anodyne CCc1nc(C2(NC(=O)C[C@@H]3C(=O)N[C@H](c4ncccn4)N[C@@H]3C)CCCC2)no1 ZINC000618013282 HD Annotated Anodyne Cc1nc(CN2CCN(C(=O)CC[C@@H]3NC(=O)[C@H]4CCCC[C@@H]4N3)CC2)cs1 ZINC000618013369 HD Annotated Anodyne Cc1nc(CN2CCN(C(=O)CC[C@@H]3NC(=O)[C@H]4CCCC[C@H]4N3)CC2)cs1 ZINC000618013381 HD Annotated Anodyne Cc1nc(CN2CCN(C(=O)CC[C@@H]3NC(=O)[C@@H]4CCCC[C@H]4N3)CC2)cs1 ZINC000618013382 HD Annotated Anodyne Cc1nc(CN2CCN(C(=O)CC[C@@H]3NC(=O)[C@@H]4CCCC[C@@H]4N3)CC2)cs1 ZINC000618013383 HD Annotated Anodyne CC(=O)[C@@H]1S[C@@H]2N[C@H](CN(C)CC(=O)Nc3ccc(Cl)cc3)NC(=O)[C@H]2[C@@H]1C ZINC000618013440 HD Annotated Anodyne CC(=O)[C@@H]1S[C@@H]2N[C@H](CN(C)CC(=O)Nc3ccc(Cl)cc3)NC(=O)[C@@H]2[C@@H]1C ZINC000618013444 HD Annotated Anodyne CC(=O)[C@@H]1S[C@@H]2N[C@H](CN(C)CC(=O)Nc3ccc(Cl)cc3)NC(=O)[C@@H]2[C@H]1C ZINC000618013445 HD Annotated Anodyne CC(=O)[C@@H]1S[C@@H]2N[C@H](CN(C)CC(=O)Nc3ccc(Cl)cc3)NC(=O)[C@H]2[C@H]1C ZINC000618013446 HD Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2Cc2ccc(OC)cc2)n1 ZINC000618013644 HD Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2Cc2ccc(OC)cc2)n1 ZINC000618013645 HD Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2Cc2ccc(OC)cc2)n1 ZINC000618013646 HD Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2Cc2ccc(OC)cc2)n1 ZINC000618013647 HD Annotated Anodyne CN(C[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1)C(=O)Cc1csc(Cc2ccccn2)n1 ZINC000618014333 HD Annotated Anodyne CN(C[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1)C(=O)Cc1csc(Cc2ccccn2)n1 ZINC000618014334 HD Annotated Anodyne CN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)C(=O)Cc1csc(Cc2ccccn2)n1 ZINC000618014335 HD Annotated Anodyne CN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)C(=O)Cc1csc(Cc2ccccn2)n1 ZINC000618014336 HD Annotated Anodyne CC[C@@H]1NNC(=O)[C@H](CNS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)[C@H]1CC ZINC000618014939 HD Annotated Anodyne CC[C@@H]1NNC(=O)[C@H](CNS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)[C@@H]1CC ZINC000618014940 HD Annotated Anodyne CC[C@@H]1NNC(=O)[C@@H](CNS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)[C@@H]1CC ZINC000618014941 HD Annotated Anodyne CC[C@@H]1NNC(=O)[C@@H](CNS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)[C@H]1CC ZINC000618014942 HD Annotated Anodyne CN(C[C@@H]1NC(=O)[C@H]2SCC[C@@H]2N1)C(=O)CCSCc1cn2ccccc2n1 ZINC000618014958 HD Annotated Anodyne CN(C[C@@H]1NC(=O)[C@@H]2SCC[C@@H]2N1)C(=O)CCSCc1cn2ccccc2n1 ZINC000618014959 HD Annotated Anodyne CN(C[C@@H]1NC(=O)[C@@H]2SCC[C@H]2N1)C(=O)CCSCc1cn2ccccc2n1 ZINC000618014960 HD Annotated Anodyne CN(C[C@@H]1NC(=O)[C@H]2SCC[C@H]2N1)C(=O)CCSCc1cn2ccccc2n1 ZINC000618014961 HD Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2Cc2ccccc2F)n1 ZINC000618014966 HD Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2Cc2ccccc2F)n1 ZINC000618014967 HD Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2Cc2ccccc2F)n1 ZINC000618014968 HD Annotated Anodyne CCc1cc(CC)n([C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2Cc2ccccc2F)n1 ZINC000618014969 HD Annotated Anodyne CCCCCCN1C[C@H](S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C(=O)NC1=O ZINC000618015043 HD Annotated Bother CCCCCCN1C[C@@H](S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C(=O)NC1=O ZINC000618015048 HD Annotated Bother CNC(=O)c1ccc(NC(=O)c2cnn([C@@H]3CCC(=O)NN3)c2C(F)(F)F)cc1 ZINC000618015186 HD Annotated Anodyne CNC(=O)c1ccc(NC(=O)c2cnn([C@H]3CCC(=O)NN3)c2C(F)(F)F)cc1 ZINC000618015187 HD Annotated Anodyne CCCN(C[C@@H]1NC(=O)[C@@H]2SCC[C@H]2N1)C(=O)CCc1nc(-c2ccco2)no1 ZINC000618015455 HD Annotated Anodyne CCCN(C[C@@H]1NC(=O)[C@H]2SCC[C@H]2N1)C(=O)CCc1nc(-c2ccco2)no1 ZINC000618015456 HD Annotated Anodyne CCCN(C[C@@H]1NC(=O)[C@H]2SCC[C@@H]2N1)C(=O)CCc1nc(-c2ccco2)no1 ZINC000618015457 HD Annotated Anodyne CCCN(C[C@@H]1NC(=O)[C@@H]2SCC[C@@H]2N1)C(=O)CCc1nc(-c2ccco2)no1 ZINC000618015458 HD Annotated Anodyne CN(C[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1)C(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000618015459 HD Annotated Anodyne CN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)C(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000618015461 HD Annotated Anodyne CN(C[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1)C(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000618015462 HD Annotated Anodyne CN(C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)C(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000618015463 HD Annotated Anodyne O=C1NN[C@H](CC(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)[C@@H]2CCCC[C@H]12 ZINC000618015476 HD Annotated Anodyne O=C1NN[C@H](CC(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)[C@H]2CCCC[C@@H]12 ZINC000618015477 HD Annotated Anodyne O=C1NN[C@H](CC(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)[C@@H]2CCCC[C@@H]12 ZINC000618015478 HD Annotated Anodyne O=C1NN[C@H](CC(=O)N(Cc2ccccc2)[C@@H]2C=CS(=O)(=O)C2)[C@H]2CCCC[C@H]12 ZINC000618015479 HD Annotated Anodyne C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CN[C@H]2[C@@H](C1)C(=O)NC(=O)N2C ZINC000618015590 HD Annotated Anodyne C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CN[C@H]2[C@H](C1)C(=O)NC(=O)N2C ZINC000618015591 HD Annotated Anodyne C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CN[C@@H]2[C@H](C1)C(=O)NC(=O)N2C ZINC000618015592 HD Annotated Anodyne O=C1N[C@H](CN(Cc2ccccc2)C(=O)CN2CCCNC2=O)N[C@H]2CCCC[C@@H]12 ZINC000618015781 HD Annotated Anodyne O=C1N[C@H](CN(Cc2ccccc2)C(=O)CN2CCCNC2=O)N[C@@H]2CCCC[C@@H]12 ZINC000618015788 HD Annotated Anodyne C[C@@H]1CCCN(C(=O)[C@@H]2CN(C)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)N[C@H]23)C1 ZINC000618016310 HD Annotated Anodyne C[C@@H]1CCCN(C(=O)[C@@H]2CN(C)[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)N[C@@H]23)C1 ZINC000618016311 HD Annotated Anodyne C[C@@H]1CCCN(C(=O)[C@@H]2CN(C)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)N[C@H]32)C1 ZINC000618016312 HD Annotated Anodyne C[C@@H]1CCCN(C(=O)[C@@H]2CN(C)[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)N[C@@H]32)C1 ZINC000618016313 HD Annotated Anodyne O=C1N[C@H](N2CCC3(CC2)OCCO3)N[C@@H]2[C@@H]1SC[C@@H]2c1ccccc1Cl ZINC000618016580 HD Annotated Anodyne O=C1N[C@H](N2CCC3(CC2)OCCO3)N[C@H]2[C@H](c3ccccc3Cl)CS[C@@H]12 ZINC000618016581 HD Annotated Anodyne O=C1N[C@H](N2CCC3(CC2)OCCO3)N[C@@H]2[C@H]1SC[C@@H]2c1ccccc1Cl ZINC000618016582 HD Annotated Anodyne O=C1N[C@H](N2CCC3(CC2)OCCO3)N[C@@H]2[C@@H]1SC[C@H]2c1ccccc1Cl ZINC000618016583 HD Annotated Anodyne O=C1N[C@@H]2N[C@H](N3CCC(Cc4ccccc4)CC3)NC[C@@H]2C(=O)N1C1CCCC1 ZINC000618016598 HD Annotated Anodyne O=C1N[C@@H]2N[C@@H](N3CCC(Cc4ccccc4)CC3)NC[C@@H]2C(=O)N1C1CCCC1 ZINC000618016599 HD Annotated Anodyne O=C1N[C@@H]2N[C@H](N3CCC(Cc4ccccc4)CC3)NC[C@H]2C(=O)N1C1CCCC1 ZINC000618016600 HD Annotated Anodyne O=C1N[C@@H]2N[C@@H](N3CCC(Cc4ccccc4)CC3)NC[C@H]2C(=O)N1C1CCCC1 ZINC000618016601 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)NC(=O)N[C@@H]1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000618016664 HD Annotated Anodyne CCOC(=O)[C@H]1[C@H](SCC(=O)Nc2cccc(NC(C)=O)c2)NC(=O)N[C@@H]1C ZINC000618016665 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)NC(=O)N[C@H]1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000618016666 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C)NC(=O)N[C@@H]1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000618016667 HD Annotated Anodyne C[C@@H]1CC[C@@H](O)[C@@](O)(CNC(=O)CCC(=O)O)C[C@H](c2ccccc2)C[C@@H](O)C1 ZINC000618016837 HD Annotated Anodyne CN(C)CCSSCCNC(=O)c1ccc2nnc(NC(=O)C3CC3)n2c1 ZINC000618017085 HD Annotated Reactive C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 ZINC000618018103 HD Annotated Reactive C[C@H]1CN(S(=O)(=O)C[C@@H]2CO2)CCN1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC000618020181 HD Annotated Anodyne C[C@H]1CN(S(=O)(=O)C[C@H]2CO2)CCN1Cc1ccc(OC(F)(F)F)c(F)c1 ZINC000618020182 HD Annotated Anodyne Cc1noc(C)c1C(=O)N1CCN(c2cncc3sc(C(N)=O)c(N)c23)CC1 ZINC000621429208 HD Annotated Anodyne CN=c1nc(N2CCN(C(=O)c3cccs3)CC2)[nH]c(=NCCc2ccccc2)[nH]1 ZINC000621430470 HD Annotated Anodyne CC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)NCCCN(C)C(=O)[S@](=O)CC ZINC000621431349 HD Annotated Anodyne CC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)NCCCN(C)C(=O)[S@@](=O)CC ZINC000621431350 HD Annotated Anodyne O=[N+]([O-])c1nonc1Oc1nonc1N=Nc1nonc1Oc1nonc1[N+](=O)[O-] ZINC000621431370 HD Annotated Clean CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)C(=O)N(C)C)c(=O)n(C)c3nc12 ZINC000621431565 HD Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)C(=O)N(C)C)c(=O)n(C)c3nc12 ZINC000621431568 HD Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)c4nc[nH]n4)c(=O)n(C)c3nc12 ZINC000621431658 HD Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)c4nc[nH]n4)c(=O)n(C)c3nc12 ZINC000621431660 HD Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)C(=O)NC)c(=O)n(C)c3nc12 ZINC000621431675 HD Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)C(=O)NC)c(=O)n(C)c3nc12 ZINC000621431676 HD Annotated Anodyne COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C#N)c(C)cn23)n(C)c1=O ZINC000621431681 HD Annotated Mild COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C#N)c(C)cn23)n(C)c1=O ZINC000621431682 HD Annotated Mild CCc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4nnc(C)o4)c(=O)n(C)c3nc12 ZINC000621431854 HD Annotated Anodyne Cc1cn2c3c(=O)n(CC#N)c(=O)n(C)c3nc2n1-c1ccccc1OC(F)(F)F ZINC000621431879 HD Annotated Mild COC(=O)C1=Nc2nnnn2[C@H](c2ccc(O)c(OC)c2)[C@@H]1C(=O)c1ccccc1 ZINC000063552638 HD Annotated Anodyne COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(O)c(OC)c2)[C@@H]1C(=O)c1ccccc1 ZINC000063552640 HD Annotated Anodyne COc1cc(/C=c2\[nH]c3n(c2=O)[C@@H](c2ccc(F)cc2)CN=3)ccc1-n1cnc(C)c1 ZINC000064373122 HD Annotated Anodyne CN1C(N2CCN(Cc3ccc([N+](=O)[O-])s3)CC2)=NS(=O)(=O)c2ccccc21 ZINC000064409750 HD Annotated Bother CN1C(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)=NS(=O)(=O)c2ccccc21 ZINC000064416745 HD Annotated Bother CN1C(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)=NS(=O)(=O)c2ccccc21 ZINC000064417168 HD Annotated Bother C[C@@H](CO[C@H](C)CO[C@H](C)CO[C@H](C)CO[C@H](C)CO[C@H](C)CO)OC[C@@H](C)O ZINC000064417337 HD Annotated Anodyne CCN(C1=CC(=O)c2c(c(C)nc3c2c(=O)n(C)c(=O)n3C)C1=O)c1ccccc1 ZINC000064436414 HD Annotated Mild CCN1C(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)=NS(=O)(=O)c2ccccc21 ZINC000064446591 HD Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCC(N)=O)cc3)c(F)c2)C(=O)O1 ZINC000064446981 HD Annotated Anodyne O=C(CCCc1ccc(N(CCCl)CCCl)cc1)N/N=C/[C@@H](O)[C@H](O)CO ZINC000064447980 HD Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@@H](O)[C@H]1O ZINC000064448228 HD Annotated Reactive O[C@@H]1CO[C@H](N(O)CCCc2ccc(N(CCCl)CCCl)cc2)[C@H](O)[C@@H]1O ZINC000064448707 HD Annotated Reactive O[C@@H]1CO[C@@H](N(O)CCCc2ccc(N(CCCl)CCCl)cc2)[C@H](O)[C@@H]1O ZINC000064448709 HD Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1OC[C@@H](O)[C@@H]1O ZINC000064453760 HD Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@@H](O)[C@@H]1O ZINC000064453761 HD Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1OC[C@H](O)[C@H]1O ZINC000064453763 HD Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@H](O)[C@H]1O ZINC000064453764 HD Annotated Reactive O=c1c2ccccc2c(Cc2nnc(C(F)(F)F)o2)nn1CCN1CCOCC1 ZINC000064454514 HD Annotated Anodyne Cc1nc[nH]c1C(=O)N/N=C1\S[C@@H](CC(=O)O)C(=O)N1c1ccc(Cl)cc1 ZINC000064479893 HD Annotated Reactive Cc1nc[nH]c1C(=O)N/N=C1\S[C@H](CC(=O)O)C(=O)N1c1ccc(Cl)cc1 ZINC000064479894 HD Annotated Reactive O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1ccccc1O ZINC000064516258 HD Annotated Clean O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1ccccc1O ZINC000064516261 HD Annotated Clean CC(=O)N[C@@H]1[C@H](O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](O)[C@H]2CO[C@@H]1O2 ZINC000064528276 HD Annotated Anodyne COc1ccc(N2C(=O)[C@H](CC(=O)O)S/C2=N\NC(=O)c2[nH]cnc2C)cc1 ZINC000064531854 HD Annotated Reactive COc1ccc(N2C(=O)[C@@H](CC(=O)O)S/C2=N\NC(=O)c2[nH]cnc2C)cc1 ZINC000064531856 HD Annotated Reactive CC(C)(C)C(=O)OCO[P@@]1(=O)CO[C@@H](Cn2cnc3c(N)nc(N)nc32)CO1 ZINC000064539884 HD Annotated Anodyne CC(C)(C)C(=O)OCO[P@]1(=O)CO[C@@H](Cn2cnc3c(N)nc(N)nc32)CO1 ZINC000064539885 HD Annotated Anodyne CCOC(=O)CNC(=O)NN1CN(Cc2ccccc2)[C@H](Cc2ccccc2)C1=O ZINC000064564375 HD Annotated Anodyne CCOC(=O)CNC(=O)NN1CN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O ZINC000064564377 HD Annotated Anodyne OC[C@H]1O[C@@H](Sc2nc(S)c3c4c(sc3n2)CCCCC4)[C@@H](O)[C@@H]1O ZINC000064573994 HD Annotated Anodyne Nc1ccc2cc3ccc(N)cc3[n+](CCCC(=O)NCCN3C(=O)C=CC3=O)c2c1 ZINC000064625000 HD Annotated Bother in-vitro CN(C)CCNc1ccc(O)c2c1C(=O)c1c(O)ccc(NCCN(C)C)c1C2=O ZINC000064625047 HD Annotated Clean in-vitro O=C(Cc1cc(I)c(O)c([N+](=O)[O-])c1)ON1C(=O)CCC1=O ZINC000064633480 HD Annotated Mild in-vitro CCCN[C@@H]1COCCN1c1cc(-c2cc(OC)c(OC)c(OC)c2)nc(N)n1 ZINC000064637940 HD Annotated Anodyne Cc1ccccc1Cn1c(=O)n(-c2ccccc2)c(=O)n([C@H](C(=O)O)C(C)C)c1=O ZINC000064715135 HD Annotated Anodyne O=C(O)CN(CCN(CC(=O)O)Cc1cccc(O)c1O)Cc1ccccc1O ZINC000064746579 HD Annotated Clean Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(O)c(O)c1)C1=C(N2)c2ccccc2C1=O ZINC000006505113 HD Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(O)c(O)c1)C1=C(N2)c2ccccc2C1=O ZINC000006505114 HD Annotated Mild Cc1c(N2C[C@@H]3COC[C@]3(CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520981 HD Annotated Anodyne Cc1c(N2C[C@@H]3OCC[C@]3(CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006521022 HD Annotated Anodyne O=C(CF)NC[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000006525212 HD Annotated Anodyne N#Cc1ccc(/C=N/NC(=O)CSCC(=O)N/N=C/c2ccc(C#N)cc2)cc1 ZINC000006535178 HD Annotated Reactive O=C(Nc1ccc(C2=NCCN2)cc1)[C@@H]1C[C@H]1C(=O)Nc1ccc(C2=NCCN2)cc1 ZINC000006535482 HD Annotated Anodyne NCCCN(CCCN)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000006535871 HD Annotated Clean COCCNC(=O)COc1ccc(C)cc1C(=O)c1cc(C#N)c(=O)n(C2CC2)c1 ZINC000006566715 HD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3C(CO)=CC(=O)C3=C(C)C[C@@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12 ZINC000006654974 HD Annotated Mild in-man endogenous C=C1C(=O)O[C@H]2[C@@H]3C(CO)=CC(=O)C3=C(C)C[C@@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12 ZINC000006654979 HD Annotated Mild in-man endogenous Cc1noc(C)c1CCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006738745 HD Annotated Anodyne Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N2CCN(C)CC2)cc1 ZINC000006751846 HD Annotated Anodyne Cc1nc2c(c(C)c1CCC(=O)NCCCN1CCCCC1)c(=O)n(C)c(=O)n2C ZINC000006772869 HD Annotated Anodyne CC(C)[C@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 ZINC000006778250 HD Annotated Mild COc1ccc(-n2c(=O)c3c4c(sc3n(C)c2=O)CN(C(C)=O)CC4)cc1OC ZINC000006805073 HD Annotated Anodyne C[C@H]1COC(=O)CC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000006824627 HD Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CC1 ZINC000006839620 HD Annotated Anodyne Cn1nc(C(=O)N2CCC3(CC2)OCCO3)c2c1-c1ccccc1S(=O)(=O)C2 ZINC000006839633 HD Annotated Anodyne Cn1c(=O)c2sccc2n2c(CCCC(=O)NCCCN3CCCC3=O)nnc12 ZINC000006868342 HD Annotated Anodyne CCN(C(=O)CCS(=O)(=O)c1cc2[nH]c(=O)c(=O)[nH]c2cc1C)c1ccccc1 ZINC000006973920 HD Annotated Anodyne Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)CCC(=O)NC1CCC(C)CC1 ZINC000006973921 HD Annotated Anodyne CC(C)(O)CN1C[C@@H]2[C@H](c3cc(-c4cnc(N)nc4)nc(N4CC5CC4C5)n3)[C@@H]2C1 ZINC000653686234 HD Annotated Anodyne COc1sc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)nc1C ZINC000653687539 HD Annotated Anodyne CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)C1 ZINC000653687606 HD Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]2OC[C@@H](c3ccccc3)O[C@H]12 ZINC000653691069 HD Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]2OC[C@H](c3ccccc3)O[C@H]12 ZINC000653691070 HD Annotated Anodyne CCOC(=O)[C@H]1CCCN(CCC(=O)N2C(=O)C=C[C@]23CCCC32OCCO2)C1 ZINC000653692141 HD Annotated Anodyne CCOC(=O)[C@H]1CCCN(CCC(=O)N2C(=O)C=C[C@@]23CCCC32OCCO2)C1 ZINC000653692142 HD Annotated Anodyne CCOC(=O)[C@@H]1CCCN(CCC(=O)N2C(=O)C=C[C@@]23CCCC32OCCO2)C1 ZINC000653692143 HD Annotated Anodyne CCOC(=O)[C@@H]1CCCN(CCC(=O)N2C(=O)C=C[C@]23CCCC32OCCO2)C1 ZINC000653692144 HD Annotated Anodyne O=C(NO)[C@@H]1C[C@H](O)[C@H](c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)O1 ZINC000653697137 HD Annotated Mild CN1C(=O)C2=C(Nc3ccccc3)NN(CC3CCOCC3)[C@H]2N2C1=N[C@@H]1CCC[C@@H]12 ZINC000653697707 HD Annotated Anodyne CN1C(=O)C2=C(Nc3ccccc3)NN(CC3CCOCC3)[C@@H]2N2C1=N[C@@H]1CCC[C@@H]12 ZINC000653697708 HD Annotated Anodyne Nc1nnc(N2CC[C@H](Oc3nnc(NC(=O)Cc4ccccc4)s3)C2)s1 ZINC000653700683 HD Annotated Anodyne COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CCNC(C)=O)nn3)ccc2O)c1 ZINC000653700731 HD Annotated Anodyne Nc1nnc(N2CC[C@@H](Oc3nnc(NC(=O)Cc4ccccc4)s3)C2)s1 ZINC000653702248 HD Annotated Anodyne O=C1c2cc3c(cc2-c2c1c1cc(F)c(F)cc1c(=O)n2C[C@H](O)CO)OCO3 ZINC000653705984 HD Annotated Clean O=C(O)CCNc1nc(N2CCN(c3ccc(F)cc3)CC2)cc(-n2ccnn2)n1 ZINC000653709721 HD Annotated Anodyne O=C(NO)[C@@H](CO)OCc1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1 ZINC000653712801 HD Annotated Mild O=C(NO)[C@H](CO)OCc1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1 ZINC000653712802 HD Annotated Mild N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCN3CCOCC3)c2nc1C#N ZINC000653713032 HD Annotated Mild Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CCNCC1)C(=O)c1ccccc1C3=O ZINC000653717896 HD Annotated Clean COc1ccc2cc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c3nnnn3c2c1 ZINC000653721434 HD Annotated Clean COC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(S(=O)(=O)c2ccn(C)n2)CC1 ZINC000653722935 HD Annotated Anodyne CON1CCN=C1Nc1ccc(NC(O)=C2C=CC(=NC3=[N+](OC)CCN3)C=C2)cc1 ZINC000653728083 HD Annotated Mild O=C(N[C@H]1CS(=O)(=O)c2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 ZINC000653739141 HD Annotated Anodyne CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4cc(-c5ccccc5)c(Br)n4[C@@H]3C[C@]21O ZINC000653739296 HD Annotated Anodyne CC(=O)CCO[C@@]12C[C@@H]3[C@@H](NC(=O)c4ccc(Br)n43)[C@@H]1NC(=O)N2C ZINC000653745155 HD Annotated Anodyne Cc1ncc(Cn2cc(CSc3nnc(-c4sc(N)nc4C)o3)nn2)c(N)n1 ZINC000653746423 HD Annotated Anodyne C#CCCCO[C@@]12C[C@@H]3[C@@H](NC(=O)c4ccc(Br)n43)[C@@H]1NC(=O)N2C ZINC000653746618 HD Annotated Mild Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4C[C@@H]3CC4(F)F)n2)cn1 ZINC000653748772 HD Annotated Anodyne CCS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000653755602 HD Annotated Anodyne O=C1N(Cc2ccccc2)c2ccc(Br)cc2[C@@]1(O)Cc1nn[nH]n1 ZINC000653758617 HD Annotated Anodyne O=C1N(Cc2ccccc2)c2ccc(Br)cc2[C@]1(O)Cc1nn[nH]n1 ZINC000653758618 HD Annotated Anodyne CN1CC2(CCN(c3nc(-c4cnc(N)nc4)cc(N4C[C@@H]5C[C@H]4CO5)n3)CC2)C1 ZINC000653760115 HD Annotated Anodyne Nc1ncc(-c2cc(C3[C@H]4CC[C@H]3CN(C3COC3)C4)nc(N3CC4CC3C4)n2)cn1 ZINC000653760512 HD Annotated Anodyne CS(=O)(=O)Nc1n[nH]c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000653760581 HD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@]4(C3)CC4(F)F)n2)cn1 ZINC000653762360 HD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@]4(C3)CC4(F)F)n2)cn1 ZINC000653762361 HD Annotated Anodyne NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Cl)nc2)[C@@H]2C=C[C@H]1C21CC1 ZINC000653768323 HD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4CC[C@H](C3)N4C3COC3)nc(N3CC4CC3C4)n2)cn1 ZINC000653768944 HD Annotated Anodyne O=C(O)C[C@H](NC(=O)Cn1cc(CCCNc2ccccn2)nn1)c1ccc(O)cc1 ZINC000653778078 HD Annotated Anodyne CCC(=O)N(O)C[C@H]1CN(c2ccc(N3CCN(C(C)=O)CC3)c(F)c2)C(=O)O1 ZINC000653779657 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc[nH]2)N[C@H](c2ccc[nH]2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653779689 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc[nH]2)N[C@H](c2ccc[nH]2)[C@H](C(=O)OCC)S1(=O)=O ZINC000653779690 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc[nH]2)N[C@@H](c2ccc[nH]2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653779691 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc[nH]2)N[C@@H](c2ccc[nH]2)[C@H](C(=O)OCC)S1(=O)=O ZINC000653779692 HD Annotated Anodyne CCCCn1cnc2c(NCCCCCC(=O)NO)nc(N3CCOCC3)nc21 ZINC000653782508 HD Annotated Bother C[C@H](NC(=O)c1n[nH]c2cc(NC(=O)c3ccc4ncccc4c3)ccc12)C(N)=O ZINC000653784890 HD Annotated Anodyne C[C@]1(COc2ccc(S(=O)(=O)N3CCCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653786080 HD Annotated Bother C[C@]1(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653787724 HD Annotated Bother COc1ccc(Cn2cc(C(=O)NCCc3cnc[nH]3)nn2)cc1Br ZINC000653790951 HD Annotated Anodyne N=c1nc(-c2ccccn2)[nH]n1-c1ncnc2cc(N3CCNCC3)c([N+](=O)[O-])cc12 ZINC000653792931 HD Annotated Bother O=C1CSCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1F ZINC000653793651 HD Annotated Bother COc1cccc(Nc2c3c(nc4c(C)c(S(C)(=O)=O)nn24)CCNC3=O)c1 ZINC000653793974 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N[C@H](c2ccco2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653795666 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N[C@H](c2ccco2)[C@H](C(=O)OCC)S1(=O)=O ZINC000653795667 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)[C@@H](C(=O)OCC)S1(=O)=O ZINC000653795668 HD Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccco2)N[C@@H](c2ccco2)[C@H](C(=O)OCC)S1(=O)=O ZINC000653795669 HD Annotated Anodyne O=C(NCCc1cnc[nH]1)c1cn(CCc2ccc(O)c(Br)c2)nn1 ZINC000653798391 HD Annotated Anodyne COc1ccc(CCn2cc(C(=O)NCCc3cnc[nH]3)nn2)cc1Br ZINC000653798393 HD Annotated Anodyne CCOC(=O)CN(C)S(=O)(=O)c1ccc(N/N=C/c2ccc(O)c(O)c2)nc1 ZINC000653799457 HD Annotated Mild COC1=C(OC)C(=O)[C@@]2(C)[C@H](C1)C[C@H]1OC(=O)C[C@@]3(O)C(C)=C(OC)C(=O)[C@H]2[C@@]13C ZINC000653805864 HD Annotated Mild CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3cncnn3)C2)s1)c1ccccc1 ZINC000653812726 HD Annotated Anodyne CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3nccnn3)C2)s1)c1ccccc1 ZINC000653817033 HD Annotated Anodyne CN(C)C(=O)c1ccc(-c2cc(C3=C(N4CC4)C(=O)C=C(N4CC4)C3=O)no2)s1 ZINC000653823197 HD Annotated Mild O=C(NO)[C@@H]1CN(c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)C(=O)O1 ZINC000653825416 HD Annotated Mild O=C(NO)[C@H]1CN(c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)C(=O)O1 ZINC000653825417 HD Annotated Mild O=C(NO)[C@@H]1CN(c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)C(=O)N1 ZINC000653825426 HD Annotated Mild O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC[C@H](O)C1 ZINC000653842822 HD Annotated Anodyne Cc1ccc(NC2=c3cc(F)ccc3=NC2=O)cc1NC1=c2cc(F)ccc2=NC1=O ZINC000653861031 HD Annotated Anodyne C#Cc1nc(NCCN2CCOCC2)c2nc(C)n(-c3ccc(OC)c(OC)c3)c2n1 ZINC000653872506 HD Annotated Mild COc1ccc(-n2c(C)nc3c(NCCN4CCOCC4)nc(N)nc32)cc1OC ZINC000653878485 HD Annotated Anodyne CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1ccc(F)c[n+]1[O-] ZINC000653882842 HD Annotated Anodyne C=C[C@@]12COC(=O)C(=C)[C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)COC(C)=O)C2 ZINC000653882864 HD Annotated Mild CCCC/N=C(/NC#N)N1C[C@H](N(CC)C(=O)CO)C(c2ccc(Cl)cc2)=N1 ZINC000653885939 HD Annotated Mild CCCC/N=C(/NC#N)N1C[C@@H](N(CC)C(=O)CO)C(c2ccc(Cl)cc2)=N1 ZINC000653885940 HD Annotated Mild CCN(C(=O)CO)[C@H]1CN(/C(=N/CCC2CC2)NC#N)N=C1c1ccc(Cl)cc1 ZINC000653886005 HD Annotated Mild CCN(C(=O)CO)[C@@H]1CN(/C(=N/CCC2CC2)NC#N)N=C1c1ccc(Cl)cc1 ZINC000653886006 HD Annotated Mild C#CCNc1ccnc(N2C[C@H]3C[C@@H]2CN3/C=C/C(=O)c2cccc(OC)c2O)n1 ZINC000653887839 HD Annotated Mild COc1ccc(-n2c(C)nc3c(NCCN4CCOCC4)nc(C#N)nc32)cc1OC ZINC000653905742 HD Annotated Mild Cc1ccc2c(c1)=C(Nc1ccc(C)c(NC3=c4cc(C)ccc4=NC3=O)c1)C(=O)N=2 ZINC000653909240 HD Annotated Anodyne COc1ccc2c(c1)cc(/C=C1\SC(=S)N(CC(=O)O)C1=O)c1nnnn12 ZINC000653917173 HD Annotated Clean COc1ccc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c3nnnn3c2c1 ZINC000653918429 HD Annotated Clean COC(=O)CN/C=C1\C(=O)CC[C@]2(C)C1=C(O)C(=O)c1cc3c(cc12)C(=O)C=CC3=O ZINC000066066022 HD Annotated Mild COc1c(C)c2c(c(O)c1CCO[P@](=O)(O)CCP(=O)(O)O)C(=O)OC2 ZINC000066074875 HD Annotated Anodyne Cc1nc(N2C[C@H](N)[C@@H](N3CC(F)(F)CCC3=O)C2)cc(N2CCC(F)(F)C2)n1 ZINC000066074888 HD Annotated Anodyne CO/N=C1\C[C@@H](N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C1 ZINC000066075512 HD Annotated Mild CO/N=C1\C[C@H](N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C1 ZINC000066075514 HD Annotated Mild CCO/N=C1\C[C@H](N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C1 ZINC000066075515 HD Annotated Mild CCO/N=C1\C[C@@H](N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C1 ZINC000066075519 HD Annotated Mild CS(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2OC2CCCC2)CC1 ZINC000066077392 HD Annotated Anodyne C[C@@H](O)[C@@H](NC(=O)N1CCN(c2ccc(C#Cc3ccccc3)cc2)CC1)C(=O)NO ZINC000066098689 HD Annotated Mild C[C@@H](N)[C@@H](NC(=O)N1CCN(c2ccc(C#Cc3ccccc3)cc2)CC1)C(=O)NO ZINC000066099284 HD Annotated Mild CC(=O)N(C)c1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 ZINC000066099590 HD Annotated Anodyne C/C(=N\n1c(N)cc(N)c(C#N)c1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000066099805 HD Annotated Mild C/C(=N\n1c(O)cc(N)c(C#N)c1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000066099806 HD Annotated Mild Cc1ccc2c(c1)/C(=N/NC(=S)NO)C(=O)N2CN1CCN(c2ccccc2)CC1 ZINC000066100643 HD Annotated Mild Cn1cc(-c2cnn3c(N)c(I)c([C@@H]4CCCNC4)nc23)cn1 ZINC000066104772 HD Annotated Anodyne Cn1cc(-c2cnn3c(N)c(I)c([C@H]4CCCNC4)nc23)cn1 ZINC000066104774 HD Annotated Anodyne CS(=O)(=O)c1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1 ZINC000066112281 HD Annotated Anodyne CO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N5CCC5)nc(N)nc43)[C@](C)(F)[C@@H]2O1 ZINC000066157234 HD Annotated Anodyne CO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N5CCC5)nc(N)nc43)[C@](C)(F)[C@@H]2O1 ZINC000066157237 HD Annotated Anodyne CO[C@@H](C(=O)NCCOc1c(C)cc(C)cc1C)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C ZINC000066165977 HD Annotated Anodyne CCS(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1 ZINC000066251302 HD Annotated Anodyne O=c1[nH]c(=O)c2cn(CCCCCCCCn3cc4[nH]c(=O)[nH]c(=O)c4c3)cc2[nH]1 ZINC000066252594 HD Annotated Anodyne CN(C)S(=O)(=O)N[C@@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1 ZINC000066258443 HD Annotated Anodyne CC(=O)Nc1cc2c3c(c1)n(C/C=C/Cn1cc(C)c(=O)[nH]c1=O)c(=O)n3CCC2 ZINC000066262788 HD Annotated Anodyne CNCCC[N+](C)(C)CCCNCCCCNCCC[N+](C)(C)CCCNC ZINC000067899098 HD Annotated Bother COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(C#N)s3)C2)nc(C)c1F ZINC000068153020 HD Annotated Anodyne in-vitro COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(Cl)s3)C2)nc(C)c1F ZINC000068153023 HD Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C)c1F ZINC000068153033 HD Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3)C2)nc(C)c1F ZINC000068153036 HD Annotated Anodyne Cc1nsc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@H]1[C@H](C)O[C@H](C)CN31 ZINC000068203043 HD Annotated Anodyne C[C@@H]1O[C@H](C)CN2c3c(cc4c(Cl)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 ZINC000068203055 HD Annotated Anodyne Cc1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(N)nccc4c3)C2=O)cc1 ZINC000068208974 HD Annotated Anodyne Cc1ccc(N2CCO[C@H]([C@H](O)C(=O)Nc3ccc4c(N)nccc4c3)C2=O)cc1 ZINC000068208988 HD Annotated Anodyne Cc1ccc(N2CCO[C@@H]([C@H](O)C(=O)Nc3ccc4c(N)nccc4c3)C2=O)cc1 ZINC000068208991 HD Annotated Anodyne Cc1ccc(N2CCO[C@@H]([C@@H](O)C(=O)Nc3ccc4c(N)nccc4c3)C2=O)cc1 ZINC000068208994 HD Annotated Anodyne CN(C)CCn1c(CC(C)(C)C)nc2cc(S(=O)(=O)C3CN(C(N)=O)C3)ccc21 ZINC000068244518 HD Annotated Anodyne Cn1cnc2cc(-c3ccc(NCCN4CCOCC4)nc3)nc(NC3CC3)c2c1=O ZINC000068248604 HD Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N(C)Cc1ccccc1 ZINC000007006126 HD Annotated Anodyne O=C(CSc1nnc(Nc2ccccc2F)s1)N[C@@H]1CCS(=O)(=O)C1 ZINC000007141380 HD Annotated Anodyne O=C(CSc1nnc(Nc2ccccc2F)s1)N[C@H]1CCS(=O)(=O)C1 ZINC000007141381 HD Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000070454197 HD Annotated Mild in-vitro biogenic COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@H](O)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000070454200 HD Annotated Mild in-vitro biogenic CON1C(=O)[C@]2(c3ccccc31)[C@@H]1C[C@H]3[C@@H](CO1)[C@H]1[C@@H]2[C@]3([C@H](C)OC(C)=O)CN1C ZINC000070454764 HD Annotated Anodyne in-vitro biogenic CC[C@H]1[C@@H]2[C@@H]3CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N3CCC[C@H]2O[C@@]12OC(=O)[C@H](C)[C@H]2O ZINC000070454852 HD Annotated Anodyne in-vitro biogenic CC(C)[C@]1(O)[C@H](Cl)[C@H](C)[C@@]2(O)[C@@]3(C)CCC4=C(COC4=O)[C@@H]3C[C@@H]3O[C@@]32[C@@H]1O ZINC000070455289 HD Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1[C@@H](O)[C@H]2[C@@]3(C)[C@H](C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]42C)OC(=O)C[C@H]3[C@H]1C ZINC000070457492 HD Annotated Anodyne in-vitro biogenic C[C@@H]1C/C(=C2/NC(N)=NC2=O)c2c([nH]c(Br)c2Br)C(=O)N1 ZINC000070460168 HD Annotated Anodyne C[C@H]1C/C(=C2/NC(N)=NC2=O)c2c([nH]c(Br)c2Br)C(=O)N1 ZINC000070460170 HD Annotated Anodyne NS(=O)(=O)c1ccc(N/N=C2\CCNC(=O)c3[nH]c4ccc(Cl)cc4c32)nc1 ZINC000070460242 HD Annotated Mild COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@]1(C)O)C(=O)c1c(O)ccc(O)c1C3=O ZINC000070647092 HD Annotated Clean in-vitro CO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC[C@@]1(C)N ZINC000071294186 HD Annotated Mild CO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC[C@]1(C)N ZINC000071294187 HD Annotated Mild Cc1cnc2c(c1)S(=O)(=O)N(Cc1cc(F)c(F)cc1F)CN2CC(=O)O ZINC000071316137 HD Annotated Anodyne CN(C)S(=O)(=O)c1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O ZINC000071316436 HD Annotated Clean Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](Cn5nccn5)OC4=O)cc3F)cn2)n1 ZINC000071317088 HD Annotated Anodyne O=C(O)[C@@H]1CSc2c(C3CC3)c(CNS(=O)(=O)c3ccccc3)cc(=O)n21 ZINC000071318174 HD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](OC(C)=O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1C[C@H]3O ZINC000071318844 HD Annotated Mild O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@H]2c2ccc3c(c2)OCCO3)c2ccccc21 ZINC000071318846 HD Annotated Mild O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc21 ZINC000071318847 HD Annotated Mild O=C(N[C@H](c1ccccn1)C(F)(F)F)c1nc(N2CCOCC2)c2cnccn12 ZINC000071319284 HD Annotated Anodyne COc1nc2c(c(OC)n1)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 ZINC000071329061 HD Annotated Anodyne COc1nc2c(c(OC)n1)[C@H](c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2 ZINC000071329062 HD Annotated Anodyne O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1nc(N2CCOCC2)c2cnccn12 ZINC000071329990 HD Annotated Anodyne O=C(N[C@H](c1cccnc1)C(F)(F)F)c1nc(N2CCOCC2)c2cnccn12 ZINC000071329991 HD Annotated Anodyne O=C(O)CN1CN(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2cc(Cl)cnc21 ZINC000071330168 HD Annotated Bother COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccc(F)cc32)cc1 ZINC000071331524 HD Annotated Reactive O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Cl)cc21)c1ccc(O)cc1 ZINC000071340790 HD Annotated Reactive COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1C[C@@H](OC)[C@H](NS(C)(=O)=O)C3 ZINC000071340976 HD Annotated Anodyne CC(C)NC(=S)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071341293 HD Annotated Anodyne CN(C)CCc1cn(CCCCOS(C)(=O)=O)c2c1C(=O)c1ccncc1C2=O ZINC000071341513 HD Annotated Mild O=C(NCCN1CCCc2ccccc21)c1noc2ncnc(N3CCOCC3)c12 ZINC000071928053 HD Annotated Anodyne COc1ccc(-c2cc(C(=O)N3CCCC3)no2)cc1S(=O)(=O)N1CCOCC1 ZINC000071928152 HD Annotated Anodyne CCOC(=O)c1c(CN2CCOCC2)oc2cc(OC)c(OS(=O)(=O)O)cc12 ZINC000072106843 HD Annotated Anodyne C=C1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@H](OC(C)=O)[C@]52[C@@H]3CC[C@@H]14 ZINC000072108443 HD Annotated Mild COc1ccc(/C=C(NC=O)/C(=C/c2ccc(OS(=O)(=O)O)cc2)NC=O)cc1 ZINC000072110331 HD Annotated Anodyne CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@@H](NC(=O)Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000072115060 HD Annotated Anodyne C/N=C1\Nc2cc(-c3cccc(CCNS(N)(=O)=O)c3)sc2N2[C@@H](C)C=N[C@@H]12 ZINC000072116600 HD Annotated Mild Cc1ncc([N+](=O)[O-])n1CC(=O)NS(=O)(=O)c1ccc(Br)cc1 ZINC000072116812 HD Annotated Bother O=C(CCOc1nonc1S(=O)(=O)c1ccccc1)Oc1ccccc1C(=O)O ZINC000072118465 HD Annotated Anodyne O=C(c1ccco1)N1CCN([C@@H]2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1 ZINC000072121299 HD Annotated Anodyne O=C(c1ccco1)N1CCN([C@H]2CN(Cc3ccc(F)cc3)S(=O)(=O)C2)CC1 ZINC000072121300 HD Annotated Anodyne COC(=O)[C@@H]1C[C@]23C(=NN=C(SC)[C@@H]2N(C)c2ccc(OC)cc23)N1C(C)=O ZINC000072121395 HD Annotated Clean COC(=O)[C@H]1C[C@]23C(=NN=C(SC)[C@@H]2N(C)c2ccc(OC)cc23)N1C(C)=O ZINC000072121396 HD Annotated Clean C#CCN1C(=O)CC[C@]23C1=NC(C(=O)OC)=C(C(=O)OC)[C@@H]2N(C)c1ccccc13 ZINC000072135859 HD Annotated Anodyne Cc1ccc(CN2C[C@H](N3CCN(C(=O)c4ccco4)CC3)CS2(=O)=O)cc1 ZINC000072135866 HD Annotated Anodyne Cc1ccc(CN2C[C@@H](N3CCN(C(=O)c4ccco4)CC3)CS2(=O)=O)cc1 ZINC000072135867 HD Annotated Anodyne COC(=O)c1cccc(N2C[C@]23C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)c1 ZINC000072142883 HD Annotated Mild NC(=O)c1cccc(CCN2COc3cc4c(cc3C2=O)O[C@@H]2CCCN2C4=O)c1 ZINC000072174398 HD Annotated Anodyne NC(=O)c1cccc(CCN2COc3cc4c(cc3C2=O)O[C@H]2CCCN2C4=O)c1 ZINC000072174399 HD Annotated Anodyne CN(C)CCn1c(=O)/c(=C/c2ccc(O)cc2)s/c1=C1/C(=O)Nc2ccccc21 ZINC000072176246 HD Annotated Anodyne O=C1CC[C@@H](N2Cc3ccccc3C2=O)C(=O)N1CN1C(=O)c2ccccc2C1=O ZINC000072177024 HD Annotated Anodyne O=C1CC[C@H](N2Cc3ccccc3C2=O)C(=O)N1CN1C(=O)c2ccccc2C1=O ZINC000072177025 HD Annotated Anodyne COC(=O)/C=C1/C(=O)NC(=S)N1/N=C/c1c[nH]nc1-c1ccc(SC)cc1 ZINC000072179559 HD Annotated Mild NC(=O)[C@@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000072180033 HD Annotated Bother NC(=O)[C@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000072180034 HD Annotated Bother CCOC(=O)c1cnn(-c2nc(-c3ccc(N(C)C)cc3)c(C#N)c(=O)n2C)c1N ZINC000072183861 HD Annotated Mild CCOC(=O)c1cnn(-c2nc(-c3cccc(OC)c3OC)c(C#N)c(=O)n2C)c1N ZINC000072184050 HD Annotated Mild CS(=O)(=O)n1cc2c(n1)CN([C@H]1CS[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000072317936 HD Annotated Anodyne CN1CCN(c2ccc(-c3ncc4c(n3)N(CCCN3CCOCC3)CC4)cc2)CC1 ZINC000072318821 HD Annotated Anodyne COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(C)nn2c1/C=N\N=C(N)N ZINC000073129288 HD Annotated Mild CN(C)c1ccc([C@H]2SCC(=O)N2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000073138442 HD Annotated Clean CN(C)c1ccc([C@@H]2SCC(=O)N2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000073138444 HD Annotated Clean O=C(N/N=C/N1C=c2cnoc2=CC1)c1cnc2c(C(F)(F)F)cccc2c1O ZINC000073138942 HD Annotated Reactive CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4cncc(N5CCOC5=O)c4)cc3OC[C@@H]12 ZINC000073142409 HD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(N5CCOC5=O)cn4)cc3OC[C@@H]12 ZINC000073142411 HD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-c5nnn(C)n5)nc4)cc3OC[C@@H]12 ZINC000073157731 HD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-c5nnnn5C)nc4)cc3OC[C@@H]12 ZINC000073159072 HD Annotated Anodyne COc1ncc(-c2ccc3c(c2)OC[C@H]2[C@H](CNC(C)=O)OC(=O)N32)c(OC)n1 ZINC000073161682 HD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(N5CCOC5=O)nc4)cc3OC[C@@H]12 ZINC000073164370 HD Annotated Anodyne CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2cc(OC)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000073168299 HD Annotated Clean CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(N5CCNCC5)nc4)cc3OC[C@@H]12 ZINC000073169067 HD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C(=O)N(C)C)nc4)cc3OC[C@@H]12 ZINC000073169069 HD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-n5cncn5)nc4)cc3OC[C@@H]12 ZINC000073169071 HD Annotated Anodyne O=C(/N=C/c1ccc(O)cc1)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCOCC1 ZINC000073169075 HD Annotated Mild CCCOCCn1c(=O)nc(NCCO)c2nnc(-c3ccc(OC)nc3)cc21 ZINC000073196268 HD Annotated Anodyne CCn1c(SCCOC)nc(NC(C)=O)c(N(CCOC)CCOC)c1=O ZINC000073196380 HD Annotated Anodyne CCOc1nc(SCCOC)nc(NC(C)=O)c1N(CCOC)CCOC ZINC000073196381 HD Annotated Anodyne COc1ccc([S@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)cc1OC ZINC000073196716 HD Annotated Anodyne COc1ccc([S@@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)cc1OC ZINC000073196717 HD Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C2 ZINC000073197050 HD Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2 ZINC000073197051 HD Annotated Bother CCOC(=O)CCNC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c(-c4ccccc4)cc32)N1 ZINC000073198474 HD Annotated Anodyne C[C@]1(CN)CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3n2)C/C1=N\OCF ZINC000073198854 HD Annotated Mild C[C@@]1(CN)CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3n2)C/C1=N\OCF ZINC000073198855 HD Annotated Mild O=C(O)[C@H]1NCCN(C(=O)c2ccc3cc(Br)ccc3c2)[C@H]1C(=O)O ZINC000073199157 HD Annotated Anodyne Nc1nc(N2CCN(C(=O)Cc3ccccc3)CC2)nc2nc(-c3ccco3)nn12 ZINC000073199264 HD Annotated Anodyne C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(N)=O)cn1c23 ZINC000073224562 HD Annotated Anodyne O=C(CCC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4)NCCO ZINC000073240272 HD Annotated Anodyne CCOC(=O)c1cn(Cc2cn(CC(=O)OC)nn2)c2cc(Cl)c(F)cc2c1=O ZINC000073310702 HD Annotated Anodyne CN(/N=C/c1cnn2ccc(C#N)cc12)S(=O)(=O)c1cc([N+](=O)[O-])ccc1F ZINC000073386550 HD Annotated Mild CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)NC(=O)N[C@@H]1C ZINC000007986442 HD Annotated Anodyne CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)NC(=O)N[C@H]1C ZINC000007986443 HD Annotated Anodyne CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)NC(=O)N[C@@H]1C ZINC000007986444 HD Annotated Anodyne CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)NC(=O)N[C@H]1C ZINC000007986445 HD Annotated Anodyne C[C@@H](NC(=O)Nc1nnc(C(F)(F)F)s1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000007991260 HD Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C ZINC000007998222 HD Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000007998225 HD Annotated Anodyne CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000007998563 HD Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3CC[C@@H]12 ZINC000007998568 HD Annotated Mild C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000007998637 HD Annotated Mild CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000007998642 HD Annotated Reactive C/C=C(/C=C(C)/C=C/C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC ZINC000077256938 HD Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C\C[C@@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)[C@@H](CO)O1 ZINC000008035657 HD Annotated Mild C#CCCCO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000008035782 HD Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](O)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000008221345 HD Annotated Mild in-vitro COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000008221348 HD Annotated Mild in-vitro CCN(c1ccc(-c2csc(CC(=O)N3CCOCC3)n2)cc1)S(C)(=O)=O ZINC000008297926 HD Annotated Anodyne Cc1cccc(C)c1NC(=O)CNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000008312431 HD Annotated Anodyne Cc1cccc(C)c1NC(=O)CNC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000008312434 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@]23C=C[C@H](O2)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 ZINC000008404084 HD Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(CCOCCO)CC4)[C@H]3C[C@H]12 ZINC000082051502 HD Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(CCOCCO)CC4)[C@H]3C[C@H]12 ZINC000082051506 HD Annotated Mild CC(=O)Oc1ccc(O[C@@H]2OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000082051804 HD Annotated Anodyne CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082051867 HD Annotated Bother CC(C)C[C@@H](C(=O)NCC#N)n1cnc2c(NCCCN3CCOCC3)ncnc21 ZINC000082061665 HD Annotated Mild CC(C)C[C@H](C(=O)NCC#N)n1cnc2c(NCCCN3CCOCC3)ncnc21 ZINC000082061667 HD Annotated Mild CCO[C@@H]1O[C@@H](CS(=O)(=O)Cc2ccccc2OC(F)F)C(=O)N[C@H]1CC ZINC000082064896 HD Annotated Anodyne CCO[C@H]1O[C@@H](CS(=O)(=O)Cc2ccccc2OC(F)F)C(=O)N[C@H]1CC ZINC000082064897 HD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H](C(=O)OCCOCCN3CCNCC3)C2)cs1 ZINC000082069526 HD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H](C(=O)OCCOCCN3CCNCC3)C2)cs1 ZINC000082069527 HD Annotated Anodyne CCc1nc(C(=O)NCc2ccc(C(=O)OCCN(CCN)CCO)cc2)cs1 ZINC000082069749 HD Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCc2ccco2)cs1 ZINC000082071031 HD Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NCc2ccco2)cs1 ZINC000082071032 HD Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCN ZINC000082071067 HD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCN ZINC000082071068 HD Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)OCCN ZINC000082071098 HD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(=O)OCCN ZINC000082071099 HD Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)OCCN ZINC000082071118 HD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(=O)OCCN ZINC000082071119 HD Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CSCNC(C)=O)C(N)=O)cs1 ZINC000082071163 HD Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CSCNC(C)=O)C(N)=O)cs1 ZINC000082071164 HD Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCC(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000082072042 HD Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCC(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000082072044 HD Annotated Anodyne CN1CCN(CCCNC(=O)CN(C)C(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000082073834 HD Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)NCCCN3CCN(C)CC3)co2)cc1 ZINC000082073888 HD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)NCCCN2CCN(C)CC2)co1 ZINC000082073911 HD Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCNCC1 ZINC000082082287 HD Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCNCC1 ZINC000082082288 HD Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCCNCC1 ZINC000082082291 HD Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)N1CCCNCC1 ZINC000082082294 HD Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCN(C)C ZINC000082082514 HD Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCN(C)C ZINC000082082515 HD Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCCN1CCN(C)CC1 ZINC000082083433 HD Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCCN1CCN(C)CC1 ZINC000082083434 HD Annotated Anodyne C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCCNCC1 ZINC000082083483 HD Annotated Bother C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCCNCC1 ZINC000082083485 HD Annotated Bother N#Cc1ccc(-c2ccc3c(n2)C(=O)N(C/C(O)=N/CCN2CCOCC2)C3)cc1 ZINC000082083490 HD Annotated Mild Cc1cc(Nc2ccc3c(n2)C(=O)N(C/C(O)=N/CCCn2ccnc2)C3)n(C)n1 ZINC000082083674 HD Annotated Mild C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCOCCN(C)C ZINC000082083706 HD Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCOCCN(C)C ZINC000082083711 HD Annotated Anodyne Cn1nccc1-c1ccc2c(n1)C(=O)N(C1(/C(O)=N/CCN3CCOCC3)CC1)C2 ZINC000082083974 HD Annotated Mild CC(=O)NCSC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)O ZINC000082084079 HD Annotated Bother CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)O ZINC000082084081 HD Annotated Bother CC(=O)NCSC[C@@H](CO)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084082 HD Annotated Bother CC(=O)NCSC[C@H](CO)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084084 HD Annotated Bother CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)O ZINC000082084102 HD Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)O ZINC000082084159 HD Annotated Bother CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)O ZINC000082084160 HD Annotated Bother CC(=O)NCSC[C@@H](CO)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084161 HD Annotated Bother CC(=O)NCSC[C@H](CO)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084162 HD Annotated Bother CC(=O)NCSC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(N)=O ZINC000082084202 HD Annotated Bother CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(N)=O ZINC000082084203 HD Annotated Bother CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(N)=O ZINC000082084228 HD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(N)=O ZINC000082084229 HD Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(N)=O ZINC000082084274 HD Annotated Bother CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(N)=O ZINC000082084275 HD Annotated Bother CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(N)=O ZINC000082084287 HD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(N)=O ZINC000082084288 HD Annotated Anodyne COC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084345 HD Annotated Anodyne COC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084346 HD Annotated Anodyne O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N[C@@H]1CCCCNC1=O ZINC000082084752 HD Annotated Bother O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N[C@H]1CCCCNC1=O ZINC000082084753 HD Annotated Bother O=C(CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCCCNC1=O ZINC000082084775 HD Annotated Anodyne O=C(CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)N[C@H]1CCCCNC1=O ZINC000082084776 HD Annotated Anodyne O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)N[C@@H]1CCCCNC1=O ZINC000082084811 HD Annotated Bother O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)N[C@H]1CCCCNC1=O ZINC000082084812 HD Annotated Bother CN(C)CCOCCOC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084923 HD Annotated Bother CCCCOC(=O)COC(=O)CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084939 HD Annotated Anodyne CN(C)CCOCCOC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084971 HD Annotated Bother O=C1NCCCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085184 HD Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085185 HD Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085186 HD Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085187 HD Annotated Anodyne CN(C)CCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085456 HD Annotated Anodyne CN(C)CCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085457 HD Annotated Anodyne CN(CC(=O)N1CCCNCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085697 HD Annotated Bother CN1CCN(CCCNC(=O)CN(C)C(=O)c2coc(-c3cccs3)n2)CC1 ZINC000082085732 HD Annotated Anodyne CN(CC(=O)N1CCCNCC1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085741 HD Annotated Bother CN(C)CCOCCOC(=O)CN(C)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085778 HD Annotated Anodyne O=C(OCCOCCN1CCNCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082086298 HD Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)OCCOCCN3CCNCC3)cs2)c1 ZINC000082086325 HD Annotated Anodyne O=C(OCCOCCN1CCNCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082086347 HD Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)N3CCNCC3)cs2)c1 ZINC000082086467 HD Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)N3CCCNCC3)cs2)c1 ZINC000082086691 HD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)O ZINC000082089307 HD Annotated Anodyne COCC(=O)NCCCCNc1nc(NC[C@H](C)O)c2cc(OC)c(OC)cc2n1 ZINC000082118558 HD Annotated Anodyne COCC(=O)NCCCCNc1nc(NC[C@@H](C)O)c2cc(OC)c(OC)cc2n1 ZINC000082118559 HD Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)C(N)=O)nc2cc(OC)c(OC)cc12 ZINC000082119522 HD Annotated Anodyne COCC(=O)NCCCNc1nc(NC[C@H](C)O)c2cc(OC)c(OC)cc2n1 ZINC000082119856 HD Annotated Anodyne COCC(=O)NCCCNc1nc(NC[C@@H](C)O)c2cc(OC)c(OC)cc2n1 ZINC000082119857 HD Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2CCOCC2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134996 HD Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135390 HD Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135391 HD Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135637 HD Annotated Bother CCN(C)c1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135794 HD Annotated Bother CC(=O)NCCNC(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136003 HD Annotated Bother CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136076 HD Annotated Bother CCN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136081 HD Annotated Bother CCN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136083 HD Annotated Bother COCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc(F)cc1 ZINC000082136357 HD Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc(F)cc3)n2)C1 ZINC000082139341 HD Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc(F)cc3)n2)C1 ZINC000082139342 HD Annotated Anodyne COCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc(F)cc1 ZINC000082141450 HD Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccco3)n2)CC1 ZINC000082142277 HD Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082142283 HD Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082142285 HD Annotated Mild Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N2CCOCC2)c1 ZINC000082145447 HD Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)N2CCOCC2)c1 ZINC000082145449 HD Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148821 HD Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148924 HD Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148928 HD Annotated Bother CN([C@@H]1COc2nc([N+](=O)[O-])cn2C1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000082149342 HD Annotated Bother CC(=O)N1CCN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149656 HD Annotated Bother CCOC(=O)[C@@H]1CCCN(Cc2cn(C[C@H](O)COC(=O)C3CCCCC3)nn2)C1 ZINC000082149724 HD Annotated Anodyne CCOC(=O)[C@H]1CCCN(Cc2cn(C[C@H](O)COC(=O)C3CCCCC3)nn2)C1 ZINC000082149726 HD Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150170 HD Annotated Bother CCN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150172 HD Annotated Bother CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150351 HD Annotated Bother COCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1F ZINC000082150725 HD Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082152357 HD Annotated Bother COc1cc([C@H]2c3c(nc[nH]c3=O)Oc3[nH]c(=S)[nH]c(=O)c32)cc(OC)c1OC ZINC000082152723 HD Annotated Anodyne COc1cc([C@@H]2c3c(nc[nH]c3=O)Oc3[nH]c(=S)[nH]c(=O)c32)cc(OC)c1OC ZINC000082152725 HD Annotated Anodyne COCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc(C#N)cc1 ZINC000082154564 HD Annotated Mild CN([C@@H]1COc2nc([N+](=O)[O-])cn2C1)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000082155535 HD Annotated Bother CN([C@@H]1COc2nc([N+](=O)[O-])cn2C1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000082156662 HD Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)C2 ZINC000082156920 HD Annotated Bother O=C(COc1ccc(-c2ccc(F)nc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082157188 HD Annotated Bother CCCCNC(=O)OC[C@H](O)Cn1cc(CN2CCN(c3ccccc3)CC2)nn1 ZINC000082158522 HD Annotated Anodyne CCCCNC(=O)OC[C@@H](O)Cn1cc(CN2CCN(c3ccccc3)CC2)nn1 ZINC000082158523 HD Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)CC(=O)N2 ZINC000082165362 HD Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)CC(=O)N2 ZINC000082165363 HD Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082165608 HD Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O ZINC000082165610 HD Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)[C@H](C)C(=O)N2 ZINC000082165859 HD Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)[C@@H](C)C(=O)N2 ZINC000082165861 HD Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)[C@H](C)C(=O)N2 ZINC000082165863 HD Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)[C@@H](C)C(=O)N2 ZINC000082165865 HD Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082166056 HD Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C ZINC000082166058 HD Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082166060 HD Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C ZINC000082166063 HD Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166276 HD Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166278 HD Annotated Mild CCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166636 HD Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166638 HD Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166646 HD Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O ZINC000082166649 HD Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082166661 HD Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](CC(C)C)C(=O)NCCN1CCOCC1)CC(=O)N2 ZINC000082166663 HD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082193849 HD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082193850 HD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082193856 HD Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082194930 HD Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082194933 HD Annotated Anodyne COC(=O)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082195971 HD Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)COC)C3 ZINC000082195999 HD Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)N(C)C)C3 ZINC000082196077 HD Annotated Anodyne CCOC(=O)C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196106 HD Annotated Anodyne COC(=O)CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196109 HD Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)N1CCOCC1)CC3 ZINC000082196159 HD Annotated Anodyne CC(=O)OCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196289 HD Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199061 HD Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199062 HD Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199063 HD Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)CCN3)cc1 ZINC000082204496 HD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)CCN2 ZINC000082204606 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)CCN2 ZINC000082204649 HD Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)CCN3)c1 ZINC000082204730 HD Annotated Anodyne O=C(CCc1cccnc1)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)CCN2 ZINC000082204876 HD Annotated Anodyne NCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204972 HD Annotated Anodyne NCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204976 HD Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CCN)c2=O)C[C@H](Cc2ccccc2)N3)c1 ZINC000082204977 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205042 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205052 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205214 HD Annotated Anodyne C=CCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205323 HD Annotated Mild NCC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205423 HD Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205443 HD Annotated Anodyne NCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205469 HD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205511 HD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205512 HD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205515 HD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205521 HD Annotated Anodyne CCCn1c(=O)c(NC(=O)CCOCC)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205536 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205553 HD Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2)C1CC1 ZINC000082205590 HD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205603 HD Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205629 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205719 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205721 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205726 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205733 HD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205999 HD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206131 HD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206133 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206196 HD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206380 HD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206382 HD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206393 HD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206395 HD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC(=O)OC)c2=O)C[C@H](C(C)C)N3)cc1 ZINC000082206442 HD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC(=O)OC)c2=O)C[C@@H](C(C)C)N3)cc1 ZINC000082206444 HD Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206640 HD Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206642 HD Annotated Anodyne COCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206703 HD Annotated Anodyne COCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206705 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206749 HD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](C(C)C)N2 ZINC000082206776 HD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206778 HD Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206789 HD Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206791 HD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@@H](C)N2 ZINC000082206974 HD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](C)N2 ZINC000082206976 HD Annotated Anodyne C[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207094 HD Annotated Anodyne C[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207095 HD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(CCOC)c2=O)N1 ZINC000082207348 HD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(CCOC)c2=O)N1 ZINC000082207353 HD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(CCOC)c2=O)N1 ZINC000082207733 HD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(CCOC)c2=O)N1 ZINC000082207737 HD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC(=O)OC)c2=O)C[C@@H](CC)N3)cc1 ZINC000082207819 HD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC(=O)OC)c2=O)C[C@H](CC)N3)cc1 ZINC000082207822 HD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207881 HD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207883 HD Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208300 HD Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208303 HD Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082208374 HD Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CN)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082208375 HD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](CC)N2 ZINC000082208409 HD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC)N2 ZINC000082208411 HD Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082208817 HD Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082208819 HD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208886 HD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208888 HD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208896 HD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208899 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208970 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208971 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208981 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208982 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208990 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208993 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209000 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209003 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209010 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209013 HD Annotated Anodyne CC(C)CNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209258 HD Annotated Anodyne CC(C)CNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209261 HD Annotated Anodyne O=C1CCCN1CCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209269 HD Annotated Anodyne O=C1CCCN1CCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209270 HD Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209342 HD Annotated Anodyne CC(C)CNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209372 HD Annotated Anodyne CC(C)CNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209375 HD Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1CCN1CCOCC1)[C@H](c1ccccc1)CN2 ZINC000082209384 HD Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1CCN1CCOCC1)[C@@H](c1ccccc1)CN2 ZINC000082209387 HD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209519 HD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCN)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209523 HD Annotated Anodyne NCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209526 HD Annotated Anodyne NCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209528 HD Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCO ZINC000082209921 HD Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCO ZINC000082209927 HD Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCO ZINC000082209930 HD Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCO ZINC000082209932 HD Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210050 HD Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210052 HD Annotated Mild CC(=O)Nc1c2n(c(=O)n(CCc3scnc3C)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210069 HD Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(CCc3scnc3C)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210072 HD Annotated Anodyne NCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210263 HD Annotated Anodyne NCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210266 HD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210356 HD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210359 HD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210373 HD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210375 HD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210412 HD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210415 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210500 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210502 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210505 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210509 HD Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2)C1CC1 ZINC000082210606 HD Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2)C1CC1 ZINC000082210607 HD Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210610 HD Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210613 HD Annotated Mild CCOCCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082210764 HD Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(CCN4CCCC4=O)c2=O)[C@H](C)CN3)cc1 ZINC000082210829 HD Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(CCN4CCCC4=O)c2=O)[C@@H](C)CN3)cc1 ZINC000082210832 HD Annotated Anodyne C[C@@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082210864 HD Annotated Anodyne C[C@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082210869 HD Annotated Anodyne C[C@@H]1CNc2c(NCc3ccccc3F)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082210871 HD Annotated Anodyne C[C@H]1CNc2c(NCc3ccccc3F)c(=O)n(CCN3CCCC3=O)c(=O)n21 ZINC000082210873 HD Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CCN4CCCC4=O)c2=O)[C@H](C)CN3)c1 ZINC000082210875 HD Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(CCN4CCCC4=O)c2=O)[C@@H](C)CN3)c1 ZINC000082210877 HD Annotated Anodyne C[C@@H]1CNc2c(NCc3ccccc3F)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082210966 HD Annotated Anodyne C[C@H]1CNc2c(NCc3ccccc3F)c(=O)n(CCN3CCOCC3)c(=O)n21 ZINC000082210969 HD Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212112 HD Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212115 HD Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@H](C)CN3)cc1 ZINC000082212123 HD Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H](C)CN3)cc1 ZINC000082212127 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082212423 HD Annotated Anodyne C[C@@H]1CNc2c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212508 HD Annotated Anodyne C[C@H]1CNc2c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212511 HD Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082212977 HD Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082212978 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082224243 HD Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082224260 HD Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]c1=O ZINC000082231292 HD Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235200 HD Annotated Mild C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235201 HD Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235202 HD Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235203 HD Annotated Mild CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235331 HD Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235332 HD Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235333 HD Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235334 HD Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235335 HD Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235336 HD Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235337 HD Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235338 HD Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235343 HD Annotated Anodyne CC(C)C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235344 HD Annotated Anodyne CC(C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C ZINC000082235345 HD Annotated Anodyne CC(C)C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C ZINC000082235346 HD Annotated Anodyne CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235426 HD Annotated Anodyne CCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235427 HD Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235519 HD Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235520 HD Annotated Anodyne CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235528 HD Annotated Anodyne CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O ZINC000082235529 HD Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)C2=O ZINC000082235842 HD Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](C)N([C@H](C(=O)NCCN1CCOCC1)C(C)C)C2=O ZINC000082235843 HD Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](C)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)C2=O ZINC000082235844 HD Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](C)N([C@@H](C(=O)NCCN1CCOCC1)C(C)C)C2=O ZINC000082235845 HD Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235954 HD Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C ZINC000082235955 HD Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082235956 HD Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C ZINC000082235957 HD Annotated Anodyne C=CCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236040 HD Annotated Mild C=CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236041 HD Annotated Mild CCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236135 HD Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236136 HD Annotated Anodyne CCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236137 HD Annotated Anodyne CCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O ZINC000082236138 HD Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@@H](CC(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082236139 HD Annotated Anodyne Cc1cccc2c1NC(=O)CN([C@H](CC(C)C)C(=O)NCCN1CCOCC1)C2=O ZINC000082236140 HD Annotated Anodyne CC(C)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236705 HD Annotated Anodyne CC(C)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236706 HD Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236765 HD Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2cccc(Cl)c2C1=O ZINC000082236766 HD Annotated Anodyne CCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082237075 HD Annotated Anodyne CCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(Cl)cc2C1=O ZINC000082237076 HD Annotated Anodyne COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@H](C)[C@@]3(C)[C@H](O)C/C=C(\C)C(N)=O)C1=O ZINC000083923310 HD Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@@H](C)[C@@]3(C)[C@H](O)C/C=C(\C)C(N)=O)C1=O ZINC000083923312 HD Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@H](C)[C@]3(C)[C@H](O)C/C=C(\C)C(N)=O)C1=O ZINC000083923313 HD Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@@H](C)[C@]3(C)[C@H](O)C/C=C(\C)C(N)=O)C1=O ZINC000083923315 HD Annotated Mild in-vitro CNCc1cc(-c2ccc3c(C(=O)NCCN(C)C)cc4n[nH]c(=O)n4c3c2)cs1 ZINC000084605351 HD Annotated Anodyne COCc1c(O)c(O)c(O)c2c1CO[C@H]2[C@H]1O[C@H](O)c2c(C)c(O)c(O)c(O)c21 ZINC000084614886 HD Annotated Clean COCc1c(O)c(O)c(O)c2c1CO[C@H]2[C@H]1O[C@@H](O)c2c(C)c(O)c(O)c(O)c21 ZINC000084614889 HD Annotated Clean COc1ccc2[nH]c(=O)c(-c3nc4c([nH]3)CN(C(=O)CN3CCOCC3)CC4)cc2c1 ZINC000084616878 HD Annotated Anodyne O=C(CN1CCOCC1)N1CCc2nc(-c3cc4c(F)cccc4[nH]c3=O)[nH]c2C1 ZINC000084617794 HD Annotated Anodyne Nc1nc(Cl)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 ZINC000084633036 HD Annotated Anodyne C=C1C(=O)[C@@]23C(=O)OC[C@]4([C@@H](OC(C)=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@@H]1[C@H]3O ZINC000084635895 HD Annotated Mild C=C1C(=O)[C@@]23C(=O)OC[C@]4(C(=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@@H]1[C@H]3OC(C)=O ZINC000084635897 HD Annotated Mild COc1ccc2c(c1O)N(C(C)=O)[C@H]1C[C@@H]3CCN(C)CC[C@@]21C(=O)[C@]31O[C@H]1C ZINC000084651906 HD Annotated Anodyne O=C1CC(O)=NN1C(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@@H]21 ZINC000084652446 HD Annotated Anodyne O=C1CC(O)=NN1C(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@H]21 ZINC000084652447 HD Annotated Anodyne Nc1cc(O)nn1C(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@@H]21 ZINC000084652448 HD Annotated Anodyne Nc1cc(O)nn1C(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@H]21 ZINC000084652449 HD Annotated Anodyne CCOC(=O)[C@]1(NC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1(C)C ZINC000084653487 HD Annotated Reactive CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1(C)C ZINC000084653488 HD Annotated Reactive COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](C[C@@H](O)[C@@]52CO)[C@]63O)CC[C@@H]41 ZINC000084669259 HD Annotated Anodyne Nc1nc(OC2CCC3(CC2)OCCO3)nc2c1c(=O)ccn2[C@H]1CCC[C@@H]1O ZINC000084671085 HD Annotated Anodyne O=C(C1CN(S(=O)(=O)c2cccnc2Cl)C1)N1CCN(c2ccncc2)CC1 ZINC000084687712 HD Annotated Anodyne C=CCn1c(Sc2ccnc(N3CCN(c4ccncc4)CC3)n2)nnc1C(N)=O ZINC000084688268 HD Annotated Mild NCCC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2n1CC1CCNCC1 ZINC000084688807 HD Annotated Anodyne O=[N+]([O-])c1ncn(CCCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000084689966 HD Annotated Bother O=C(O)CN1C(=O)[C@@]2(NC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc21 ZINC000084708186 HD Annotated Anodyne O=C(O)CN1C(=O)[C@]2(NC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc21 ZINC000084708189 HD Annotated Anodyne CCOC(=O)c1c(N)sc(C(=O)Nn2c(C)nc3ccc(C)cc3c2=O)c1N ZINC000084722991 HD Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](OC(C)=O)N(C[C@H]2OC(C)=O)[C@H]3C1)OCO5 ZINC000084741335 HD Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](OC(C)=O)N(C[C@H]2OC(C)=O)[C@H]3C1)OCO5 ZINC000084741336 HD Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](OC(=O)c4cccnc4)N(C[C@H]2O)[C@H]3C1)OCO5 ZINC000084741338 HD Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](OC(=O)c4cccnc4)N(C[C@H]2O)[C@H]3C1)OCO5 ZINC000084741340 HD Annotated Anodyne C[C@H]1C[C@](O)([C@@H]2CC[C@@H]3[C@@H](C2)C(=O)[C@@H](O)[C@@H]2C(C)(C)[C@H]4CC(=O)[C@@]32CO4)C(=O)O1 ZINC000084741831 HD Annotated Anodyne C[C@@H]1C[C@](O)([C@@H]2CC[C@@H]3[C@@H](C2)C(=O)[C@@H](O)[C@@H]2C(C)(C)[C@H]4CC(=O)[C@@]32CO4)C(=O)O1 ZINC000084741833 HD Annotated Anodyne O=C(OCCOCCOCCO)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC000084758722 HD Annotated Clean CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCO)cc1C2=O ZINC000084758723 HD Annotated Clean CCN(CC)CCCNS(=O)(=O)c1ccc2[nH]c3c(C(N)=O)nccc3c2c1 ZINC000084759279 HD Annotated Anodyne C[C@H](CC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@H]1[C@@H](O)C[C@@H]1[C@H]3CC[C@@H](O)C[C@@H]3C[C@@H](O)[C@H]12 ZINC000084846360 HD Annotated Anodyne O=C1C(C2=N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)=C(O)c2ccccc21 ZINC000008578080 HD Annotated Mild O=C1C(C2=N[C@H](C(=O)O)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)=C(O)c2ccccc21 ZINC000008578082 HD Annotated Mild Cc1cccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C[C@@H]2C)c1 ZINC000008581622 HD Annotated Anodyne CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000008585708 HD Annotated Anodyne COc1ccc(CCNS(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)cc1OC ZINC000008589459 HD Annotated Anodyne CCCS(=O)(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C(=O)C2=O)CC1 ZINC000008599668 HD Annotated Anodyne CCCS(=O)(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1 ZINC000008608509 HD Annotated Anodyne CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)NCCOC)CC3)ccc21 ZINC000008609385 HD Annotated Anodyne CCN(CC)CCOc1ccc(C=NNc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1 ZINC000008616094 HD Annotated Anodyne Cc1cc(Oc2ncnc(N(C)CC(=O)OC(C)(C)C)c2[N+](=O)[O-])c2nncn2n1 ZINC000008662987 HD Annotated Bother Cn1c(N)c(C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)c(=O)n(C)c1=O ZINC000008679941 HD Annotated Anodyne COCC1=Cc2cc3c(cc2[C@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC)OCO3 ZINC000008682183 HD Annotated Anodyne COCC1=Cc2cc3c(cc2[C@@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC)OCO3 ZINC000008682184 HD Annotated Anodyne COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008829534 HD Annotated Bother COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000008829535 HD Annotated Bother Cc1ccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2ccc(C)s2)s1 ZINC000008883414 HD Annotated Anodyne CN[C@@H]1C=CCOc2cc3c(c(O)c21)C(=O)c1c(cc(OC)c(O)c1C(O)O)C3=O ZINC000085486894 HD Annotated Clean in-vitro biogenic C[C@@H]1N[C@H](CC[C@H](O)CCCCCC[C@@H](O)CC(=O)O)[C@@H]([N+]2=CC=N[CH+]2)C[C@H]1O ZINC000085488202 HD Annotated Mild in-vitro biogenic CCNC[C@@](O)(CCCCCC[C@H](O)CC[C@@H]1CC[C@@H](O)[C@H](C)N1)CC(=O)O ZINC000085488229 HD Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)Cc1ccc(O)cc1)CC(C)=C1C(=O)C=C(CO)[C@H]12 ZINC000085510874 HD Annotated Mild in-man endogenous COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@@H](C)[C@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000085531527 HD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(COC(C)=O)[C@@H](CC3=O)OCC(C)(C)[C@H]1CO ZINC000085531857 HD Annotated Mild in-vitro biogenic CC[C@H](O)[C@@H]1CCC[C@H]2[C@@H]3C(=CCCN12)O/C(=C1/OC(=O)C(CO)=C1OC)[C@H]3CO ZINC000085532460 HD Annotated Anodyne in-vitro biogenic CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@H]6OC)[C@@H](C[C@H]23)[C@@H]14 ZINC000085540091 HD Annotated Anodyne in-vitro biogenic CC[C@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC ZINC000085543706 HD Annotated Clean CC[C@@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC ZINC000085543710 HD Annotated Clean Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C2=COC(/C=C/C(=O)O)=CC2=CC(=O)[C@]1(C)O ZINC000085551577 HD Annotated Mild CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@H](O)[C@@H](C)O)[C@](C)([C@@]2(CO)CC1)[C@@]31CO1 ZINC000085554795 HD Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO ZINC000085555134 HD Annotated Mild CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@H](O)[C@H](C)O)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1 ZINC000085562893 HD Annotated Anodyne CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@H](O)[C@H](C)O)[C@](C)([C@@]2(CO)CC1)[C@@]31CO1 ZINC000085562904 HD Annotated Anodyne C[C@H]1C(=O)N2c3ccccc3[C@]3(C[C@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@H]2N1O ZINC000085564458 HD Annotated Anodyne C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@]21C[C@H](n2cnc3ccccc3c2=O)C(=O)O1 ZINC000085564460 HD Annotated Anodyne C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@]21C[C@@H](n2cnc3ccccc3c2=O)C(=O)O1 ZINC000085564465 HD Annotated Anodyne C[C@H]1C(=O)N2c3ccccc3[C@]3(C[C@@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@H]2N1O ZINC000085564472 HD Annotated Anodyne C=CC(C)(C)c1[nH]c2ccc(C[C@H]3OC3(C)C)cc2c1/C=c1\[nH]c(=O)c(=C)[nH]c1=O ZINC000085564499 HD Annotated Mild C=CCc1ccc(O[C@H]2O[C@H]([C@H](O)CCCO)[C@@H](O)[C@H](O)[C@H]2OCCCCC)cc1 ZINC000085592258 HD Annotated Mild in-vitro biogenic Nc1ccc(CC[C@]2(CO)Oc3cc4oc(CO)cc(=O)c4c(O)c3C[C@H]2O)cc1 ZINC000085593579 HD Annotated Clean in-vitro biogenic C[C@]1(CO)Oc2cc3oc([C@H](O)c4cc(O)cc(O)c4)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593581 HD Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCO ZINC000085595322 HD Annotated Anodyne in-vitro biogenic COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@H]2CCCN2C(=O)[C@]1(O)[C@H]3O ZINC000085602161 HD Annotated Anodyne COc1cc(CCC(=O)C[C@H](O)C[C@H](CO)c2ccc(O)c(O)c2)c(CO)cc1O ZINC000085626242 HD Annotated Clean in-vitro biogenic O=C(CCc1ccc(O)c(OCO)c1)C[C@H](O)CCc1ccc(O)c(OCO)c1 ZINC000085626705 HD Annotated Anodyne in-vitro biogenic CNCc1cc(CCC(=O)CC(=O)CCC[C@H](C)NC(=N)NC)cc(OC)c1O ZINC000085627161 HD Annotated Clean in-vitro biogenic CC(=O)OC[C@@]12[C@@H](O)C(=O)[C@]3(C)c4occc4CC[C@]3(C)[C@H]1CC[C@@H](O)[C@]21CO1 ZINC000085639615 HD Annotated Anodyne CCC(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000085722629 HD Annotated Anodyne CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@@H]2OC(=O)C(C)C)OC1=O ZINC000085722639 HD Annotated Anodyne CCC(=O)O[C@H]1C[C@@](C)(O)[C@]2(OC)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000085722652 HD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000085723803 HD Annotated Mild CC(=O)O[C@@H]1[C@H](Oc2ccc(CC#N)cc2)O[C@H](C)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000085909129 HD Annotated Mild in-man CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2ccc(CC#N)cc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000085909131 HD Annotated Mild in-man COC(=O)[C@@]1(O)Cc2cc(OC)c(O)cc2[C@H](c2ccc(O)c(OC)c2)[C@H]1CO ZINC000085931188 HD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C(C)=C2C(=O)C=C(C)[C@]2(O)[C@H]2OC(=O)C(=C)[C@@H]2[C@H]1OC(C)=O ZINC000085943022 HD Annotated Mild COC(=O)C1=Cc2cc(O)c(O)cc2[C@H](c2ccc(C(=O)O)oc2=O)[C@H]1C(=O)O ZINC000085951034 HD Annotated Clean COC(=O)[C@H]1C(C(=O)O)=Cc2cc(O)c(O)cc2[C@@H]1c1ccc(C(=O)O)oc1=O ZINC000085951048 HD Annotated Clean CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@]2(O)C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@@]12C3=O ZINC000085975202 HD Annotated Anodyne Nc1nc2c(c(C(=O)O)n1)-c1c([nH]c(Br)c1Br)C(=O)NC2 ZINC000085995925 HD Annotated Anodyne CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@@]2(O)OC1=O ZINC000086010737 HD Annotated Reactive in-man CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@@H]3C)C[C@@]2(O)OC1=O ZINC000086010739 HD Annotated Reactive in-man CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@H](O)[C@H]3C)C[C@@]2(O)OC1=O ZINC000086010740 HD Annotated Reactive in-man CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@H](O)[C@@H]3C)C[C@@]2(O)OC1=O ZINC000086010742 HD Annotated Reactive in-man CC(C)C[C@H](N)[C@H](O)[C@H](O)C(=O)N[C@@H](CC(C)C)[C@@H]1Cc2cccc(O)c2C(=O)O1 ZINC000087529630 HD Annotated Anodyne in-vitro COc1ccc2c(c1)=C(c1ccc(N3CCOCC3)cc1)NN=C(c1cccnc1)N=2 ZINC000087711575 HD Annotated Clean COc1ccc(N2CCN(S(=O)(=O)c3c(C)nc4sccn4c3=O)CC2)cc1 ZINC000009116892 HD Annotated Clean C[C@H]1COc2c(N3CC[C@@H]([C@@H](N)CC#N)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000009133098 HD Annotated Mild O=C(CCC1=NS(=O)(=O)c2cc(Br)cnc2N1)NCc1ccccn1 ZINC000009252064 HD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N3CCC[C@H](O)CC3)[C@H](C)[C@H]12 ZINC000009307165 HD Annotated Anodyne COc1ccc(CN2CC(SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)C2)cc1 ZINC000009307479 HD Annotated Anodyne in-vivo CCOc1ccc(NC(=O)CCc2nnc3ccc(N4CCN(C)CC4)nn23)cc1 ZINC000009431025 HD Annotated Anodyne COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000009439519 HD Annotated Anodyne O=[N+]([O-])c1ccc(N/N=C/c2cccc(O)c2O)c(S(=O)(=O)N2CCOCC2)c1 ZINC000009443917 HD Annotated Mild O=C1N/C(=N/N=C2/C(=O)Nc3ccc(S(=O)(=O)O)cc32)S/C1=C\c1ccco1 ZINC000094815666 HD Annotated Mild O=C(Nc1ncc(Br)s1)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000009693205 HD Annotated Anodyne O=C(Nc1ncc(Br)s1)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000009693206 HD Annotated Anodyne CCCn1c(N)c(-c2csc(Cc3nnc4n3CCCCC4)n2)c(=O)n(C)c1=O ZINC000009740779 HD Annotated Anodyne Cc1cccnc1NC(=O)CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12 ZINC000009745478 HD Annotated Anodyne Cn1c(=O)c2c(nc(NC[C@@H]3CCCO3)n2Cc2c(F)cccc2Cl)n(C)c1=O ZINC000009781403 HD Annotated Anodyne Cn1c(=O)c2c(nc(NC[C@H]3CCCO3)n2Cc2c(F)cccc2Cl)n(C)c1=O ZINC000009781406 HD Annotated Anodyne COc1cccc(-n2c(=O)n(C)c3c(C(N)=O)nc(-c4ccccc4OC)nc32)c1 ZINC000009835422 HD Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C[C@H](C1=CCOC1=O)S(=O)(=O)O ZINC000095099185 HD Annotated Mild in-vitro biogenic C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C[C@H](C1=CCOC1=O)S(=O)(=O)O ZINC000095099186 HD Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1\C(=O)CO[C@H]1S(=O)(=O)O ZINC000095099188 HD Annotated Mild in-vitro biogenic C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1\C(=O)CO[C@H]1S(=O)(=O)O ZINC000095099189 HD Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1\C(=O)CO[C@H]1S(=O)(=O)O ZINC000095099191 HD Annotated Mild in-vitro biogenic C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1\C(=O)CO[C@H]1S(=O)(=O)O ZINC000095099193 HD Annotated Mild in-vitro biogenic C[C@@H](c1cccc(F)c1)N1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000095350588 HD Annotated Anodyne C[C@H](c1cccc(F)c1)N1CCN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000095350589 HD Annotated Anodyne O=C(CN1C(=O)c2cccnc2S1(=O)=O)N[C@@H](c1ccccc1)c1nccs1 ZINC000095457228 HD Annotated Anodyne O=C(CN1C(=O)c2cccnc2S1(=O)=O)N[C@H](c1ccccc1)c1nccs1 ZINC000095457229 HD Annotated Anodyne Cc1nc2sccn2c1CN(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccccc1O ZINC000095469022 HD Annotated Anodyne Cc1nc2sccn2c1CN(C)C(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccccc1O ZINC000095469023 HD Annotated Anodyne Cc1nc2sccn2c1CN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1O ZINC000095469024 HD Annotated Anodyne Cc1nc2sccn2c1CN(C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1O ZINC000095469025 HD Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](C1=CCOC1=O)S(=O)(=O)O ZINC000095547288 HD Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](C1=CCOC1=O)S(=O)(=O)O ZINC000095547289 HD Annotated Mild CCOC(=O)c1ccc(/N=N/N(C)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)cc1 ZINC000095552195 HD Annotated Reactive C[C@@](CCn1cc(-c2cccc(Cl)c2Cl)nn1)(C(=O)NO)S(C)(=O)=O ZINC000095552466 HD Annotated Bother NC(=O)c1cc2c(N3CC[C@@H](N)C3)c(Br)c(C(F)(F)F)nc2nc1N ZINC000095552582 HD Annotated Anodyne C[C@@](CCn1cc(-c2ccc(Cl)c(Cl)c2)nn1)(C(=O)NO)S(C)(=O)=O ZINC000095552866 HD Annotated Bother CCN(CC)CC(=O)NCc1cn(-c2cccc(I)c2)nn1 ZINC000095553313 HD Annotated Anodyne CCN(CC)CC(=O)NCc1cn(-c2ccc(I)cc2)nn1 ZINC000095554117 HD Annotated Anodyne COc1ccc(-c2cn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)nn2)c(Cl)c1 ZINC000095555022 HD Annotated Bother NC(=O)c1cc2c(N3CC[C@@H](O)C3)c(Br)c(C(F)(F)F)nc2nc1N ZINC000095555732 HD Annotated Anodyne CN(CCO)c1c(Br)c(C(F)(F)F)nc2nc(N)c(C(N)=O)cc12 ZINC000095555769 HD Annotated Anodyne NC(=O)c1cc2c(N3CC(O)C3)c(Br)c(C(F)(F)F)nc2nc1N ZINC000095556403 HD Annotated Anodyne CCNC(=S)N/N=C\c1cc(C(=O)OCC)cc(/C=N\NC(=S)NCC)c1O ZINC000095556736 HD Annotated Mild NC(N)=NC(=O)c1ccc(N2CCC(NC(=O)c3ccc[nH]3)CC2)c(C(F)(F)F)c1 ZINC000095557322 HD Annotated Mild NC(N)=NC(=O)c1ccc(N2CC[C@@H](NC(=O)c3ccc[nH]3)C2)c(C(F)(F)F)c1 ZINC000095557363 HD Annotated Mild NC(N)=NC(=O)c1ccc(N2CC[C@H](NC(=O)c3ccc[nH]3)C2)c(C(F)(F)F)c1 ZINC000095557364 HD Annotated Mild CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(S(C)(=O)=O)CC2 ZINC000095557822 HD Annotated Anodyne COc1cc(Nc2cnc(C#N)c(O[C@@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1 ZINC000095559342 HD Annotated Mild Cc1ccc(-n2c(Cn3ccc(=O)c(S(N)(=O)=O)c3)nc3ccccc3c2=O)cc1 ZINC000095562353 HD Annotated Anodyne CNS(=O)(=O)c1cc(O)c(O)c2c1CN(Cc1ccc(F)c(Cl)c1)C2=O ZINC000095563736 HD Annotated Clean O=C(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccncc1 ZINC000095566408 HD Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(NS(C)(=O)=O)nn3)CC2)c1 ZINC000095566532 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccncc1 ZINC000095566626 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccncc1 ZINC000095566954 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccncc1 ZINC000095567567 HD Annotated Anodyne COc1cccc(NC(=O)N2C[C@H](O)COC[C@@H]3O[C@@H](CC(=O)N(C)C)CC[C@H]32)c1 ZINC000095567647 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccncc1 ZINC000095568253 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccncc1 ZINC000095568612 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccncc1 ZINC000095568884 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccncc1 ZINC000095569565 HD Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2ccco2)CC1 ZINC000095570296 HD Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2ccco2)CC1 ZINC000095570297 HD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095570503 HD Annotated Anodyne NC(=O)Cc1cc([N+](=O)[O-])ccc1CO[P@@](N)(=O)N(CCCl)CCCl ZINC000095572077 HD Annotated Reactive COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OC(C)C)O[C@H]2[C@@]1(C)F ZINC000095573181 HD Annotated Anodyne COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OC(C)C)O[C@H]2[C@@]1(C)F ZINC000095573182 HD Annotated Anodyne CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCC(=O)N4)CC2)cc1 ZINC000095575737 HD Annotated Anodyne N#Cc1cccnc1N1CCC(Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)CC1 ZINC000095576441 HD Annotated Mild O=C1NC(=O)C(=Cc2ccc(OC3CCN(C(=O)c4ccccn4)CC3)cc2)C(=O)N1 ZINC000095577442 HD Annotated Clean CN1CCN(C(=O)C[C@@H]2C/C=C/CCC(=O)O[C@H](c3ccccc3)CNC2=O)CC1 ZINC000095578255 HD Annotated Anodyne CN(C)C(=O)c1cc(N2CCN(C(=O)n3nnc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000095578373 HD Annotated Bother CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1 ZINC000095579619 HD Annotated Anodyne CNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)ccc21 ZINC000095580940 HD Annotated Anodyne O=C1O[C@@H](CO)CN1c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 ZINC000095581244 HD Annotated Anodyne O=C1O[C@H](CO)CN1c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 ZINC000095581245 HD Annotated Anodyne CN(C)c1ccc([C@H]2NC(=S)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095581293 HD Annotated Clean CN(C)c1ccc([C@@H]2NC(=S)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095581294 HD Annotated Clean CN(C)c1ccc([C@H]2NC(=S)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095581295 HD Annotated Clean CN(C)c1ccc([C@@H]2NC(=S)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095581296 HD Annotated Clean CN1CCN(c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)C(=O)C1 ZINC000095581401 HD Annotated Anodyne CC(=O)N1CCN(c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)C1=O ZINC000095581769 HD Annotated Anodyne NC[C@H]1CN(c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)C(=O)O1 ZINC000095582379 HD Annotated Anodyne NC[C@@H]1CN(c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)C(=O)O1 ZINC000095582380 HD Annotated Anodyne CCN1CCN(c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)CC1 ZINC000095582740 HD Annotated Anodyne COc1cc([C@H]2NC(=S)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)ccc1O ZINC000095583249 HD Annotated Anodyne COc1cc([C@@H]2NC(=S)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)ccc1O ZINC000095583250 HD Annotated Anodyne COc1cc([C@H]2NC(=S)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)ccc1O ZINC000095583251 HD Annotated Anodyne COc1cc([C@@H]2NC(=S)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)ccc1O ZINC000095583252 HD Annotated Anodyne N#Cc1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](COP(=O)(O)O)OC(=O)N32)cn1 ZINC000095584124 HD Annotated Mild N#CC1(O)CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1 ZINC000095584795 HD Annotated Reactive O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000095584976 HD Annotated Bother O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12 ZINC000095584977 HD Annotated Bother O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000095584978 HD Annotated Bother O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]12 ZINC000095584979 HD Annotated Bother O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccccc3[N+](=O)[O-])[C@@H]12 ZINC000095585699 HD Annotated Bother O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]12 ZINC000095585700 HD Annotated Bother O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccccc3[N+](=O)[O-])[C@H]12 ZINC000095585701 HD Annotated Bother O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccccc3[N+](=O)[O-])[C@H]12 ZINC000095585702 HD Annotated Bother CN[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C/C1=N\OC ZINC000095586445 HD Annotated Mild CN[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C/C1=N\OC ZINC000095586446 HD Annotated Mild CCCCCCCCCCCCOCC#CCOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC000095587371 HD Annotated Mild Cn1nccc1-c1cn(CCCCO)c(Cn2c(=O)n(C3CC3)c3ccncc32)n1 ZINC000095588284 HD Annotated Anodyne CCOC(=O)C[n+]1cn(C)c(I)c1I ZINC000095588426 HD Annotated Mild Cn1ccnc1-c1cn(CCCCO)c(Cn2c(=O)n(C3CC3)c3ccncc32)n1 ZINC000095588896 HD Annotated Anodyne N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000095589000 HD Annotated Mild Cc1c(O)c2c(c(O)c1CO[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1)C(=O)c1ccccc1C2=O ZINC000095589730 HD Annotated Clean CO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC[C@@H]1N ZINC000095590592 HD Annotated Mild CO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC[C@H]1N ZINC000095590593 HD Annotated Mild COc1cccc2c1C(=O)c1c(OC)cc(C[N+]34CN5CN(CN(C5)C3)C4)cc1C2=O ZINC000095591186 HD Annotated Clean N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)c2ccc3cnccc3n2)CC1 ZINC000095591535 HD Annotated Mild N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C1CCN(C(=O)c2cnc3ccccc3n2)CC1 ZINC000095592440 HD Annotated Mild CC(=O)c1ncnc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000095593784 HD Annotated Anodyne O=C(O)Cc1cs/c(=N\C(=O)CS(=O)(=O)Cc2ccc3ccccc3c2)n1O ZINC000095596218 HD Annotated Anodyne CCOc1ncnc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000095597039 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095598725 HD Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC ZINC000095598756 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095599361 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095599369 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095599506 HD Annotated Anodyne CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095599829 HD Annotated Mild COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095600103 HD Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1 ZINC000095600163 HD Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ncccn2)CC1 ZINC000095600164 HD Annotated Anodyne O=C(c1ccco1)N1CCN([C@H]2CN(CCc3ccccc3)S(=O)(=O)C2)CC1 ZINC000095600341 HD Annotated Anodyne O=C(c1ccco1)N1CCN([C@@H]2CN(CCc3ccccc3)S(=O)(=O)C2)CC1 ZINC000095600342 HD Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1ccco1 ZINC000095600697 HD Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1ccco1 ZINC000095600698 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095600809 HD Annotated Anodyne CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095601947 HD Annotated Mild C[C@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095602404 HD Annotated Anodyne CNC[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095603016 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095603053 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2cnccn2)[C@H](CO)O1)Nc1ccc(F)cc1 ZINC000095604591 HD Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@H](N1CCN(c3ncccc3C#N)CC1)C(=O)N2 ZINC000095604841 HD Annotated Mild Cc1cc2c(cc1C)-n1nnnc1[C@@H](N1CCN(c3ncccc3C#N)CC1)C(=O)N2 ZINC000095604842 HD Annotated Mild CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095605083 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@H](C)CO2 ZINC000095605669 HD Annotated Anodyne CCN(C)[C@@H]1CN(Cc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)C1 ZINC000095605722 HD Annotated Anodyne CCN(C)[C@H]1CN(Cc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)C1 ZINC000095605723 HD Annotated Anodyne C[C@@]1(C2OCCO2)Oc2ccc(N)cc2[C@H](/N=C(\NC#N)NCc2ccccc2)[C@@H]1O ZINC000095607474 HD Annotated Mild O=C1[C@@H]2CCCCN2C(=O)N1CN1CCN(c2cccc3c2COCCO3)CC1 ZINC000095607813 HD Annotated Anodyne O=C1[C@H]2CCCCN2C(=O)N1CN1CCN(c2cccc3c2COCCO3)CC1 ZINC000095607814 HD Annotated Anodyne CC(C)[C@@]1(C(=O)N[C@H]2CC(=O)O[C@]2(O)CF)CC(c2cccc3ccncc23)=NO1 ZINC000095627972 HD Annotated Anodyne in-man CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3ccccc3Cl)CC[C@H]21 ZINC000095661056 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4C)cc3)[C@@H]2C1 ZINC000095661152 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CCN(S(C)(=O)=O)CC1 ZINC000095661437 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095661689 HD Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095661824 HD Annotated Anodyne CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@H]23)cc1 ZINC000095661839 HD Annotated Mild COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CN(S(=O)(=O)c2ccccc2)C1 ZINC000095661916 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(S(C)(=O)=O)CC1 ZINC000095662118 HD Annotated Anodyne CCCNC(=O)N1CC2(CN(C(C)=O)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095662125 HD Annotated Anodyne CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095662279 HD Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)Cc4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095662395 HD Annotated Mild CNC[C@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095662437 HD Annotated Anodyne CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@H]23)cc1 ZINC000095662915 HD Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095663186 HD Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4C)cc3)[C@@H]2C1 ZINC000095663290 HD Annotated Anodyne CN(C)CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2 ZINC000095663372 HD Annotated Anodyne CN(C)CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2 ZINC000095663405 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4C)cc3)[C@H]2C1 ZINC000095663421 HD Annotated Anodyne CC(C)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Cc4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095663434 HD Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095663633 HD Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095663976 HD Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(C(=O)NC(C)C)C1 ZINC000095664057 HD Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)CN(C)C)cc3C(=O)N2C)O1 ZINC000095664069 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095664394 HD Annotated Anodyne CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccc(C(=O)N(C)C)cc2)[C@H]1CO ZINC000095664545 HD Annotated Mild O=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](CO)O1 ZINC000095665335 HD Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095666951 HD Annotated Anodyne O=C(CN1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1 ZINC000095666952 HD Annotated Anodyne CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(C(=O)N(C)C)c2)[C@H]1CO ZINC000095667132 HD Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2cccc(C(=O)N(C)C)c2)[C@@H]1C#N ZINC000095667220 HD Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(C(=O)N(C)C)c2)[C@@H]1CO ZINC000095667224 HD Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(C(=O)N(C)C)c2)[C@H]1CO ZINC000095667228 HD Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2cccc(C(=O)N(C)C)c2)[C@@H]1CO ZINC000095667232 HD Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@H](c2ccccc2-c2cccc(C(=O)N(C)C)c2)[C@@H]1CO ZINC000095667241 HD Annotated Mild COCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)NC1CCCCC1)C2 ZINC000095667314 HD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)NC1CCCCC1)C2 ZINC000095667318 HD Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095667427 HD Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095667430 HD Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095667433 HD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)NC1CCCCC1)C2 ZINC000095667446 HD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)NC1CCCCC1)C2 ZINC000095667450 HD Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2 ZINC000095667525 HD Annotated Anodyne CN(C)CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1cccc(F)c1)C2 ZINC000095667742 HD Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@H](CO)N2C(=O)COC ZINC000095667783 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095667795 HD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@H](CO)N2C(=O)COC ZINC000095667833 HD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@@H](CO)N2C(=O)COC ZINC000095667837 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095667842 HD Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095668286 HD Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@H](C)CO2 ZINC000095668395 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)OC)O[C@@H]1CO2 ZINC000095668470 HD Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@H](CO)N2C(=O)COC ZINC000095668480 HD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H](CO)N2C(=O)COC ZINC000095668484 HD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@H](CO)N2C(=O)COC ZINC000095668488 HD Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H](CO)N2C(=O)COC ZINC000095668492 HD Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCOCC1 ZINC000095668510 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095675099 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095675100 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095675101 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095675102 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095675103 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095675104 HD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)[C@H](CO)O2)nn1 ZINC000095675239 HD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)[C@@H](CO)O2)nn1 ZINC000095675240 HD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)[C@H](CO)O2)nn1 ZINC000095675241 HD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)[C@@H](CO)O2)nn1 ZINC000095675242 HD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)[C@H](CO)O2)nn1 ZINC000095675243 HD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)[C@@H](CO)O2)nn1 ZINC000095675244 HD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NS(=O)(=O)Cc3ccccc3)[C@H](CO)O2)nn1 ZINC000095675245 HD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)Cc3ccccc3)[C@@H](CO)O2)nn1 ZINC000095675246 HD Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3c(C)noc3C)[C@H](CO)O2)nn1 ZINC000095675251 HD Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3c(C)noc3C)[C@@H](CO)O2)nn1 ZINC000095675252 HD Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3c(C)noc3C)[C@H](CO)O2)nn1 ZINC000095675253 HD Annotated Anodyne COCc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3c(C)noc3C)[C@@H](CO)O2)nn1 ZINC000095675254 HD Annotated Anodyne COCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3c(C)noc3C)[C@H](CO)O2)nn1 ZINC000095675255 HD Annotated Anodyne COCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3c(C)noc3C)[C@@H](CO)O2)nn1 ZINC000095675256 HD Annotated Anodyne COCc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3c(C)noc3C)[C@H](CO)O2)nn1 ZINC000095675257 HD Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3c(C)noc3C)[C@@H](CO)O2)nn1 ZINC000095675258 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO)c1cnccn1 ZINC000095675356 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO)c1cnccn1 ZINC000095675357 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO)c1cnccn1 ZINC000095675358 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO)c1cnccn1 ZINC000095675359 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO)c1cnccn1 ZINC000095675360 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO)c1cnccn1 ZINC000095675361 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO)c1cnccn1 ZINC000095675362 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO)c1cnccn1 ZINC000095675363 HD Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CCNS(=O)(=O)Cc2ccccc2)O[C@H]1CO ZINC000095675403 HD Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CCNS(=O)(=O)Cc2ccccc2)O[C@@H]1CO ZINC000095675404 HD Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CCNS(=O)(=O)Cc2ccccc2)O[C@@H]1CO ZINC000095675405 HD Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CCNS(=O)(=O)Cc2ccccc2)O[C@@H]1CO ZINC000095675406 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@H](CO)O1 ZINC000095675548 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1 ZINC000095675549 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095675550 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095675551 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@H](CO)O1 ZINC000095675552 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095675553 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1 ZINC000095675554 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1 ZINC000095675555 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095675790 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095675791 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095675792 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095675793 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095675794 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095675795 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095675796 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095675797 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO)c1ccccn1 ZINC000095675912 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO)c1ccccn1 ZINC000095675913 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO)c1ccccn1 ZINC000095675914 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO)c1ccccn1 ZINC000095675915 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO)c1ccccn1 ZINC000095675916 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO)c1ccccn1 ZINC000095675917 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(Cc3ccccc3)nn2)O[C@H]1CO)c1ccccn1 ZINC000095675918 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(Cc3ccccc3)nn2)O[C@@H]1CO)c1ccccn1 ZINC000095675919 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095675996 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095675997 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095675998 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095675999 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095676000 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095676001 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095676002 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095676003 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCOCC1 ZINC000095676577 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCOCC1 ZINC000095676580 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCOCC1 ZINC000095676582 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCOCC1 ZINC000095676584 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCOCC1 ZINC000095676586 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCOCC1 ZINC000095676589 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCOCC1 ZINC000095676591 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCOCC1 ZINC000095676593 HD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095676595 HD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095676598 HD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095676600 HD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095676603 HD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095676605 HD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095676607 HD Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095676610 HD Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095676770 HD Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095676772 HD Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095676774 HD Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095676775 HD Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095676776 HD Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095676777 HD Annotated Anodyne O=S(=O)(N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1ccc(F)cc1 ZINC000095676778 HD Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1ccc(F)cc1 ZINC000095676779 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095676884 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095676885 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095676886 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095676888 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095676890 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095676892 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCNC(=O)C2CC2)O[C@H]1CO ZINC000095676893 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H](CCNC(=O)C2CC2)O[C@@H]1CO ZINC000095676896 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095676931 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095676932 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095676934 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095676935 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095676936 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095676937 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095676938 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095676939 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095677238 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095677239 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095677240 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095677241 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095677242 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095677243 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095677244 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095677245 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCC1 ZINC000095677343 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCC1 ZINC000095677344 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCC1 ZINC000095677345 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCC1 ZINC000095677346 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCC1 ZINC000095677347 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCC1 ZINC000095677348 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCC1 ZINC000095677349 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCC1 ZINC000095677350 HD Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095677575 HD Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095677576 HD Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095677577 HD Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095677578 HD Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095677579 HD Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095677580 HD Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095677581 HD Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095677582 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@@H](NC(=O)CC3CC3)[C@H](CO)O2)cc1 ZINC000095677613 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)CC3CC3)[C@@H](CO)O2)cc1 ZINC000095677614 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)CC3CC3)[C@H](CO)O2)cc1 ZINC000095677615 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@H](NC(=O)CC3CC3)[C@@H](CO)O2)cc1 ZINC000095677616 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@@H](NC(=O)CC3CC3)[C@H](CO)O2)cc1 ZINC000095677617 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@@H](NC(=O)CC3CC3)[C@@H](CO)O2)cc1 ZINC000095677618 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@H](NC(=O)CC3CC3)[C@H](CO)O2)cc1 ZINC000095677619 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@@H](NC(=O)CC3CC3)[C@@H](CO)O2)cc1 ZINC000095677620 HD Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677621 HD Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677622 HD Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677623 HD Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677624 HD Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677625 HD Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677628 HD Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677630 HD Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095677632 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095677978 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095677980 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095677981 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095677983 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095677985 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095677986 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095677987 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095677988 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095678358 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095678359 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095678360 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095678362 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095678365 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095678367 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095678368 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095678370 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095678371 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095678373 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095678374 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095678375 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095678376 HD Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@@H](C)CO2 ZINC000095688592 HD Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@@H](C)CO2 ZINC000095688593 HD Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@H](C)CO2 ZINC000095688594 HD Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@@H](C)CO2 ZINC000095688595 HD Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@H](C)CO2 ZINC000095688596 HD Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@@H](C)CO2 ZINC000095688597 HD Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@H](C)CO2 ZINC000095688598 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688830 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688831 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688832 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688833 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688834 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688835 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688836 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C)[C@H](C)CO2 ZINC000095691440 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@@H](C)CO2 ZINC000095691591 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C)[C@@H](C)CO2 ZINC000095691671 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@@H](C)CO2 ZINC000095691718 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@@H](C)CO2 ZINC000095692021 HD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095692264 HD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095692402 HD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095692459 HD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095692523 HD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095692657 HD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095692661 HD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095692702 HD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095692712 HD Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)CC1CCCC1 ZINC000095694033 HD Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)CC1CCCC1 ZINC000095694035 HD Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)CC1CCCC1 ZINC000095694037 HD Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)C ZINC000095702506 HD Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)C ZINC000095702507 HD Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095702508 HD Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)C ZINC000095702509 HD Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)C ZINC000095702510 HD Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@H]1CN(C)C ZINC000095702511 HD Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#CC3CC3)ccc2S1(=O)=O ZINC000095702512 HD Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC3CC3)cc2O[C@@H]1CN(C)C ZINC000095702513 HD Annotated Mild COCC#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709330 HD Annotated Mild COCC#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709331 HD Annotated Mild COCC#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709332 HD Annotated Mild COCC#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709333 HD Annotated Mild COCC#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709334 HD Annotated Mild COCC#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709335 HD Annotated Mild COCC#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709336 HD Annotated Mild COCC#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709337 HD Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CCN(C)C)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095710705 HD Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CCN(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095710707 HD Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CCN(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095710710 HD Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CCN(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710712 HD Annotated Mild CCCN(C)C[C@@H]1Oc2ncc(C#CCN(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095710714 HD Annotated Mild C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC3(O)CCCC3)cnc2O[C@@H]1CN(C)C ZINC000095711740 HD Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2ncc(C#CC3(O)CCCC3)cc2C1=O ZINC000095711742 HD Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC3(O)CCCC3)cnc2O[C@H]1CN(C)C ZINC000095711744 HD Annotated Mild C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CC3(O)CCCC3)cnc2O[C@@H]1CN(C)C ZINC000095711746 HD Annotated Mild C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC3(O)CCCC3)cnc2O[C@H]1CN(C)C ZINC000095711749 HD Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2ncc(C#CC3(O)CCCC3)cc2C1=O ZINC000095711751 HD Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC3(O)CCCC3)cnc2O[C@@H]1CN(C)C ZINC000095711753 HD Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(C)=O)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712361 HD Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(C)=O)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712364 HD Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(C)=O)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712367 HD Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(C)=O)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712370 HD Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(C)=O)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712373 HD Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(C)=O)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712376 HD Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(C)=O)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095712381 HD Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(C)=O)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095712383 HD Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CC3(O)CCCC3)cnc2O[C@H]1CN(C)C ZINC000095712444 HD Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)C ZINC000095714630 HD Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)C ZINC000095714632 HD Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(Br)ccc2S1(=O)=O ZINC000095714635 HD Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)C ZINC000095714636 HD Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)C ZINC000095714639 HD Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)C ZINC000095714641 HD Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(Br)ccc2S1(=O)=O ZINC000095714644 HD Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)C ZINC000095714646 HD Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC(C)(C)O)cc2O[C@H]1CN(C)C ZINC000095715200 HD Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC(C)(C)O)cc2O[C@@H]1CN(C)C ZINC000095715202 HD Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C#CC(C)(C)O)ccc2S1(=O)=O ZINC000095715205 HD Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC(C)(C)O)cc2O[C@H]1CN(C)C ZINC000095715206 HD Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC(C)(C)O)cc2O[C@@H]1CN(C)C ZINC000095715208 HD Annotated Mild C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC(C)(C)O)cc2O[C@H]1CN(C)C ZINC000095715210 HD Annotated Mild C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C#CC(C)(C)O)ccc2S1(=O)=O ZINC000095715212 HD Annotated Mild C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C#CC(C)(C)O)cc2O[C@@H]1CN(C)C ZINC000095715213 HD Annotated Mild CNC[C@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715606 HD Annotated Anodyne CNC[C@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095715608 HD Annotated Anodyne CNC[C@@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715610 HD Annotated Anodyne CNC[C@@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715612 HD Annotated Anodyne CNC[C@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715614 HD Annotated Anodyne CCCN(C)C[C@H]1Oc2ncc(C#CCOC)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095715646 HD Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CCOC)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095715647 HD Annotated Mild CCCN(C)C[C@@H]1Oc2ncc(C#CCOC)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095715650 HD Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@H]1CN(C)C ZINC000095715732 HD Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@@H]1CN(C)C ZINC000095715734 HD Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(-c3cncnc3)ccc2S1(=O)=O ZINC000095715736 HD Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@H]1CN(C)C ZINC000095715738 HD Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@@H]1CN(C)C ZINC000095715739 HD Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@H]1CN(C)C ZINC000095715741 HD Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(-c3cncnc3)ccc2S1(=O)=O ZINC000095715743 HD Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@@H]1CN(C)C ZINC000095715745 HD Annotated Anodyne CCCN(C)C[C@@H]1Oc2ncc(C#CCOC)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095716242 HD Annotated Mild CNC[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095717191 HD Annotated Anodyne CNC[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095717194 HD Annotated Anodyne CNC[C@@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095717196 HD Annotated Anodyne CNC[C@H]1Oc2cc(-c3ccncc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095717198 HD Annotated Anodyne CNC[C@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095730221 HD Annotated Anodyne CNC[C@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095731341 HD Annotated Mild CNC[C@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095731476 HD Annotated Mild CNC[C@@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095731649 HD Annotated Mild CNC[C@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095731738 HD Annotated Mild CNC[C@@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095732060 HD Annotated Mild CNC[C@@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095732090 HD Annotated Mild CNC[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095732130 HD Annotated Anodyne CNC[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095732321 HD Annotated Anodyne CNC[C@@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095732817 HD Annotated Anodyne CNC[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095732937 HD Annotated Anodyne CNC[C@H]1Oc2cc(-c3cccnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095732948 HD Annotated Anodyne CNC[C@@H]1Oc2ncc(C#Cc3cccc(OC)c3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095734179 HD Annotated Mild CNC[C@H]1Oc2ncc(C#Cc3cccc(OC)c3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095734414 HD Annotated Mild CNC[C@@H]1Oc2ncc(C#Cc3cccc(OC)c3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095734418 HD Annotated Mild CNC[C@H]1Oc2ncc(C#Cc3cccc(OC)c3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095734627 HD Annotated Mild C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)CC1CCCC1 ZINC000095771987 HD Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCC2)OCc2cnnn2CCCC1=O ZINC000095773058 HD Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)CC1CCCC1 ZINC000095773294 HD Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCC2)OCc2cn(nn2)CCCC1=O ZINC000095783072 HD Annotated Anodyne CC1=C([C@H](O)CCc2ccccc2)[C@H](CO)n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000095783919 HD Annotated Anodyne Cc1nc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccc(OCCO)cc3)C2)cn1C ZINC000095784199 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1cccnc1)CC31CN(C)C1 ZINC000095793623 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1cccnc1)CC31CN(C)C1 ZINC000095793876 HD Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095793887 HD Annotated Anodyne O=C(c1cnccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095793888 HD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3cncnc3)C23CN(C(=O)COC)C3)cc1 ZINC000095793991 HD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(Cc3cncnc3)C23CN(C(=O)COC)C3)cc1 ZINC000095793993 HD Annotated Anodyne CCS(=O)(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CCCCC1)C2 ZINC000095794014 HD Annotated Anodyne CCS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)C1CCCCC1)C2 ZINC000095794015 HD Annotated Anodyne CS(=O)(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2 ZINC000095794027 HD Annotated Anodyne CCS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccc1F)C2 ZINC000095794050 HD Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095794084 HD Annotated Anodyne CCC(=O)N1[C@@H]2c3cccc(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1Cc2ccccc2C1 ZINC000095794086 HD Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095794104 HD Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095794106 HD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095794192 HD Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095794199 HD Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095794228 HD Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095794303 HD Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095794305 HD Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)Cc1ccccc1 ZINC000095794307 HD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@H](c2ccc(-c3cccc(OC)c3)cc2)C12CN(C(C)=O)C2 ZINC000095794363 HD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CC3CC3)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095794402 HD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC3CC3)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095794404 HD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC3CC3)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095794406 HD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(OC)c3)cc2)C12CN(C(C)=O)C2 ZINC000095794453 HD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(OC)c3)cc2)C12CN(C(C)=O)C2 ZINC000095794455 HD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3cccc(OC)c3)cc2)C12CN(C(C)=O)C2 ZINC000095794458 HD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095794520 HD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095794522 HD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095794524 HD Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095794560 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2Cc1cc(F)ccc1F ZINC000095794595 HD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccccc3OC)cc2)C12CN(C(C)=O)C2 ZINC000095794716 HD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3OC)cc2)C12CN(C(C)=O)C2 ZINC000095794717 HD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@H](c2ccc(-c3ccccc3OC)cc2)C12CN(C(C)=O)C2 ZINC000095794719 HD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3OC)cc2)C12CN(C(C)=O)C2 ZINC000095794721 HD Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1cccc(F)c1)C2 ZINC000095794764 HD Annotated Anodyne CN(C)CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1cccc(F)c1)C2 ZINC000095794765 HD Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccc(F)cc1)C2 ZINC000095794787 HD Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)NC1Cc3ccccc3C1)[C@@H]2CO ZINC000095794834 HD Annotated Anodyne O=C(c1cnccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095794863 HD Annotated Anodyne O=C(c1cnccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095794864 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095794902 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095794903 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095794904 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095794905 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095794906 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095794907 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095794937 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095794938 HD Annotated Anodyne CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095794945 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095794946 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095794948 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095794949 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095794950 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095794951 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095794952 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095794953 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095794954 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095794987 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095794988 HD Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095794989 HD Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC(C)C)cc3)[C@H]2C1 ZINC000095794990 HD Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095794991 HD Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC(C)C)cc1)[C@@H]2CO ZINC000095794992 HD Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795214 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795216 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095795217 HD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795270 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795271 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095795272 HD Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@@H]23)cc1 ZINC000095795290 HD Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@H]23)cc1 ZINC000095795291 HD Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@@H]23)cc1 ZINC000095795292 HD Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@H]23)cc1 ZINC000095795293 HD Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CCCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795294 HD Annotated Mild COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CCCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795317 HD Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@@H]23)cc1 ZINC000095795318 HD Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@@H]23)cc1 ZINC000095795319 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795331 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095795332 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795378 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095795380 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095795382 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095795493 HD Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095795533 HD Annotated Mild O=C(CCN1CCCCC1)NCC[C@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1 ZINC000095795540 HD Annotated Anodyne CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095795600 HD Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795601 HD Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795602 HD Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@H]23)cc1 ZINC000095795603 HD Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095795604 HD Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095795605 HD Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@H]23)cc1 ZINC000095795606 HD Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095795607 HD Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095795711 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095795712 HD Annotated Anodyne COc1cccc(C#Cc2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(C)=O)C[C@@H]34)cc2)c1 ZINC000095795726 HD Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095795734 HD Annotated Anodyne COc1cccc(C#Cc2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(C)=O)C[C@@H]34)cc2)c1 ZINC000095795742 HD Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(C)=O)C[C@H]34)cc2)c1 ZINC000095795743 HD Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@H]4CN(C(C)=O)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095795744 HD Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(C)=O)C[C@H]34)cc2)c1 ZINC000095795745 HD Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(C)=O)C[C@@H]34)cc2)c1 ZINC000095795746 HD Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(C)=O)C[C@@H]34)cc2)c1 ZINC000095795747 HD Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@H]4CN(C(C)=O)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095795748 HD Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095795849 HD Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@H]23)cc1 ZINC000095795850 HD Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccccn4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795851 HD Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccccn4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795852 HD Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095795853 HD Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095795869 HD Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@H]23)cc1 ZINC000095795870 HD Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095795871 HD Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(S(=O)(=O)c2ccccc2)C1 ZINC000095795993 HD Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)CN(C)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796014 HD Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)CN(C)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095796016 HD Annotated Anodyne CCCNC(=O)N1CC2(CN(C(C)=O)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095796030 HD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095796240 HD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCC2)C3)cc1 ZINC000095796254 HD Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095796260 HD Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095796262 HD Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095796263 HD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCC2)C3)cc1 ZINC000095796278 HD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCC2)C3)cc1 ZINC000095796279 HD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095796284 HD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095796286 HD Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095796306 HD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(S(=O)(=O)c2cccs2)C1 ZINC000095796325 HD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CN(S(=O)(=O)c2cccs2)C1 ZINC000095796326 HD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CCN(C(=O)CN(C)C)CC1 ZINC000095796331 HD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CN(CC2CC2)C1 ZINC000095796337 HD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CN(CC2CC2)C1 ZINC000095796338 HD Annotated Anodyne CS(=O)(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccc1F)C2 ZINC000095796405 HD Annotated Anodyne CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccc1F)C2 ZINC000095796407 HD Annotated Anodyne CS(=O)(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccccc1F)C2 ZINC000095796408 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CN(C)C1 ZINC000095796430 HD Annotated Anodyne CCCC(=O)N1CC2(CN(S(C)(=O)=O)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095796632 HD Annotated Anodyne CCCC(=O)N1CC2(CN(S(C)(=O)=O)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095796633 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095796816 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCC3)N(C(=O)C3CC3)[C@@H]21 ZINC000095796825 HD Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCOCC1 ZINC000095796837 HD Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCOCC1 ZINC000095796844 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095796845 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095796879 HD Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3C(=O)CN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095796905 HD Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(C)(=O)=O)CC(=O)N3[C@H]2CO)cc1 ZINC000095796906 HD Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(C)(=O)=O)C[C@H]23)cc1 ZINC000095796907 HD Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(C)(=O)=O)CC(=O)N3[C@H]2CO)cc1 ZINC000095796908 HD Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095796909 HD Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C(=O)CC ZINC000095796933 HD Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1C(C)=O ZINC000095796973 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095797012 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095797057 HD Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCOCC1 ZINC000095797059 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095797072 HD Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797090 HD Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797091 HD Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797092 HD Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797093 HD Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095797094 HD Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797095 HD Annotated Mild O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095797096 HD Annotated Mild CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@H]2N1C ZINC000095797108 HD Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797135 HD Annotated Mild O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCOCC1 ZINC000095797154 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1C(C)=O ZINC000095797167 HD Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@@H]2N1C ZINC000095797189 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095797214 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cc(F)ccc1F ZINC000095797218 HD Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCOCC1 ZINC000095797221 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095797251 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095797262 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797296 HD Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797297 HD Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095797400 HD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 ZINC000095797428 HD Annotated Anodyne COc1ccc(-c2ccc3n(c2=O)C[C@@H]2N[C@H]3[C@H](C(=O)N3CCCCC3)[C@H]2CO)cc1 ZINC000095797506 HD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1 ZINC000095797564 HD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)C3CC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095797613 HD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095797617 HD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 ZINC000095797618 HD Annotated Anodyne COc1ccc(-c2ccc3n(c2=O)C[C@H]2N[C@@H]3[C@@H](C(=O)N3CCCCC3)[C@@H]2CO)cc1 ZINC000095797651 HD Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797673 HD Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797674 HD Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095797675 HD Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095797676 HD Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797677 HD Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccc(C(=O)N(C)C)cc2)[C@@H]1C#N ZINC000095797695 HD Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797713 HD Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797714 HD Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797715 HD Annotated Mild COc1cccc(CN2C[C@H]3O[C@H](CNS(=O)(=O)c4cn(C)cn4)CC[C@H]32)c1 ZINC000095797749 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797774 HD Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797775 HD Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797776 HD Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095797777 HD Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095797778 HD Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797780 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797827 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797828 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797829 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095797830 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095797831 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095797832 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095797833 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095797838 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095798032 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095798033 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095798034 HD Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095798035 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095798036 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095798037 HD Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095798081 HD Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095798082 HD Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095798083 HD Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095798084 HD Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095798085 HD Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095798086 HD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@H]2C1 ZINC000095798093 HD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@@H]2C1 ZINC000095798094 HD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@@H]2C1 ZINC000095798095 HD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(C(=O)N(C)C)cc3)cc1)[C@@H]2CO ZINC000095798096 HD Annotated Anodyne CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3)[C@@H]2C1 ZINC000095798097 HD Annotated Anodyne CN(C)CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1 ZINC000095798098 HD Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@H]23)cc1 ZINC000095798105 HD Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095798106 HD Annotated Mild CN(C)CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)[C@@H]2C1 ZINC000095798107 HD Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095798115 HD Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Cc4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095798116 HD Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095798117 HD Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@H]23)cc1 ZINC000095798118 HD Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Cc4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095798119 HD Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095798120 HD Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095798149 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095798150 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095798151 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095798152 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095798153 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095798154 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095798155 HD Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095798156 HD Annotated Anodyne CS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095798166 HD Annotated Mild CS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095798167 HD Annotated Mild COCC1=C([C@H](O)c2ccccc2)[C@H](CO)n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000095798290 HD Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2 ZINC000095798413 HD Annotated Anodyne CN(C)CC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2ccc(C(=O)N(C)C)cc2)[C@@H]1CO ZINC000095798428 HD Annotated Mild CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NCC1CC1)[C@@H]2CO ZINC000095798452 HD Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(C)=O)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095798505 HD Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(C)=O)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095798506 HD Annotated Anodyne CC(=O)N1[C@H](C(=O)NC2CCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095798532 HD Annotated Anodyne CCOC(=O)[C@@H]1C=C2C(=O)N3C=CC=C[C@H]3N=C2N(Cc2ccco2)/C1=N\C(C)=O ZINC000095798542 HD Annotated Mild CCOC(=O)[C@H]1C=C2C(=O)N3C=CC=C[C@H]3N=C2N(Cc2ccco2)/C1=N\C(C)=O ZINC000095798543 HD Annotated Mild CCOC(=O)[C@@H]1C=C2C(=O)N3C=CC=C[C@@H]3N=C2N(Cc2ccco2)/C1=N\C(C)=O ZINC000095798544 HD Annotated Mild CCOC(=O)[C@H]1C=C2C(=O)N3C=CC=C[C@@H]3N=C2N(Cc2ccco2)/C1=N\C(C)=O ZINC000095798545 HD Annotated Mild Cc1nnc(Sc2ccc(/C=N/NC(=O)c3ccc(C(=O)NO)cc3)o2)n1C ZINC000095809305 HD Annotated Reactive Cc1nnc(Sc2ccc(/C=N/NC(=O)c3cccc(C(=O)NO)c3)o2)n1C ZINC000095809713 HD Annotated Reactive C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)CC1CCCC1 ZINC000095810140 HD Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)CC1CCCC1 ZINC000095818370 HD Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)CC1CCCC1 ZINC000095818375 HD Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)CC1CCCC1 ZINC000095818620 HD Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)CC1CCCC1 ZINC000095818625 HD Annotated Anodyne CCC[C@H](O)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C)O2 ZINC000095854503 HD Annotated Mild CCC[C@@H](O)C#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C)O2 ZINC000095854504 HD Annotated Mild CNC[C@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095854684 HD Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3cnccn3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095854686 HD Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095856131 HD Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3cnccn3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095856133 HD Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3cnccn3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095856801 HD Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3cnccn3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095856817 HD Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095856839 HD Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3cnccn3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095857609 HD Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095859287 HD Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095859920 HD Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3cnccn3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095859944 HD Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095859966 HD Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095860709 HD Annotated Anodyne CNC[C@H]1Oc2c(NC(=O)c3cnccn3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095860719 HD Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095861473 HD Annotated Anodyne CNC[C@@H]1Oc2c(NC(=O)c3cnccn3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095861476 HD Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2cccnc2)c3=O)[C@@H]1CO ZINC000095864519 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CN(C)C1 ZINC000095864744 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CN(C)C1 ZINC000095864791 HD Annotated Anodyne COCC(=O)N1CC2(CCN(C(C)=O)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865094 HD Annotated Anodyne COCC(=O)N1CC2(CCN(C(C)=O)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865096 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CN(C)C1 ZINC000095865311 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CN(C)C1 ZINC000095865312 HD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CN(CC2CC2)C1 ZINC000095865350 HD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CN(CC2CC2)C1 ZINC000095865351 HD Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095866190 HD Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095866192 HD Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866193 HD Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095866194 HD Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866195 HD Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866196 HD Annotated Anodyne COCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095866231 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095866232 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095866233 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095866234 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCCC3)cc1)[C@@H]2CO ZINC000095866235 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095866263 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@H]2C1 ZINC000095866264 HD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCCC4)cc3)[C@@H]2C1 ZINC000095866265 HD Annotated Mild O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095866280 HD Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866281 HD Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866368 HD Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095866369 HD Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095866370 HD Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095866371 HD Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866394 HD Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095866395 HD Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866396 HD Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866397 HD Annotated Anodyne O=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]2N1C(=O)C1CCCC1 ZINC000095866660 HD Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cnccn4)C[C@@H]23)cc1 ZINC000095866735 HD Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cnccn4)C[C@H]23)cc1 ZINC000095866736 HD Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cnccn4)C[C@@H]23)cc1 ZINC000095866737 HD Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cnccn4)C[C@H]23)cc1 ZINC000095866738 HD Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cnccn4)C[C@@H]23)cc1 ZINC000095866739 HD Annotated Mild O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CCOCC1 ZINC000095866758 HD Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4cnccn4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866776 HD Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cnccn4)C[C@@H]23)cc1 ZINC000095866777 HD Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4cnccn4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866778 HD Annotated Mild C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)C2CC2)[C@@H](C(=O)NC2CCC2)[C@@H]1CO ZINC000095866851 HD Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CCOCC1 ZINC000095866962 HD Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@H]2N1C(=O)C1CCCC1 ZINC000095866991 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(C(=O)NC(C)C)C1 ZINC000095867465 HD Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)CN[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095867680 HD Annotated Anodyne CCS(=O)(=O)N1CCC2(CC1)CN[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095867681 HD Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(C)=O)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868542 HD Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(C)=O)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868543 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CN(C(C)=O)C1 ZINC000095868590 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CN(C(C)=O)C1 ZINC000095868591 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1cnccn1)CC31CN(C)C1 ZINC000095868633 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1cnccn1)CC31CN(C)C1 ZINC000095868634 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccn1)CC31CN(C)C1 ZINC000095868663 HD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Cc1ccccn1)CC31CN(C)C1 ZINC000095868664 HD Annotated Anodyne O=C(O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCCC1 ZINC000095869175 HD Annotated Anodyne O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)C1CCC1 ZINC000095869253 HD Annotated Bother CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2ccc(C(=O)N(C)C)cc2)[C@@H]1C#N ZINC000095869269 HD Annotated Mild O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 ZINC000095869272 HD Annotated Anodyne CCCNC(=O)NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1 ZINC000095869274 HD Annotated Bother O=C(NC1CCCC1)[C@H]1N[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095869280 HD Annotated Anodyne O=C(NC1CCCC1)[C@@H]1N[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095869321 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095869330 HD Annotated Mild CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095869371 HD Annotated Mild O=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 ZINC000095869401 HD Annotated Anodyne CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccc(C(=O)N(C)C)cc2)[C@@H]1CO ZINC000095869411 HD Annotated Mild O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](CO)O1 ZINC000095869429 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095869431 HD Annotated Anodyne O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)C1CCCC1 ZINC000095869445 HD Annotated Bother O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2C(=O)C1CCCC1 ZINC000095869463 HD Annotated Anodyne CN(C)CC(=O)N1[C@@H](C#N)[C@H](c2ccccc2-c2ccc(C(=O)N(C)C)cc2)[C@@H]1CO ZINC000095869478 HD Annotated Mild CC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCC1 ZINC000095869497 HD Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 ZINC000095869499 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095869561 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095869562 HD Annotated Anodyne O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095869582 HD Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095869583 HD Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095871329 HD Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095871330 HD Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095871331 HD Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095871332 HD Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095871333 HD Annotated Mild O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095871334 HD Annotated Mild CN(C)CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095871362 HD Annotated Anodyne CN(C)CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095871363 HD Annotated Anodyne CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 ZINC000095871408 HD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@H]2C1 ZINC000095871409 HD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 ZINC000095871442 HD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(C(=O)N(C)C)c3)cc1)[C@@H]2CO ZINC000095871443 HD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(C(=O)N(C)C)c3)cc1)[C@@H]2CO ZINC000095871444 HD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 ZINC000095871445 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095871576 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095871614 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO ZINC000095871615 HD Annotated Anodyne CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@H]2C1 ZINC000095871616 HD Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1cccc(F)c1)C2 ZINC000095871664 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)NCc1ccccc1Cl ZINC000095871701 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)NCc1ccccc1Cl ZINC000095871731 HD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CCC)[C@H]2CNC(=O)CN2CCOCC2)cc1 ZINC000095871841 HD Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095872049 HD Annotated Anodyne O=C(C1CCOCC1)N1[C@H](CO)[C@H](c2ccccc2)C12CN(Cc1cncnc1)C2 ZINC000095872065 HD Annotated Anodyne COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4cncnc4)C[C@H]23)cc1 ZINC000095874257 HD Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4cncnc4)C[C@@H]23)cc1 ZINC000095874258 HD Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(Cc4cncnc4)C[C@@H]23)cc1 ZINC000095874259 HD Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(Cc4cncnc4)C[C@@H]23)cc1 ZINC000095874260 HD Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4cncnc4)C[C@@H]23)cc1 ZINC000095874261 HD Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(Cc4cncnc4)CCCCN3[C@H]2CO)cc1 ZINC000095874262 HD Annotated Mild COCC#Cc1ccc([C@H]2[C@H]3CN(Cc4cncnc4)CCCCN3[C@H]2CO)cc1 ZINC000095874263 HD Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4cncnc4)C[C@H]23)cc1 ZINC000095874264 HD Annotated Mild COCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095874273 HD Annotated Mild COCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095874274 HD Annotated Mild COCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095874275 HD Annotated Mild COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095874276 HD Annotated Mild COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095874277 HD Annotated Mild COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095874278 HD Annotated Mild COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095874279 HD Annotated Mild COCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095874280 HD Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC(C)(C)O)cc1)[C@@H]2CO ZINC000095874373 HD Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC(C)(C)O)cc3)[C@@H]2C1 ZINC000095874374 HD Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC(C)(C)O)cc3)[C@H]2C1 ZINC000095874375 HD Annotated Mild CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC(C)(C)O)cc3)[C@@H]2C1 ZINC000095874376 HD Annotated Mild CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC(C)(C)O)cc3)[C@H]2C1 ZINC000095874377 HD Annotated Mild CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC(C)(C)O)cc3)[C@@H]2C1 ZINC000095874378 HD Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095875006 HD Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095875007 HD Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095875008 HD Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095875009 HD Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095875010 HD Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095875011 HD Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095875012 HD Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095875013 HD Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095875014 HD Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095875015 HD Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095875016 HD Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095875017 HD Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095875018 HD Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095875019 HD Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095875020 HD Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095875021 HD Annotated Mild CN(C)CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095875523 HD Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875584 HD Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095875585 HD Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095875586 HD Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095875587 HD Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875588 HD Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875589 HD Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095875590 HD Annotated Anodyne CS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095875591 HD Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 ZINC000095878501 HD Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095878502 HD Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO ZINC000095878503 HD Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095878504 HD Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@H]1CO ZINC000095878844 HD Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@@H]1CO ZINC000095878845 HD Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@H]1CO ZINC000095878846 HD Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@@H]1CO ZINC000095878847 HD Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1 ZINC000095878921 HD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)CC1CC1 ZINC000095878922 HD Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1C(=O)C1CC1 ZINC000095878937 HD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1C(=O)C1CC1 ZINC000095878938 HD Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCC1 ZINC000095878942 HD Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NC1CCC1)[C@@H]2CO ZINC000095878943 HD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)C1CCC1 ZINC000095878948 HD Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)C1CCC1 ZINC000095878949 HD Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2C(=O)C1CCC1 ZINC000095878978 HD Annotated Anodyne O=C(O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1 ZINC000095878979 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCOCC3)[C@H]2N1CC1CC1 ZINC000095879040 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCOCC3)[C@@H]2N1CC1CC1 ZINC000095879041 HD Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CC1)c1ccccc1 ZINC000095879059 HD Annotated Anodyne C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CC1)c1ccccc1 ZINC000095879060 HD Annotated Anodyne C[C@@H](NC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1)c1ccccc1 ZINC000095879061 HD Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1C(=O)C1CC1 ZINC000095879066 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1C(=O)C1CC1 ZINC000095879067 HD Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 ZINC000095879074 HD Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@@H]2[C@@H](CO)[C@H](C(=O)NC4CCC4)[C@H]3N2C)c1 ZINC000095879086 HD Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)NC4CCC4)[C@@H]3N2C)c1 ZINC000095879087 HD Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)NC4CCC4)N[C@@H]32)c1 ZINC000095879090 HD Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@@H]3N[C@@H](C(=O)NC3CCC3)[C@@H]2CO)c1 ZINC000095879091 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1CC1CCOCC1 ZINC000095879507 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1CC1CCOCC1 ZINC000095879508 HD Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@@H]2N1CC ZINC000095879539 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@H]2N1CC ZINC000095879540 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1C(C)=O ZINC000095879555 HD Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1C(C)=O ZINC000095879556 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CC1 ZINC000095879581 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 ZINC000095879582 HD Annotated Anodyne CCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@@H]21 ZINC000095879588 HD Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4OC)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095879589 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC ZINC000095879590 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]1N2CC ZINC000095879591 HD Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095879620 HD Annotated Anodyne CCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]21 ZINC000095879621 HD Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]2N1CCC ZINC000095879715 HD Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]2N1CCC ZINC000095879716 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095879820 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095879821 HD Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)CC ZINC000095879887 HD Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)CC ZINC000095879888 HD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1C(C)=O ZINC000095880024 HD Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1C(C)=O ZINC000095880025 HD Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCC1 ZINC000095880050 HD Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCC1)[C@@H]2CO ZINC000095880051 HD Annotated Anodyne CN(C)CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1C ZINC000095880065 HD Annotated Anodyne CN(C)CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1C ZINC000095880066 HD Annotated Anodyne COCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2C ZINC000095880071 HD Annotated Anodyne COCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C ZINC000095880072 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC(F)(F)F)[C@H]2N1C(C)=O ZINC000095880083 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC(F)(F)F)[C@@H]2N1C(C)=O ZINC000095880084 HD Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NCCOC)[C@@H]2CO ZINC000095880116 HD Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCOC ZINC000095880117 HD Annotated Anodyne CCC(=O)N1[C@@H]2c3cccc(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000095880133 HD Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)NCc1ccc(F)cc1)[C@@H]2CO ZINC000095880134 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)N(CC3CCOCC3)[C@@H]21 ZINC000095880137 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC2CCOCC2)[C@@H](C(=O)N(C)C)[C@@H]1CO ZINC000095880138 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1C(=O)c1ccccc1 ZINC000095880139 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1C(=O)c1ccccc1 ZINC000095880140 HD Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccncc2)c3=O)[C@@H]1CO ZINC000095880148 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1C(=O)C1CC1 ZINC000095880149 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1C(=O)C1CC1 ZINC000095880150 HD Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)OC ZINC000095880239 HD Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2CO ZINC000095880240 HD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2C(C)=O ZINC000095880269 HD Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(C)=O ZINC000095880270 HD Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccc(OC)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095880296 HD Annotated Anodyne CCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@@H]21 ZINC000095880297 HD Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095880330 HD Annotated Anodyne CCC(=O)N1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095880331 HD Annotated Anodyne CC(=O)N1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 ZINC000095880334 HD Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095880335 HD Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@@H]3N(C)[C@@H](C(=O)NCC3CC3)[C@@H]2CO)c1 ZINC000095880353 HD Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)NCC4CC4)N(C)[C@@H]32)c1 ZINC000095880354 HD Annotated Anodyne O=C([C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccc(F)cc2)c3=O)[C@@H]1CO)N1CCCCC1 ZINC000095880368 HD Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2)N1CCCCC1 ZINC000095880369 HD Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)NC4CCCC4)N[C@@H]32)c1 ZINC000095880403 HD Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@@H]3N[C@@H](C(=O)NC3CCCC3)[C@@H]2CO)c1 ZINC000095880404 HD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(C)=O ZINC000095880413 HD Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(C)=O ZINC000095880414 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(C)=O ZINC000095880423 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2C(C)=O ZINC000095880424 HD Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2cccc(F)c2)c3=O)[C@@H]1CO ZINC000095880568 HD Annotated Anodyne O=C(NC1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2 ZINC000095880569 HD Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1C(=O)C1CC1 ZINC000095880570 HD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1C(=O)C1CC1 ZINC000095880571 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(C)=O ZINC000095880621 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(C)=O ZINC000095880622 HD Annotated Anodyne O=C([C@H]1N[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]2[C@@H]1CO)N1CCCCC1 ZINC000095880627 HD Annotated Anodyne O=C([C@@H]1N[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@H]1CO)N1CCCCC1 ZINC000095880628 HD Annotated Anodyne CCC(=O)N1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]21 ZINC000095880629 HD Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095880630 HD Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095880641 HD Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095880642 HD Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCCC1)[C@@H]2CO ZINC000095880655 HD Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCCC1 ZINC000095880656 HD Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2N[C@@H]3[C@@H](C(=O)N3CCCCC3)[C@@H]2CO)c1 ZINC000095880683 HD Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@@H]2N[C@H]3[C@H](C(=O)N3CCCCC3)[C@H]2CO)c1 ZINC000095880684 HD Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 ZINC000095880685 HD Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NCC1CC1)[C@@H]2CO ZINC000095880686 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccc(F)cc3)[C@@H]2N1C ZINC000095880710 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCc3ccc(F)cc3)[C@H]2N1C ZINC000095880711 HD Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N(C)C ZINC000095880728 HD Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N(C)C)[C@@H]2CO ZINC000095880729 HD Annotated Anodyne CCC(=O)N1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21 ZINC000095880732 HD Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095880733 HD Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]1[C@@H](C(=O)NCC1CC1)[C@@H]2CO ZINC000095880791 HD Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 ZINC000095880792 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccc(F)cc3)N(C)[C@@H]21 ZINC000095880851 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C)[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]1CO ZINC000095880852 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 ZINC000095880863 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)C1CC1 ZINC000095880864 HD Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1CC1 ZINC000095880940 HD Annotated Anodyne CC(=O)N1[C@H](C(=O)NCC2CC2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095880941 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCc3ccccc3)[C@H]2N1C ZINC000095880942 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCc3ccccc3)[C@@H]2N1C ZINC000095880943 HD Annotated Anodyne CN1[C@H](C(=O)NCC2CC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 ZINC000095880948 HD Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1CC1 ZINC000095880949 HD Annotated Anodyne O=C([C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F)N1CCCCC1 ZINC000095881033 HD Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CCC(F)(F)F)N1CCCCC1 ZINC000095881034 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]2N1C(C)=O ZINC000095881049 HD Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]2N1C(C)=O ZINC000095881050 HD Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(cccc3=O)[C@H]1[C@@H](C(=O)N1CCc3ccccc3C1)[C@@H]2CO ZINC000095881067 HD Annotated Anodyne CCC(=O)N1[C@@H]2c3cccc(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCc2ccccc2C1 ZINC000095881068 HD Annotated Anodyne CCN1[C@@H]2c3ccc(-c4cccc(OC)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N(C)C ZINC000095881182 HD Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@H]1[C@@H](C(=O)N(C)C)[C@@H]2CO ZINC000095881183 HD Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)N4CCCCC4)N[C@@H]32)c1 ZINC000095881201 HD Annotated Anodyne COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@@H]3N[C@@H](C(=O)N3CCCCC3)[C@@H]2CO)c1 ZINC000095881202 HD Annotated Anodyne CN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCC1 ZINC000095881248 HD Annotated Anodyne CN1[C@H](C(=O)NC2CCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21 ZINC000095881249 HD Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1Cc1cncnc1 ZINC000095881254 HD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1Cc1cncnc1 ZINC000095881255 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2C(C)=O ZINC000095881296 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(C)=O ZINC000095881297 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N[C@@H](C(=O)N2CCc3ccccc3C2)[C@@H]1CO ZINC000095881386 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCc4ccccc4C3)N[C@@H]21 ZINC000095881387 HD Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095881392 HD Annotated Anodyne CC(=O)N1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]21 ZINC000095881393 HD Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)N(C)C)[C@@H]2CO ZINC000095881394 HD Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N(C)C ZINC000095881395 HD Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCCOC)[C@@H]2CO ZINC000095881443 HD Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCOC ZINC000095881444 HD Annotated Anodyne CC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N(C)C ZINC000095881549 HD Annotated Anodyne CC(=O)N1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N(C)C)[C@@H]2CO ZINC000095881550 HD Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCC1 ZINC000095881594 HD Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCC1)[C@@H]2CO ZINC000095881595 HD Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095881610 HD Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2CC1CC1 ZINC000095881611 HD Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)CC ZINC000095881683 HD Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC ZINC000095881684 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC(F)(F)F)[C@@H](C(=O)N(C)C)[C@@H]1CO ZINC000095881693 HD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)N(CCC(F)(F)F)[C@@H]21 ZINC000095881694 HD Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)c1ccccn1)N1CCCCC1 ZINC000095881705 HD Annotated Anodyne O=C([C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccn1)N1CCCCC1 ZINC000095881706 HD Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)C1CC1 ZINC000095881732 HD Annotated Anodyne CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)C1CC1 ZINC000095881733 HD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1C(=O)CC1CC1 ZINC000095881803 HD Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1C(=O)CC1CC1 ZINC000095881804 HD Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2cncnc2)c3=O)[C@@H]1CO ZINC000095881819 HD Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]1N2 ZINC000095881820 HD Annotated Anodyne CCC(=O)N1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2CO ZINC000095884612 HD Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)OC ZINC000095884613 HD Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3CC3CCCCC3)O2)CC1 ZINC000095885480 HD Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3CC3CCCCC3)O2)CC1 ZINC000095885481 HD Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3CC3CCCCC3)O2)CC1 ZINC000095885482 HD Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3CC3CCCCC3)O2)CC1 ZINC000095885483 HD Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H]3[C@@H](COC[C@H](O)CN3CC3CCCCC3)O2)CC1 ZINC000095885484 HD Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H]3[C@@H](COC[C@@H](O)CN3CC3CCCCC3)O2)CC1 ZINC000095885485 HD Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCC1 ZINC000095885913 HD Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCC1 ZINC000095885914 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCC1 ZINC000095885915 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCC1 ZINC000095885916 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCC1 ZINC000095885917 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCC1 ZINC000095885918 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCC1 ZINC000095885919 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Cc2ccccc2)O1)NC1CCC1 ZINC000095885920 HD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095886169 HD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095886170 HD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095886171 HD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095886172 HD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095886173 HD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095886174 HD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095886175 HD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2c(C)noc2C)O1 ZINC000095886176 HD Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccccc3Cl)CC[C@@H]21 ZINC000095886356 HD Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@H]2O[C@H](CC(=O)NCc3ccccc3Cl)CC[C@@H]21 ZINC000095886357 HD Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)NCc3ccccc3Cl)CC[C@H]21 ZINC000095886358 HD Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3ccccc3Cl)CC[C@H]21 ZINC000095886359 HD Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@H]2O[C@@H](CC(=O)NCc3ccccc3Cl)CC[C@@H]21 ZINC000095886360 HD Annotated Anodyne CCC(=O)N1C[C@H](O)COC[C@@H]2O[C@H](CC(=O)NCc3ccccc3Cl)CC[C@H]21 ZINC000095886361 HD Annotated Anodyne CCC(=O)N1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)NCc3ccccc3Cl)CC[C@@H]21 ZINC000095886362 HD Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095886384 HD Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095886385 HD Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095886386 HD Annotated Anodyne CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095886387 HD Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095886388 HD Annotated Anodyne CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095886389 HD Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095886390 HD Annotated Anodyne CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(OC)c2)O1 ZINC000095886391 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095886444 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095886445 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095886446 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095886447 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095886448 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095886449 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095886450 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 ZINC000095886451 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2)O1)N1CCOCC1 ZINC000095886657 HD Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2)O1)N1CCOCC1 ZINC000095886658 HD Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2)O1)N1CCOCC1 ZINC000095886659 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2)O1)N1CCOCC1 ZINC000095886660 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2)O1)N1CCOCC1 ZINC000095886661 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2)O1)N1CCOCC1 ZINC000095886662 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2)O1)N1CCOCC1 ZINC000095886663 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2)O1)N1CCOCC1 ZINC000095886664 HD Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095886809 HD Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095886810 HD Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095886811 HD Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095886812 HD Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095886813 HD Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095886814 HD Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095886815 HD Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccccc2OC)O1 ZINC000095886816 HD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccc(F)cc2)O1 ZINC000095887072 HD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccc(F)cc2)O1 ZINC000095887073 HD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccc(F)cc2)O1 ZINC000095887074 HD Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccc(F)cc2)O1 ZINC000095887075 HD Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccc(F)cc2)O1 ZINC000095887076 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)NC1CCC1 ZINC000095887557 HD Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)NC1CCC1 ZINC000095887559 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2F)O1)NC1CCC1 ZINC000095887561 HD Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2F)O1)NC1CCC1 ZINC000095887562 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)NC1CCC1 ZINC000095887564 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1)NC1CCC1 ZINC000095887566 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2F)O1)NC1CCC1 ZINC000095887568 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2F)O1)NC1CCC1 ZINC000095887570 HD Annotated Anodyne COc1cccc(NC(=O)N2C[C@@H](O)COC[C@H]3O[C@H](CC(=O)N(C)C)CC[C@@H]32)c1 ZINC000095887619 HD Annotated Anodyne COc1cccc(NC(=O)N2C[C@H](O)COC[C@@H]3O[C@H](CC(=O)N(C)C)CC[C@H]32)c1 ZINC000095887621 HD Annotated Anodyne COc1cccc(NC(=O)N2C[C@@H](O)COC[C@@H]3O[C@H](CC(=O)N(C)C)CC[C@H]32)c1 ZINC000095887622 HD Annotated Anodyne COc1cccc(NC(=O)N2C[C@@H](O)COC[C@@H]3O[C@@H](CC(=O)N(C)C)CC[C@H]32)c1 ZINC000095887624 HD Annotated Anodyne COc1cccc(NC(=O)N2C[C@H](O)COC[C@H]3O[C@H](CC(=O)N(C)C)CC[C@@H]32)c1 ZINC000095887625 HD Annotated Anodyne COc1cccc(NC(=O)N2C[C@@H](O)COC[C@H]3O[C@@H](CC(=O)N(C)C)CC[C@@H]32)c1 ZINC000095887626 HD Annotated Anodyne COc1cccc(NC(=O)N2C[C@H](O)COC[C@H]3O[C@@H](CC(=O)N(C)C)CC[C@@H]32)c1 ZINC000095887627 HD Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCC2)O1 ZINC000095887628 HD Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCC2)O1 ZINC000095887629 HD Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCC2)O1 ZINC000095887630 HD Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCC2)O1 ZINC000095887631 HD Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCC2)O1 ZINC000095887632 HD Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCC2)O1 ZINC000095887633 HD Annotated Anodyne CN(C)CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCC2)O1 ZINC000095887634 HD Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095888035 HD Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095888036 HD Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095888037 HD Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095888038 HD Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095888039 HD Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095888040 HD Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 ZINC000095888041 HD Annotated Anodyne CC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 ZINC000095888042 HD Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095888066 HD Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095888067 HD Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095888068 HD Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095888069 HD Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095888070 HD Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095888071 HD Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095888072 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)OC)O[C@@H]1CO2 ZINC000095889238 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)OC)O[C@@H]1CO2 ZINC000095889239 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)OC)O[C@@H]1CO2 ZINC000095889240 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)OC)O[C@H]1CO2 ZINC000095889241 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)OC)O[C@H]1CO2 ZINC000095889242 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)OC)O[C@H]1CO2 ZINC000095889243 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)OC)O[C@H]1CO2 ZINC000095889244 HD Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NS(C)(=O)=O)cc3C(=O)N2C)O1 ZINC000095889249 HD Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095889373 HD Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095889374 HD Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095889375 HD Annotated Anodyne COCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095889376 HD Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095889377 HD Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095889378 HD Annotated Anodyne COCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(C)=O)cc3C(=O)N2C)O1 ZINC000095889379 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095891580 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095891581 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095891582 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095891583 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095891584 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095891585 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095891586 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095891587 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095891588 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095891589 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095891590 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095891591 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095891592 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095891593 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095891594 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000095891595 HD Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC)O[C@@H]1CO2 ZINC000095891646 HD Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC)O[C@H]1CO2 ZINC000095891647 HD Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NC)O[C@@H]1CO2 ZINC000095891648 HD Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC)O[C@@H]1CO2 ZINC000095891649 HD Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC)O[C@@H]1CO2 ZINC000095891650 HD Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NC)O[C@H]1CO2 ZINC000095891651 HD Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC)O[C@H]1CO2 ZINC000095891652 HD Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NC)O[C@H]1CO2 ZINC000095891653 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891661 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891662 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891663 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891664 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891665 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891666 HD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891667 HD Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891668 HD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095892532 HD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095892533 HD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095892534 HD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095892535 HD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095892536 HD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095892537 HD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095892538 HD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CC4)cc3C(=O)N2C)O1 ZINC000095892539 HD Annotated Anodyne O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095893780 HD Annotated Anodyne O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095893781 HD Annotated Anodyne O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095893782 HD Annotated Anodyne O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095893783 HD Annotated Anodyne O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 ZINC000095893784 HD Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 ZINC000095893785 HD Annotated Anodyne O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 ZINC000095893786 HD Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 ZINC000095893787 HD Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)CN1CCOCC1 ZINC000095893889 HD Annotated Anodyne O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)CN1CCOCC1 ZINC000095893891 HD Annotated Anodyne O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894111 HD Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)CN1CCOCC1 ZINC000095894164 HD Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095894315 HD Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095894316 HD Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095894317 HD Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095894318 HD Annotated Anodyne CN(C)CC(=O)N1[C@@H](C#N)[C@H](c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2)[C@@H]1CO ZINC000095897569 HD Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2)[C@@H]1C#N ZINC000095897570 HD Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@@H](c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2)[C@@H]1CO ZINC000095897571 HD Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2)[C@@H]1CO ZINC000095897572 HD Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2)[C@@H]1CO ZINC000095897573 HD Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2)[C@H]1CO ZINC000095897574 HD Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2)[C@H]1CO ZINC000095897575 HD Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccc(C(=O)N(C)C)c3)cc2)[C@@H]1C#N ZINC000095897576 HD Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)[C@H]1CO ZINC000095897759 HD Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)[C@@H]1CO ZINC000095897760 HD Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)[C@@H]1CO ZINC000095897761 HD Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)[C@@H]1C#N ZINC000095897762 HD Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)[C@@H]1CO ZINC000095897763 HD Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N(S(C)(=O)=O)[C@H]3CO)cc2)cc1 ZINC000095898296 HD Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(S(C)(=O)=O)[C@H]3CO)cc2)cc1 ZINC000095898297 HD Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N(S(C)(=O)=O)[C@H]3C#N)cc2)cc1 ZINC000095898298 HD Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H](C#N)N(S(C)(=O)=O)[C@H]3CO)cc2)cc1 ZINC000095898299 HD Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N(S(C)(=O)=O)[C@@H]3CO)cc2)cc1 ZINC000095898300 HD Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](C#N)N(S(C)(=O)=O)[C@H]3CO)cc2)cc1 ZINC000095898301 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898540 HD Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898541 HD Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898542 HD Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898543 HD Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898544 HD Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898545 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898546 HD Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898547 HD Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898548 HD Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898549 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898550 HD Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898551 HD Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2 ZINC000095898552 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898553 HD Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2 ZINC000095898554 HD Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898555 HD Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898556 HD Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898557 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898558 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898559 HD Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898560 HD Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898561 HD Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898562 HD Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898563 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898564 HD Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898565 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898566 HD Annotated Mild CO[C@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@@H]1O2 ZINC000095898567 HD Annotated Mild CO[C@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898568 HD Annotated Mild CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)N(C)C(=O)c3cc(C#N)ccc3OC[C@H]1O2 ZINC000095898569 HD Annotated Mild CO[C@@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898570 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898571 HD Annotated Mild CO[C@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898572 HD Annotated Mild CO[C@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898573 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898574 HD Annotated Mild CO[C@@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898575 HD Annotated Mild CO[C@@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898576 HD Annotated Mild CO[C@@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898577 HD Annotated Mild CO[C@H]1CC[C@H]2CCOc3ccc(C#N)cc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898578 HD Annotated Mild CO[C@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898579 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3ccc(C#N)cc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898580 HD Annotated Mild CO[C@@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898653 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898654 HD Annotated Mild CO[C@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898655 HD Annotated Mild CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898656 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898657 HD Annotated Mild CO[C@@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898658 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898659 HD Annotated Mild CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@@H]1O2 ZINC000095898660 HD Annotated Mild CO[C@@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898661 HD Annotated Mild CO[C@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898662 HD Annotated Mild CO[C@H]1CC[C@@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898663 HD Annotated Mild CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898664 HD Annotated Mild CO[C@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898665 HD Annotated Mild CO[C@@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@H]1O2 ZINC000095898666 HD Annotated Mild CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900049 HD Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900050 HD Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900051 HD Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900052 HD Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900053 HD Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900054 HD Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CN(C)C)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900055 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095900105 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095900106 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095900107 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095900108 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900109 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095900110 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900111 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095900112 HD Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900323 HD Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900324 HD Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900325 HD Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900326 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@H]1O2 ZINC000095900327 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCC3CC3)O[C@H](CO)[C@@H]1O2 ZINC000095900328 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@H]1O2 ZINC000095900329 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCC3CC3)O[C@H](CO)[C@@H]1O2 ZINC000095900330 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900331 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900332 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCC3CC3)O[C@H](CO)[C@H]1O2 ZINC000095900333 HD Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900558 HD Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900559 HD Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900560 HD Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900561 HD Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900562 HD Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@H]1O2 ZINC000095900623 HD Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCC3CC3)O[C@H](CO)[C@@H]1O2 ZINC000095900624 HD Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@H]1O2 ZINC000095900625 HD Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCC3CC3)O[C@H](CO)[C@@H]1O2 ZINC000095900626 HD Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCC3CC3)O[C@H](CO)[C@H]1O2 ZINC000095900627 HD Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900628 HD Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900629 HD Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCC3CC3)O[C@H](CO)[C@H]1O2 ZINC000095900630 HD Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900706 HD Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900707 HD Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900708 HD Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900709 HD Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900710 HD Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900711 HD Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900712 HD Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900713 HD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900940 HD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900941 HD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900942 HD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900943 HD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900944 HD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900945 HD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900946 HD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900947 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095901167 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095901168 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095901169 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095901170 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095901171 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@H]1O2 ZINC000095901172 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095901173 HD Annotated Anodyne COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCC3)O[C@H](CO)[C@H]1O2 ZINC000095901174 HD Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901390 HD Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901391 HD Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901392 HD Annotated Anodyne COCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901393 HD Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901394 HD Annotated Anodyne COCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901395 HD Annotated Anodyne COCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901396 HD Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCCN3CCCCC3)O[C@@H](CO)[C@H]1O2 ZINC000095901812 HD Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCCN3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095901813 HD Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCCN3CCCCC3)O[C@H](CO)[C@@H]1O2 ZINC000095901814 HD Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCCN3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095901815 HD Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCCN3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095901816 HD Annotated Clean COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902123 HD Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095902124 HD Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902125 HD Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095902126 HD Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095902127 HD Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095902128 HD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902129 HD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095902130 HD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095902131 HD Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095902132 HD Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095902133 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCCC1 ZINC000095903262 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCCC1 ZINC000095903263 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCCC1 ZINC000095903264 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCCC1 ZINC000095903266 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCCC1 ZINC000095903268 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCCC1 ZINC000095903270 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCCC1 ZINC000095903271 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCCC1 ZINC000095903272 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095903289 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095903290 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095903291 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095903292 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095903293 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095903294 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095903295 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)C3CCCC3)O[C@H]2CO)cc1 ZINC000095903353 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)C3CCCC3)O[C@H]2CO)cc1 ZINC000095903354 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)C3CCCC3)O[C@@H]2CO)cc1 ZINC000095903356 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)C3CCCC3)O[C@@H]2CO)cc1 ZINC000095903357 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)C3CCCC3)O[C@H]2CO)cc1 ZINC000095903358 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)C3CCCC3)O[C@@H]2CO)cc1 ZINC000095903359 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)C3CCCC3)O[C@H]2CO)cc1 ZINC000095903361 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)C3CCCC3)O[C@@H]2CO)cc1 ZINC000095903363 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCCC1 ZINC000095903373 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCCC1 ZINC000095903374 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCCC1 ZINC000095903376 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCCC1 ZINC000095903377 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCCC1 ZINC000095903379 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCCC1 ZINC000095903381 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCCC1 ZINC000095903382 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903594 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903595 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903596 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903598 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903600 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903601 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@H](CO)O1)c1cnccn1 ZINC000095903826 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2ccccc2F)[C@@H](CO)O1)c1cnccn1 ZINC000095903827 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2ccccc2F)[C@@H](CO)O1)c1cnccn1 ZINC000095903828 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1)c1cnccn1 ZINC000095903829 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1)c1cnccn1 ZINC000095903830 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@H](CO)O1)c1cnccn1 ZINC000095903831 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1)c1cnccn1 ZINC000095903832 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1)c1cnccn1 ZINC000095903833 HD Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903838 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCC1 ZINC000095903855 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCC1 ZINC000095903856 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCC1 ZINC000095903857 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCC1 ZINC000095903858 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCC1 ZINC000095903859 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCC1 ZINC000095903860 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCC1 ZINC000095903861 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCC1 ZINC000095903862 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1 ZINC000095903911 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1 ZINC000095903912 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1 ZINC000095903913 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1 ZINC000095903914 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1 ZINC000095903915 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1 ZINC000095903916 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1 ZINC000095903918 HD Annotated Anodyne Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1 ZINC000095903920 HD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1 ZINC000095903974 HD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](CO)O1 ZINC000095903975 HD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 ZINC000095903976 HD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1 ZINC000095903977 HD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 ZINC000095903978 HD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](CO)O1 ZINC000095903979 HD Annotated Anodyne O=C(Cc1ccncc1)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 ZINC000095903980 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)C3CCC3)O[C@H]2CO)cc1 ZINC000095903997 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)C3CCC3)O[C@H]2CO)cc1 ZINC000095903999 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)C3CCC3)O[C@@H]2CO)cc1 ZINC000095904000 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)C3CCC3)O[C@H]2CO)cc1 ZINC000095904001 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)C3CCC3)O[C@@H]2CO)cc1 ZINC000095904002 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)C3CCC3)O[C@@H]2CO)cc1 ZINC000095904004 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)C3CCC3)O[C@H]2CO)cc1 ZINC000095904006 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)C3CCC3)O[C@@H]2CO)cc1 ZINC000095904008 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CC3)[C@H](CO)O2)nn1 ZINC000095904089 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)C3CC3)[C@@H](CO)O2)nn1 ZINC000095904092 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CC3)[C@H](CO)O2)nn1 ZINC000095904094 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CC3)[C@@H](CO)O2)nn1 ZINC000095904095 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CC3)[C@H](CO)O2)nn1 ZINC000095904096 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CC3)[C@@H](CO)O2)nn1 ZINC000095904097 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)C3CC3)[C@H](CO)O2)nn1 ZINC000095904099 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CC3)[C@@H](CO)O2)nn1 ZINC000095904100 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(C4CC4)nn3)O[C@H]2CO)cc1 ZINC000095904171 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCn3cc(C4CC4)nn3)O[C@@H]2CO)cc1 ZINC000095904172 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCn3cc(C4CC4)nn3)O[C@H]2CO)cc1 ZINC000095904173 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCn3cc(C4CC4)nn3)O[C@@H]2CO)cc1 ZINC000095904174 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCn3cc(C4CC4)nn3)O[C@H]2CO)cc1 ZINC000095904175 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCn3cc(C4CC4)nn3)O[C@@H]2CO)cc1 ZINC000095904176 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCn3cc(C4CC4)nn3)O[C@H]2CO)cc1 ZINC000095904177 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(C4CC4)nn3)O[C@@H]2CO)cc1 ZINC000095904178 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095904698 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095904699 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095904700 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095904701 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095904702 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095904703 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095904704 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095904705 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095904720 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095904721 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095904722 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095904771 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095904772 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095904773 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095904774 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095904775 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095904776 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095904777 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095904778 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095904831 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095904832 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095904833 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095904834 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095904835 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095904836 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1ccccn1 ZINC000095904837 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1ccccn1 ZINC000095904838 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095904926 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095904927 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095904928 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095904929 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095904930 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095904931 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccncc1 ZINC000095904932 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccncc1 ZINC000095904933 HD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095904965 HD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095904966 HD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095904967 HD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095904968 HD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095904969 HD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095904970 HD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1 ZINC000095904971 HD Annotated Anodyne O=C(CCN1CCCCC1)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1 ZINC000095904972 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095904995 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095904996 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095904997 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095904998 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095904999 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095905000 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1 ZINC000095905001 HD Annotated Anodyne O=C(Cc1ccccn1)NCC[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1 ZINC000095905002 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905019 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905020 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905021 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905022 HD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905023 HD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905024 HD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccccn2)[C@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905025 HD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccccn2)[C@@H](CO)O1)NCc1cc(F)cc(F)c1 ZINC000095905026 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CCC1 ZINC000095905129 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CCC1 ZINC000095905130 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CCC1 ZINC000095905131 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CCC1 ZINC000095905132 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CCC1 ZINC000095905133 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CCC1 ZINC000095905134 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO)C1CCC1 ZINC000095905135 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO)C1CCC1 ZINC000095905136 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905324 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905325 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905326 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905327 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905328 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905329 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905330 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905331 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905332 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905333 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905334 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905335 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905336 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905337 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905338 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905339 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(C(C)C)nn3)O[C@H]2CO)cc1 ZINC000095905359 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCn3cc(C(C)C)nn3)O[C@@H]2CO)cc1 ZINC000095905360 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCn3cc(C(C)C)nn3)O[C@H]2CO)cc1 ZINC000095905361 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCn3cc(C(C)C)nn3)O[C@@H]2CO)cc1 ZINC000095905363 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCn3cc(C(C)C)nn3)O[C@H]2CO)cc1 ZINC000095905364 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCn3cc(C(C)C)nn3)O[C@@H]2CO)cc1 ZINC000095905365 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCn3cc(C(C)C)nn3)O[C@H]2CO)cc1 ZINC000095905366 HD Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCn3cc(C(C)C)nn3)O[C@@H]2CO)cc1 ZINC000095905367 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905431 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905432 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905433 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905434 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905435 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905436 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905437 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905438 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905439 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905440 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905441 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905442 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905443 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095905444 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905445 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccccc1 ZINC000095905446 HD Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)[C@H](CO)O2)nn1 ZINC000095905463 HD Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccc(F)cc3)[C@H](CO)O2)nn1 ZINC000095905464 HD Annotated Anodyne COCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)[C@@H](CO)O2)nn1 ZINC000095905465 HD Annotated Anodyne COCc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccc(F)cc3)[C@@H](CO)O2)nn1 ZINC000095905466 HD Annotated Anodyne COCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)[C@H](CO)O2)nn1 ZINC000095905467 HD Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccc(F)cc3)[C@@H](CO)O2)nn1 ZINC000095905468 HD Annotated Anodyne COCc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccc(F)cc3)[C@H](CO)O2)nn1 ZINC000095905469 HD Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)[C@@H](CO)O2)nn1 ZINC000095905470 HD Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095905503 HD Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095905504 HD Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095905505 HD Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095905506 HD Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095905507 HD Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095905508 HD Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO ZINC000095905509 HD Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO ZINC000095905510 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905555 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905556 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905557 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905558 HD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905559 HD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905560 HD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905561 HD Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000095905562 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2cnccn2)[C@H](CO)O1)Nc1ccc(F)cc1 ZINC000095905774 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)c2cnccn2)[C@@H](CO)O1)Nc1ccc(F)cc1 ZINC000095905775 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](CO)O1)Nc1ccc(F)cc1 ZINC000095905776 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2cnccn2)[C@@H](CO)O1)Nc1ccc(F)cc1 ZINC000095905777 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)c2cnccn2)[C@H](CO)O1)Nc1ccc(F)cc1 ZINC000095905778 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)c2cnccn2)[C@H](CO)O1)Nc1ccc(F)cc1 ZINC000095905779 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)c2cnccn2)[C@@H](CO)O1)Nc1ccc(F)cc1 ZINC000095905780 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@@H](NC(=O)NC(C)C)[C@H](CO)O2)cc1 ZINC000095906002 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)NC(C)C)[C@@H](CO)O2)cc1 ZINC000095906003 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)NC(C)C)[C@H](CO)O2)cc1 ZINC000095906004 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@@H](NC(=O)NC(C)C)[C@@H](CO)O2)cc1 ZINC000095906005 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@H](NC(=O)NC(C)C)[C@@H](CO)O2)cc1 ZINC000095906006 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@@H](NC(=O)NC(C)C)[C@H](CO)O2)cc1 ZINC000095906007 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@H]2CC[C@H](NC(=O)NC(C)C)[C@H](CO)O2)cc1 ZINC000095906008 HD Annotated Anodyne Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@@H](NC(=O)NC(C)C)[C@@H](CO)O2)cc1 ZINC000095906009 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095906018 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095906019 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095906020 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095906021 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095906022 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095906023 HD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095906024 HD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095906025 HD Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)CC1 ZINC000095906417 HD Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)CC1 ZINC000095906418 HD Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)CC1 ZINC000095906419 HD Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)CC1 ZINC000095906420 HD Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)CC1 ZINC000095906421 HD Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)CC1 ZINC000095906422 HD Annotated Anodyne CN1CCN(C(=O)C[C@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)CC1 ZINC000095906423 HD Annotated Anodyne CN1CCN(C(=O)C[C@@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)CC1 ZINC000095906424 HD Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)Nc2ccc(Cl)cc2)O[C@H]1CO ZINC000095906425 HD Annotated Anodyne CN(C)CC(=O)N[C@H]1CC[C@H](CCNC(=O)Nc2ccc(Cl)cc2)O[C@H]1CO ZINC000095906426 HD Annotated Anodyne CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)Nc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095906427 HD Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1 ZINC000095906444 HD Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1 ZINC000095906445 HD Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1 ZINC000095906446 HD Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1 ZINC000095906447 HD Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1 ZINC000095906448 HD Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1 ZINC000095906449 HD Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1 ZINC000095906450 HD Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1 ZINC000095906451 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095906504 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095906505 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095906506 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095906507 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095906508 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095906509 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1)NCCc1ccccc1 ZINC000095906510 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1)NCCc1ccccc1 ZINC000095906511 HD Annotated Anodyne O=C(CC1CC1)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO ZINC000095906657 HD Annotated Anodyne O=C(CC1CC1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO ZINC000095906658 HD Annotated Anodyne O=C(CC1CC1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO ZINC000095906659 HD Annotated Anodyne O=C(CC1CC1)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO ZINC000095906660 HD Annotated Anodyne O=C(CC1CC1)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO ZINC000095906661 HD Annotated Anodyne O=C(CC1CC1)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO ZINC000095906662 HD Annotated Anodyne O=C(CC1CC1)N[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@H]1CO ZINC000095906663 HD Annotated Anodyne O=C(CC1CC1)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2ccc(F)cc2)O[C@@H]1CO ZINC000095906664 HD Annotated Anodyne CCS(=O)(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095906762 HD Annotated Anodyne CCS(=O)(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095906763 HD Annotated Anodyne CCS(=O)(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095906764 HD Annotated Anodyne CCS(=O)(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095906765 HD Annotated Anodyne COc1ccc(-c2cn(CC[C@@H]3CC[C@@H](NC(=O)NC(C)C)[C@H](CO)O3)nn2)cc1 ZINC000095906908 HD Annotated Anodyne COc1ccc(-c2cn(CC[C@H]3CC[C@H](NC(=O)NC(C)C)[C@@H](CO)O3)nn2)cc1 ZINC000095906909 HD Annotated Anodyne COc1ccc(-c2cn(CC[C@@H]3CC[C@H](NC(=O)NC(C)C)[C@@H](CO)O3)nn2)cc1 ZINC000095906910 HD Annotated Anodyne COc1ccc(-c2cn(CC[C@@H]3CC[C@H](NC(=O)NC(C)C)[C@H](CO)O3)nn2)cc1 ZINC000095906911 HD Annotated Anodyne COc1ccc(-c2cn(CC[C@H]3CC[C@@H](NC(=O)NC(C)C)[C@@H](CO)O3)nn2)cc1 ZINC000095906912 HD Annotated Anodyne COc1ccc(-c2cn(CC[C@H]3CC[C@@H](NC(=O)NC(C)C)[C@H](CO)O3)nn2)cc1 ZINC000095906913 HD Annotated Anodyne COc1ccc(-c2cn(CC[C@H]3CC[C@H](NC(=O)NC(C)C)[C@H](CO)O3)nn2)cc1 ZINC000095906914 HD Annotated Anodyne COc1ccc(-c2cn(CC[C@@H]3CC[C@@H](NC(=O)NC(C)C)[C@@H](CO)O3)nn2)cc1 ZINC000095906915 HD Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)nn1 ZINC000095906923 HD Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)nn1 ZINC000095906924 HD Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)nn1 ZINC000095906925 HD Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)nn1 ZINC000095906926 HD Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)nn1 ZINC000095906927 HD Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)nn1 ZINC000095906928 HD Annotated Anodyne CN(C)Cc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)nn1 ZINC000095906929 HD Annotated Anodyne CN(C)Cc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)nn1 ZINC000095906930 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095906982 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095906983 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095906984 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095906985 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095906986 HD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095906987 HD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)NC2CCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095906988 HD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)NC2CCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095906989 HD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)[C@H](CO)O2)nn1 ZINC000095907220 HD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccccc3)[C@H](CO)O2)nn1 ZINC000095907221 HD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)[C@@H](CO)O2)nn1 ZINC000095907222 HD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)[C@@H](CO)O2)nn1 ZINC000095907223 HD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)[C@H](CO)O2)nn1 ZINC000095907224 HD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccccc3)[C@@H](CO)O2)nn1 ZINC000095907225 HD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccccc3)[C@H](CO)O2)nn1 ZINC000095907226 HD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)[C@@H](CO)O2)nn1 ZINC000095907227 HD Annotated Anodyne COc1cccc(CNC(=O)C[C@@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@H](CO)O2)c1 ZINC000095907334 HD Annotated Anodyne COc1cccc(CNC(=O)C[C@H]2CC[C@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)c1 ZINC000095907335 HD Annotated Anodyne COc1cccc(CNC(=O)C[C@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@H](CO)O2)c1 ZINC000095907336 HD Annotated Anodyne COc1cccc(CNC(=O)C[C@@H]2CC[C@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)c1 ZINC000095907337 HD Annotated Anodyne COc1cccc(CNC(=O)C[C@@H]2CC[C@H](NC(=O)C3CCOCC3)[C@H](CO)O2)c1 ZINC000095907338 HD Annotated Anodyne COc1cccc(CNC(=O)C[C@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)c1 ZINC000095907339 HD Annotated Anodyne COc1cccc(CNC(=O)C[C@H]2CC[C@H](NC(=O)C3CCOCC3)[C@H](CO)O2)c1 ZINC000095907340 HD Annotated Anodyne COc1cccc(CNC(=O)C[C@@H]2CC[C@@H](NC(=O)C3CCOCC3)[C@@H](CO)O2)c1 ZINC000095907341 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)NC(C)C)[C@H](CO)O2)nn1 ZINC000095907476 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)NC(C)C)[C@H](CO)O2)nn1 ZINC000095907477 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)NC(C)C)[C@@H](CO)O2)nn1 ZINC000095907478 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)NC(C)C)[C@H](CO)O2)nn1 ZINC000095907479 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)NC(C)C)[C@@H](CO)O2)nn1 ZINC000095907480 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)NC(C)C)[C@@H](CO)O2)nn1 ZINC000095907481 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)NC(C)C)[C@H](CO)O2)nn1 ZINC000095907482 HD Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)NC(C)C)[C@@H](CO)O2)nn1 ZINC000095907483 HD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)CCN3CCCCC3)[C@H](CO)O2)nn1 ZINC000095907774 HD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)CCN3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095907775 HD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)CCN3CCCCC3)[C@H](CO)O2)nn1 ZINC000095907776 HD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)CCN3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095907777 HD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)CCN3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095907778 HD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)CCN3CCCCC3)[C@H](CO)O2)nn1 ZINC000095907779 HD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)CCN3CCCCC3)[C@@H](CO)O2)nn1 ZINC000095907780 HD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2cccc(F)c2)O[C@H]1CO ZINC000095908082 HD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CCNS(=O)(=O)c2cccc(F)c2)O[C@@H]1CO ZINC000095908083 HD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CCNS(=O)(=O)c2cccc(F)c2)O[C@@H]1CO ZINC000095908084 HD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CCNS(=O)(=O)c2cccc(F)c2)O[C@H]1CO ZINC000095908085 HD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CCNS(=O)(=O)c2cccc(F)c2)O[C@H]1CO ZINC000095908086 HD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CCNS(=O)(=O)c2cccc(F)c2)O[C@@H]1CO ZINC000095908087 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095908247 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095908248 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095908249 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095908250 HD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095908251 HD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095908252 HD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095908253 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@@H](CO)O1)c1ccccc1 ZINC000095908254 HD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)Cc2ccccn2)[C@H](CO)O1)c1ccccc1 ZINC000095908255 HD Annotated Anodyne CON1C(=O)[C@]2(c3ccccc31)[C@@H]1C[C@H]3[C@@H](CO1)[C@H]1[C@@H]2[C@]3([C@@H](C)OC(C)=O)CN1C ZINC000095908918 HD Annotated Anodyne in-vitro biogenic C/C=C1\CN2CC[C@@]34c5ccccc5N[C@@]23[C@@H](O)C[C@@H]1[C@]4(COC(C)=O)C(=O)OC ZINC000095909252 HD Annotated Anodyne in-vitro biogenic COC[C@H]1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 ZINC000095909332 HD Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](OC(C)=O)OC[C@]234)[C@@H]1O ZINC000095909717 HD Annotated Mild in-vitro biogenic CC(=O)O[C@H]1[C@@H]2OC(=O)[C@@H]3c4ccoc4C[C@H]([C@H]32)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@@]12O ZINC000095909948 HD Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CCC(C)(C)[C@@]2(O)[C@@H](O)[C@@H]3OC(=O)[C@@H]4c5ccoc5C[C@H]([C@H]43)[C@@]12C ZINC000095909958 HD Annotated Anodyne in-vitro biogenic C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC=C2C1=CC(=O)OC1 ZINC000095910377 HD Annotated Anodyne C/C=C1\[C@@H]2[C@H]3[C@H](O)ON2[C@H]2C[C@@H]1[C@@H](C(=O)OC)[C@]31C2=Nc2cc(OC)c(OC)cc21 ZINC000095910739 HD Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23[C@H]4[C@H](C[C@H]1[C@H]2O)OC(C)(C)O[C@H]1CCC(C)(C)[C@H]2[C@H](O)[C@@]3(O)OC[C@]142 ZINC000095911188 HD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@@]1(O)C[C@H](OC(C)=O)[C@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O ZINC000095911189 HD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@@H](OC(C)=O)C[C@@H]2OC3=O ZINC000095911196 HD Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1[C@@]2(CO2)[C@H]2CC[C@H]3[C@]45CO[C@H](CC4=O)C(C)(C)[C@H]5[C@H](O)C(=O)[C@@]13C2 ZINC000095911375 HD Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@@H]3OC(=O)[C@@H]4C(C)(C)CC[C@@H]5OC(=O)[C@@](C2)([C@@H]3[C@]54C=O)[C@@H]1OC(C)=O ZINC000095911659 HD Annotated Mild in-vitro biogenic C=C[C@@]1(C)[C@H](C(=C)CO)[C@H]2OC(=O)C(=C)[C@@H]2C[C@H]1OC(=O)C(=C)[C@@H](O)COC(C)=O ZINC000095911948 HD Annotated Mild in-vitro biogenic COC(=O)[C@H]1[C@H](C)OC[C@H]2[C@@H]3N(C(C)=O)c4c(O)cccc4[C@@]34CCN(C)[C@@H]4C[C@H]21 ZINC000095912040 HD Annotated Anodyne in-vitro biogenic CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@](C)([C@H](O)Cc3ccoc3)[C@H]1[C@@H](O)CC[C@]21CO1 ZINC000095912061 HD Annotated Anodyne in-vitro biogenic COC(=O)[C@]12CC[C@@]3(C1)[C@@H](O)CCN1CC[C@@]4(c5cccc(OC)c5N[C@@]24O)[C@@H]13 ZINC000095912647 HD Annotated Anodyne in-vitro biogenic CC(=O)O[C@@]1(C)C(=O)[C@H]2OC(=O)[C@@]3(C)CCC[C@@H]([C@@H]23)[C@]12CC[C@]1(CO[C@H](O)C1)O2 ZINC000095912771 HD Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)OC[C@]32[C@@H](O)CCC(C)(C)[C@H]2C=O)[C@H]1OC(C)=O ZINC000095913366 HD Annotated Mild in-vitro biogenic CO[C@H]1C[C@]2(CC[C@]3(O2)[C@]24CCC[C@H](C(=O)OC2)[C@@H]4[C@H](OC(C)=O)C[C@@]32CO2)CO1 ZINC000095913553 HD Annotated Anodyne in-vitro biogenic CC[C@@H]1CN(CC[C@]2(O)C(=O)Nc3ccccc32)C(=O)C[C@@H]1/C(=C\OC)C(=O)OC ZINC000095914122 HD Annotated Anodyne in-vitro biogenic COc1ccc2c(c1OC)[C@]13CC(=O)[C@@H](OC)[C@]4(OC)O[C@H]2C[C@]14N(C)C(=O)C3 ZINC000095914151 HD Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CCC(C)(C)[C@@H](C=O)[C@@]12COC(=O)[C@@]13C[C@@H](C[C@H](O)[C@H]12)[C@@H](C)C3=O ZINC000095914755 HD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@@H]2OC3=O ZINC000095914928 HD Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](O)OC[C@]234)[C@@H]1OC(C)=O ZINC000095915124 HD Annotated Mild in-vitro biogenic C/C1=C\C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/[C@H]2CC(=O)[C@@H](C)[C@@H]2CC1 ZINC000095918695 HD Annotated Anodyne in-vitro biogenic CC(=O)OC[C@@]12[C@@H](O)C(=O)[C@H](C)[C@](C)(CCc3ccoc3)[C@@]1(O)CC[C@H](O)[C@]21CO1 ZINC000095919017 HD Annotated Anodyne in-vitro biogenic CC(=O)OC[C@@]12[C@@H](O)C[C@]3(C)O[C@@]4(c5ccoc5)C[C@]3(C)[C@]1(CCC(=O)[C@]21CO1)O4 ZINC000095919018 HD Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@@H]2[C@]3(C[C@H](O)c4ccoc4)C(=O)OC[C@]2([C@H](O)C[C@H]3C)[C@@]12CO2 ZINC000095919020 HD Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CC[C@H](OC(C)=O)[C@@]2(C)CO[C@H](O)[C@H]21)COC3=O ZINC000095919105 HD Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@@H]3OC(C)(C)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)[C@@]6(O)OC[C@@]45[C@H]3[C@@]6(C2)[C@@H]1O ZINC000095919401 HD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@H]4O[C@H]5O[C@]2(O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]52[C@@H]3[C@@H](OC(C)=O)C[C@@H]14 ZINC000095919432 HD Annotated Mild in-vitro biogenic COC[C@H]1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C(=O)[C@@H]3O ZINC000095919447 HD Annotated Anodyne in-vitro biogenic Nc1ccc(C#CC#Cc2ccc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)NO)cc2)cc1 ZINC000095920730 HD Annotated Mild COC(=O)COC(=O)NC12CCC(CC1)[C@H]1C(=O)N(c3ccc(N)cc3)C(=O)[C@H]12 ZINC000095921302 HD Annotated Clean CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccc(F)cc1 ZINC000095921414 HD Annotated Anodyne O=S1(=O)C[C@@H](N2CCCCC2)CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020563 HD Annotated Anodyne O=S1(=O)C[C@H](N2CCCCC2)CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096020564 HD Annotated Anodyne O=S1(=O)C[C@@H](N2CCCCC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1 ZINC000096020789 HD Annotated Anodyne O=S1(=O)C[C@H](N2CCCCC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1 ZINC000096020790 HD Annotated Anodyne Cc1cc(C)cc(Cn2cc(CN3C[C@H](N4CCCCC4)CS3(=O)=O)nn2)c1 ZINC000096020795 HD Annotated Anodyne Cc1cc(C)cc(Cn2cc(CN3C[C@@H](N4CCCCC4)CS3(=O)=O)nn2)c1 ZINC000096020796 HD Annotated Anodyne COc1ccc(Cn2cc(CN3C[C@H](N4CCCCC4)CS3(=O)=O)nn2)cc1 ZINC000096020797 HD Annotated Anodyne COc1ccc(Cn2cc(CN3C[C@@H](N4CCCCC4)CS3(=O)=O)nn2)cc1 ZINC000096020798 HD Annotated Anodyne Cc1cc(C)cc(Cn2cc(CN3C[C@H](N4CCSCC4)CS3(=O)=O)nn2)c1 ZINC000096020843 HD Annotated Anodyne Cc1cc(C)cc(Cn2cc(CN3C[C@@H](N4CCSCC4)CS3(=O)=O)nn2)c1 ZINC000096020844 HD Annotated Anodyne Cc1ccc(Cn2cc(CN3C[C@H](N4CCSCC4)CS3(=O)=O)nn2)cc1 ZINC000096020847 HD Annotated Anodyne Cc1ccc(Cn2cc(CN3C[C@@H](N4CCSCC4)CS3(=O)=O)nn2)cc1 ZINC000096020848 HD Annotated Anodyne O=S1(=O)C[C@@H](N2CCSCC2)CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096020849 HD Annotated Anodyne O=S1(=O)C[C@H](N2CCSCC2)CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096020850 HD Annotated Anodyne CCN(C)[C@@H]1CN(Cc2cn(Cc3cccc(C(F)(F)F)c3)nn2)S(=O)(=O)C1 ZINC000096020988 HD Annotated Anodyne CCN(C)[C@H]1CN(Cc2cn(Cc3cccc(C(F)(F)F)c3)nn2)S(=O)(=O)C1 ZINC000096020989 HD Annotated Anodyne CN(C)[C@@H]1CN(Cc2cn(Cc3cccc(C(F)(F)F)c3)nn2)S(=O)(=O)C1 ZINC000096021010 HD Annotated Anodyne CN(C)[C@H]1CN(Cc2cn(Cc3cccc(C(F)(F)F)c3)nn2)S(=O)(=O)C1 ZINC000096021011 HD Annotated Anodyne CN(C)[C@@H]1CN(Cc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)C1 ZINC000096021012 HD Annotated Anodyne CN(C)[C@H]1CN(Cc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)C1 ZINC000096021013 HD Annotated Anodyne Cc1ccc(CN2C[C@H](N3CCN(C4CCN(C)CC4)CC3)CS2(=O)=O)cc1 ZINC000096021038 HD Annotated Anodyne Cc1ccc(CN2C[C@@H](N3CCN(C4CCN(C)CC4)CC3)CS2(=O)=O)cc1 ZINC000096021039 HD Annotated Anodyne CN1CCC(N2CCN([C@@H]3CN(Cc4ccc(F)cc4)S(=O)(=O)C3)CC2)CC1 ZINC000096021094 HD Annotated Anodyne CN1CCC(N2CCN([C@H]3CN(Cc4ccc(F)cc4)S(=O)(=O)C3)CC2)CC1 ZINC000096021095 HD Annotated Anodyne O=C(Nc1c(F)c(F)c(F)c(F)c1F)OC[C@@H]1CSCCS(=O)(=O)N1 ZINC000096021273 HD Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C(=O)[C@H](O)[C@@H](C)[C@]23CC[C@]2(CO[C@H](O)C2)O3)C1(C)C ZINC000096085916 HD Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C(=O)[C@H](O)[C@@H](C)[C@]23CC[C@]2(CO[C@@H](O)C2)O3)C1(C)C ZINC000096085917 HD Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2C[C@H](NS(=O)(=O)c3ccccc3)[C@H]1C2 ZINC000096095703 HD Annotated Anodyne COc1ccc(Cc2nc3c(N4CCN(S(C)(=O)=O)CC4)cccn3n2)cc1 ZINC000096169559 HD Annotated Anodyne COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3cccnc3C)CC(=O)NC1=O)C2 ZINC000096173790 HD Annotated Mild COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(C)nc3)CC(=O)NC1=O)C2 ZINC000096173791 HD Annotated Mild COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3c(F)cccc3F)C2)nc(C)c1F ZINC000096173852 HD Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3cc(F)ccc3F)C2)nc(C)c1F ZINC000096173856 HD Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccccc3F)C2)nc(C)c1F ZINC000096173857 HD Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccccc3F)C2)nc(C)c1Cl ZINC000096173858 HD Annotated Anodyne CCOc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccccc3)C2)nc(OC)c1F ZINC000096173863 HD Annotated Anodyne COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3)C2)nc(OC)c1F ZINC000096173866 HD Annotated Anodyne CCc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3)C2)nc(OC)c1F ZINC000096173869 HD Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CC4)nc3C2)CO[C@@H]1c1cc(F)ccc1F ZINC000096177967 HD Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C4CC4)nc3C2)CO[C@H]1c1cc(F)ccc1F ZINC000096177968 HD Annotated Anodyne CS(=O)(=O)Nc1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccc(C#N)cc32)c1 ZINC000096282693 HD Annotated Mild COc1ccc(-c2csc(-c3nc4c(=O)n(C)c(=O)nc-4n(C)n3)c2)cc1OC ZINC000096282728 HD Annotated Anodyne C/C=C1\C(=O)N(CC(=O)O)C(=O)N(Cc2ccc(NC(=O)CN)cc2)[C@H]1C(C)C ZINC000096283437 HD Annotated Anodyne C/C=C1\C(=O)N(CC(=O)O)C(=O)N(Cc2ccc(NC(=O)CN)cc2)[C@@H]1C(C)C ZINC000096283438 HD Annotated Anodyne CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccc3ccc(F)cc3n2)c1=O ZINC000096284186 HD Annotated Mild N#Cc1ccc(CCN2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)cc1 ZINC000096286278 HD Annotated Mild CN(C)CCC(=O)NC1=C[C@H]2C(=O)c3cc(NC(=O)CCN(C)C)ccc3N=C2C=C1 ZINC000096315952 HD Annotated Anodyne CN(C)CCC(=O)NC1=C[C@@H]2C(=O)c3cc(NC(=O)CCN(C)C)ccc3N=C2C=C1 ZINC000096315953 HD Annotated Anodyne O=C1CN(Cc2cn(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)nn2)CCN1 ZINC000096449026 HD Annotated Anodyne CC(C)[C@H](N)C(=O)OC[C@@H]1S[C@H](CC=O)S[C@@H]1COC(=O)[C@@H](N)C(C)C ZINC000096888307 HD Annotated Mild O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000096900176 HD Annotated Reactive CC(=O)Oc1cc2c(cc1OC(C)=O)[C@@H]1[C@H](O)[C@@H](OC(C)=O)C=C3CCN(C2)[C@H]31 ZINC000096901081 HD Annotated Anodyne CCCCCCCCC/C=C/C(=O)N[C@H]1C[C@@]2(O)C(=O)[C@H]([C@H](OC)[C@@H]3O[C@@H]32)[C@H]1O ZINC000096902247 HD Annotated Mild COC(=O)c1c2ccoc3c-2c2c1C(=O)[C@]1(O)C[C@@]4(O)N(C[C@@H](CC3)[C@@]24C)C[C@H]1C ZINC000096903059 HD Annotated Anodyne COc1c([C@]2(O)COc3cc(O)cc(O)c3C2=O)ccc2c1C=C[C@@](C)(CO)O2 ZINC000096903100 HD Annotated Anodyne COC[C@H]1[C@@H]2C(=O)C[C@@H]3[C@@]([C@H](O)C[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]43C)([C@@H]2O)[C@@H]1O ZINC000096903137 HD Annotated Anodyne CC(C)[C@]1(O)[C@H](Cl)[C@@H]2O[C@@]23[C@@]2(C)CCC4=C(COC4=O)[C@@H]2C[C@@H]2O[C@@]23[C@]12CO2 ZINC000096903606 HD Annotated Reactive CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CC[C@@H](C(=O)c3csc(CN(C)C)n3)[C@@H]21 ZINC000096904372 HD Annotated Anodyne Cn1ncc2c1[C@H]1Cc3n[nH]cc3[C@@H]2N1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000096906472 HD Annotated Anodyne CCCC(=O)Oc1ccc(CCNc2nc(N)c3nc(-n4nccn4)n(C)c3n2)cc1 ZINC000096907702 HD Annotated Anodyne CCOC(=O)c1cn(C[C@H](O)Cn2cncn2)c2cc(C(F)(F)F)ccc2c1=O ZINC000096908847 HD Annotated Anodyne CCOC(=O)c1cn(C[C@@H](O)Cn2cncn2)c2cc(C(F)(F)F)ccc2c1=O ZINC000096908848 HD Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000096908920 HD Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000096908921 HD Annotated Anodyne N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000096908926 HD Annotated Reactive N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000096908927 HD Annotated Reactive CC1(C)OC(=O)c2c1ccn(-c1ccc(S(=O)(=O)Nc3ncccn3)cc1)c2=O ZINC000096909500 HD Annotated Anodyne COCCn1c(=O)nc(-c2cnc(N3CCN(C)CC3)nc2)c2oc3ccccc3c21 ZINC000096909981 HD Annotated Anodyne COC(=S)NC[C@H]1CN(c2cc(F)c(N3CCNOCC3)c(F)c2)C(=O)O1 ZINC000096910068 HD Annotated Anodyne O=C(O)CCN1Cc2ccc(NC(=O)c3cccc(N4CCNCC4)c3)cc2C1=O ZINC000096911151 HD Annotated Anodyne O=C1c2[nH]nc(NS(=O)(=O)c3cccc(Cl)c3)c2CCN1CC1CCNCC1 ZINC000096916174 HD Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)Nc2n[nH]c3c2CCN(CC2CCNCC2)C3=O)c1 ZINC000096916175 HD Annotated Anodyne C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@@H]1O[C@@]4([C@H](OCc5ccccc5)C(=O)O[C@@]34C)[C@H]2C1=O ZINC000096921441 HD Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@@H](O)O[C@@]13[C@H](OCc1ccccc1)C(=O)O[C@@]23C ZINC000096921641 HD Annotated Mild O=C(O)CNC(=O)c1ccc(NC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000096921915 HD Annotated Mild COc1ccc(-c2nnc(N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)o2)cc1 ZINC000096923037 HD Annotated Anodyne CC(C)[C@H]1NC(=O)[C@@H](C[C@]2(O)C(=O)Nc3ccccc32)n2c1nc1ccccc1c2=O ZINC000096923254 HD Annotated Anodyne CC(C)[C@@H]1NC(=O)[C@@H](C[C@]2(O)C(=O)Nc3ccccc32)n2c1nc1ccccc1c2=O ZINC000096923255 HD Annotated Anodyne C[C@@H]1CCN2C(=O)c3c(O)c(=O)c(C(=O)NCc4ccc(F)cc4F)cn3C[C@@H]2O1 ZINC000096923819 HD Annotated Anodyne C[C@H]1CCN2C(=O)c3c(O)c(=O)c(C(=O)NCc4ccc(F)cc4F)cn3C[C@H]2O1 ZINC000096923820 HD Annotated Anodyne C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N2C1 ZINC000096927628 HD Annotated Anodyne CC[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 ZINC000096927635 HD Annotated Anodyne CC[C@@H]1CO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21 ZINC000096927636 HD Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)O[C@H]1O[C@H](CO)[C@@H](O)C1(F)F ZINC000096928034 HD Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F ZINC000096928048 HD Annotated Anodyne COC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F ZINC000096928049 HD Annotated Anodyne C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3OC(C)=O ZINC000096928466 HD Annotated Mild CC(C)NC(=O)c1nn(-c2ccc(OC[C@H](O)CF)cc2)c(=O)c2c(N)scc12 ZINC000096929712 HD Annotated Anodyne CC(C)NC(=O)c1nn(-c2ccc(OC[C@@H](O)CF)cc2)c(=O)c2c(N)scc12 ZINC000096929713 HD Annotated Anodyne O=C1NC(=S)N=C(O)/C1=C/NNC(=S)Nc1ccc(Br)cc1 ZINC000096930163 HD Annotated Clean COc1cc2cc([C@@H]3SC(NC(C)=O)=NN3C(C)=O)c3nnnn3c2cc1OC ZINC000096931771 HD Annotated Anodyne COc1cc2cc([C@H]3SC(NC(C)=O)=NN3C(C)=O)c3nnnn3c2cc1OC ZINC000096931772 HD Annotated Anodyne NCCNCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4 ZINC000096932823 HD Annotated Bother COCCNc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2 ZINC000096934198 HD Annotated Anodyne Cn1c(=O)n(CCOC(=O)CNC(=O)c2ccc(Cl)cc2)c(=O)c2ccccc21 ZINC000096934412 HD Annotated Anodyne COC(=O)c1nnn([C@@H]2COC3=C(Cl)C(=O)C(=O)c4cccc2c43)c1C(=O)OC ZINC000096934566 HD Annotated Mild COC(=O)c1nnn([C@H]2COC3=C(Cl)C(=O)C(=O)c4cccc2c43)c1C(=O)OC ZINC000096934567 HD Annotated Mild CCOC(=O)c1cn([C@@H]2COC3=C(Br)C(=O)C(=O)c4cccc2c43)nn1 ZINC000096934590 HD Annotated Mild CCOC(=O)c1cn([C@H]2COC3=C(Br)C(=O)C(=O)c4cccc2c43)nn1 ZINC000096934591 HD Annotated Mild COC(=O)c1cn([C@@H]2COC3=C(Br)C(=O)C(=O)c4cccc2c43)nn1 ZINC000096934592 HD Annotated Mild COC(=O)c1cn([C@H]2COC3=C(Br)C(=O)C(=O)c4cccc2c43)nn1 ZINC000096934593 HD Annotated Mild CC(=S)NC[C@H]1CN(c2ccc(N3CCON(C(N)=O)CC3)c(F)c2)C(=O)O1 ZINC000096937692 HD Annotated Anodyne O=CN1CCN(c2c(F)cc(N3C[C@H](CNc4ccon4)OC3=O)cc2F)CCN1 ZINC000096937703 HD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCON(C(C)=O)CC3)c(F)c2)C(=O)O1 ZINC000096937704 HD Annotated Anodyne CCOC(=O)c1c[nH]nc1S(=O)(=O)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F ZINC000096938693 HD Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N1N=C2CCOC[C@@H]2[C@@]1(O)C(F)(F)F ZINC000096938694 HD Annotated Anodyne O=C1c2ccccc2C(=O)c2c(OCCOCCO)ccc(OCCOCCO)c21 ZINC000096938913 HD Annotated Clean N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3[C@H](O)CCN32)cc1 ZINC000096940476 HD Annotated Anodyne N#Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3C[C@@H](O)CN32)cc1 ZINC000096940501 HD Annotated Mild N#Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3C[C@H](O)CN32)cc1 ZINC000096940503 HD Annotated Mild N#Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3[C@H](O)CCN23)cc1 ZINC000096940506 HD Annotated Mild N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3[C@@H](O)CCN32)cc1 ZINC000096941599 HD Annotated Anodyne N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3C[C@@H](O)CN23)cc1 ZINC000096941604 HD Annotated Anodyne N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3C[C@H](O)CN23)cc1 ZINC000096941607 HD Annotated Anodyne O=[N+]([O-])c1ccc(/C=N/NC(=S)Nn2c(S)nnc2-c2ccncc2)cc1 ZINC000098081966 HD Annotated Mild COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)Cn1nnn(-c2ccc(OC)cc2)c1=O ZINC000098082369 HD Annotated Bother N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=S)c2[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000098083899 HD Annotated Reactive N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=S)c2[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000098083900 HD Annotated Reactive COc1ccc(/C=N/NC(=S)Nn2c(S)nnc2-c2ccncc2)cc1O ZINC000098084120 HD Annotated Mild N=C1NN=C(N)/C1=C\Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 ZINC000098085336 HD Annotated Anodyne O=C(O)CNC(=O)Cn1c2c(c3cc(Br)ccc31)CC[C@@H](C(=O)O)C2 ZINC000098208315 HD Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc21 ZINC000098209568 HD Annotated Anodyne