O=S(=O)(c1ccc(-c2ccon2)s1)N(Cc1ccccn1)Cc1ccccn1 ZINC000001025769 HH Annotated Anodyne CSc1cccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(F)c(F)c3)S2)c1 ZINC000001045175 HH Annotated Mild CSc1cccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(F)c(F)c3)S2)c1 ZINC000001045177 HH Annotated Mild O=C1N=C(O)N(c2ccccc2F)C(=O)[C@]1(CCc1ccncc1)Cc1cccs1 ZINC000001131067 HH Annotated Anodyne O=C1N=C(O)N(c2ccccc2F)C(=O)[C@@]1(CCc1ccncc1)Cc1cccs1 ZINC000001131070 HH Annotated Anodyne CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 ZINC000001163572 HH Annotated Clean CC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000001337265 HH Annotated Anodyne Cc1cc(C)c2nc(SCC(=O)N3CC(=O)Nc4ccccc43)c(C#N)cc2c1 ZINC000001354220 HH Annotated Mild aggregator C#CC(=O)N(c1ccc(OC)c(OC)c1)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001376635 HH Annotated Mild C#CC(=O)N(c1ccc(OC)c(OC)c1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001376636 HH Annotated Mild C#CC(=O)N(c1cc(OC)ccc1OC)[C@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001376639 HH Annotated Mild C#CC(=O)N(c1cc(OC)ccc1OC)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000001376640 HH Annotated Mild CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1O ZINC000001483345 HH Annotated Anodyne CNc1nc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)ccc1C ZINC000001488374 HH Annotated Anodyne COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc(Br)c1O ZINC000001489419 HH Annotated Reactive CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc3nonc3c2)cc1 ZINC000001494209 HH Annotated Anodyne N#C/N=C1\N(CCCCCOc2ccc(Cl)cc2)C(=O)CCN1c1ccncc1 ZINC000100013749 HH Annotated Mild N#C/N=C1\N(CCCCCCOc2ccc(Cl)cc2)C(=O)CN1c1ccncc1 ZINC000100013775 HH Annotated Mild C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000100032370 HH Annotated Anodyne in-vivo O=S1(=O)CCC2=C1[C@H](c1ccc(F)c(Br)c1)C=C(C(F)(F)F)N2 ZINC000100037654 HH Annotated Anodyne O=S1(=O)CCC2=C1[C@@H](c1ccc(F)c(Br)c1)C=C(C(F)(F)F)N2 ZINC000100037657 HH Annotated Anodyne O=C1c2ccccc2CC[C@H]1CNCCc1ccc(O)cc1[125I] ZINC000100057450 HH Annotated Anodyne in-vitro O=C1c2ccccc2CC[C@@H]1CNCCc1ccc(O)cc1[125I] ZINC000100057453 HH Annotated Anodyne in-vitro O=C1c2ccccc2CC[C@@H]1CNCCc1ccc(O)c([125I])c1 ZINC000100057478 HH Annotated Anodyne in-vitro O=C1c2ccccc2CC[C@H]1CNCCc1ccc(O)c([125I])c1 ZINC000100057482 HH Annotated Anodyne in-vitro CCOC(=O)C1=C(c2ccccc2)c2ccc(OCc3ccccn3)cc2/C1=[N+](/C)[O-] ZINC000100072964 HH Annotated Mild C[C@@H]1C/C=C\C[C@@H](c2ccc3c(c2)OCO3)NC(=O)[C@@H](c2ccccc2)CC(=O)N1 ZINC000100085072 HH Annotated Anodyne O=C1C(Nc2ccc(OC(F)(F)F)cc2)=CC(=O)c2[nH]c(-c3ccccn3)nc21 ZINC000100085507 HH Annotated Mild CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2CC(F)(F)F ZINC000100086376 HH Annotated Anodyne C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(OCC)cc1 ZINC000100086786 HH Annotated Reactive C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(OCC)cc1 ZINC000100086790 HH Annotated Reactive CC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2Cc1ccc(F)cc1 ZINC000100087570 HH Annotated Anodyne CC(C)NC(=O)N1[C@H]2CN(CC(F)(F)F)C[C@H]1C2c1ccc(Br)cc1 ZINC000100087604 HH Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@H]2c1ccc(Br)cc1 ZINC000100087607 HH Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@@H]2c1ccc(Br)cc1 ZINC000100087608 HH Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@@H]1C2c1ccc(Br)cc1 ZINC000100087609 HH Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2CC(F)(F)F ZINC000100087949 HH Annotated Anodyne CCCCCC[C@@H](C)C1=C(O)C(=O)[C@@H]2[C@H](O)[C@H](C)C[C@H](O)[C@H]2[C@]1(C)C(=O)/C=C\O ZINC000100088106 HH Annotated Mild in-vitro CC(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2Cc1ccc(F)cc1 ZINC000100088376 HH Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2)cc1 ZINC000100088407 HH Annotated Anodyne O=C(Nc1ccnc(N2C[C@H]3C[C@H]2CN3Cc2cccc(O)c2)c1)c1ccc(F)cc1 ZINC000100088418 HH Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000100092202 HH Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)Cc2ccccc2)cc1 ZINC000100093602 HH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100093681 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100094081 HH Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100094313 HH Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000100095563 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100096096 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000100096099 HH Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3F)cc2)c1 ZINC000100096364 HH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCC5)C[C@@H]3N4)cc2)cc1 ZINC000100099462 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100101304 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100101335 HH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000100101416 HH Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100101437 HH Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000100101624 HH Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100101645 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100101787 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100101789 HH Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCC5)C[C@@H]3N4)cc2)cc1 ZINC000100105122 HH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccnc2)cc1 ZINC000100106103 HH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccnc2)cc1 ZINC000100106109 HH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccncc2)cc1 ZINC000100106235 HH Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]2N3)cc1 ZINC000100106299 HH Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]2N3)cc1 ZINC000100106302 HH Annotated Anodyne O=C(Nc1cc(F)ccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100106337 HH Annotated Anodyne O=S(=O)(Cc1ccccc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100106344 HH Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000100106420 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccc(F)c3)cc2)cc1 ZINC000100106448 HH Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3F)cc2)cc1 ZINC000100106574 HH Annotated Anodyne COc1cc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccncc3)cc2)cc(OC)c1 ZINC000100106708 HH Annotated Anodyne COc1cc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccncc3)cc2)cc(OC)c1 ZINC000100106710 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 ZINC000100106875 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccc(F)cc2)cc1 ZINC000100106880 HH Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccccc3F)cc2)c1 ZINC000100106938 HH Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccccc3F)cc2)c1 ZINC000100106940 HH Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]3N4)cc2)cc1 ZINC000100106960 HH Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]3N4)cc2)cc1 ZINC000100106964 HH Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cccc(F)c2)cc1 ZINC000100107129 HH Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cccc(F)c2)cc1 ZINC000100107132 HH Annotated Anodyne COc1ccc(NC(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccncc3)cc2)cc1 ZINC000100107576 HH Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 ZINC000100108044 HH Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 ZINC000100108047 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 ZINC000100108055 HH Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H]2N3)cc1 ZINC000100108509 HH Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2)cc1 ZINC000100109055 HH Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3F)cc2)c1 ZINC000100114494 HH Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000100130669 HH Annotated Anodyne C/C=C/C=C/[C@H]1C(C)=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@]1(C)/C(O)=C1/C(=O)[C@@H](CO)N(C)C1=O ZINC000100198842 HH Annotated Mild CC1(C)[C@]2(C)CC[C@]1(C(=O)N1NC(=O)[C@@H](c3ccccc3)[C@@H]1c1ccccc1)OC2=O ZINC000100243332 HH Annotated Anodyne CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1NC(=O)[C@@H](c3ccccc3)[C@@H]1c1ccccc1)OC2=O ZINC000100243337 HH Annotated Anodyne CN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)O)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000100263718 HH Annotated Mild CN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000100263721 HH Annotated Mild O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccnc2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000100273349 HH Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccnc2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000100273350 HH Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@H](c2cccnc2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000100273352 HH Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@H](c2cccnc2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000100273354 HH Annotated Anodyne CC1(C)CC(=O)C(C(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)C(=O)C1 ZINC000100293565 HH Annotated Anodyne COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccccn2)c(OC)c1 ZINC000100331849 HH Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccccn2)c(OC)c1 ZINC000100331857 HH Annotated Mild CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@@](C)(O)CC4)nc3cc2Cl)CC1 ZINC000100423307 HH Annotated Anodyne CCN1CCN(c2cc3[nH]c(C(=O)[C@]4(C)CC[C@](C)(O)CC4)nc3cc2Cl)CC1 ZINC000100423317 HH Annotated Anodyne CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3ccccc32)=C(O)[C@@H]1C(C)(C)C ZINC000100425027 HH Annotated Anodyne CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)c1 ZINC000100446283 HH Annotated Mild CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)c1 ZINC000100446287 HH Annotated Mild COc1ccc(OC)c([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000100446356 HH Annotated Mild COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000100446362 HH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 ZINC000100446460 HH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 ZINC000100446463 HH Annotated Mild CCC(CC)C(=O)Nc1c2cnn(-c3ccccc3)c2nc(=O)n1-c1ccccc1 ZINC000100446821 HH Annotated Anodyne CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C)o2)cc1 ZINC000100447123 HH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C)o2)cc1 ZINC000100447128 HH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C)o2)cc1 ZINC000100447132 HH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C)o2)cc1 ZINC000100447139 HH Annotated Mild Cc1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)o1 ZINC000100447156 HH Annotated Mild Cc1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)o1 ZINC000100447161 HH Annotated Mild Cc1ccc([C@@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)o1 ZINC000100447166 HH Annotated Mild Cc1ccc([C@H]2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)o1 ZINC000100447170 HH Annotated Mild CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)c1 ZINC000100447242 HH Annotated Mild CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)c1 ZINC000100447248 HH Annotated Mild COc1ccc(OC)c([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1 ZINC000100455297 HH Annotated Mild COc1ccc(OC)c([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1 ZINC000100455302 HH Annotated Mild COc1ccc(C2=CNN/C2=C2\C=CC(OCc3ccc([N+](=O)[O-])cc3)=CC2=O)cc1 ZINC000100484805 HH Annotated Mild O=C1C([N+](=O)[O-])=CC(Cc2ccccc2)=C/C1=C\Nc1ccc(N2CCOCC2)cc1 ZINC000100496674 HH Annotated Mild O=C(O)C12C[C@H]3C[C@H](C1)CC(n1ncc(NCc4ccccc4)c(Cl)c1=O)(C3)C2 ZINC000100508000 HH Annotated Anodyne O=C(O)C12C[C@@H]3C[C@@H](C1)CC(n1ncc(NCc4ccccc4)c(Cl)c1=O)(C3)C2 ZINC000100508006 HH Annotated Anodyne O=C(/C=C/c1ccco1)NC(=S)NC1=C/C(=C2\Nc3ccccc3S2)C(=O)C=C1 ZINC000100511012 HH Annotated Mild O=C(O)c1cc(-c2ccc(/C=N\N3C(=O)[C@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)o2)ccc1Cl ZINC000100542225 HH Annotated Mild O=C(O)c1cc(-c2ccc(/C=N\N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4CC3)o2)ccc1Cl ZINC000100542232 HH Annotated Mild COC1=CC=C/C(=C2\N=C(N3CCN(c4ccccc4)CC3)c3ccccc3N2)C1=O ZINC000100550157 HH Annotated Mild O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)C1=C/C(=C2/C=CC=CC2=O)NN1 ZINC000100550710 HH Annotated Mild COc1ccc(NC(=O)COC(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)c(OC)c1 ZINC000100555025 HH Annotated Anodyne COc1ccccc1NC(=O)c1c(N/C=C2\C(=O)C=Cc3ccccc32)cnn1C ZINC000100563838 HH Annotated Mild COc1ccccc1NC(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000100564354 HH Annotated Anodyne O=C1C=CC(NC(=O)c2cc(=O)c3ccccc3o2)=C/C1=C1\Nc2ccccc2S1 ZINC000100609250 HH Annotated Mild O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1)N1CCCc2ccccc21 ZINC000100617821 HH Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 ZINC000100620849 HH Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 ZINC000100620854 HH Annotated Anodyne COc1ccc(/C=C/C(O)=C2/C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)c(OC)c1OC ZINC000100622629 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cc(F)c5[nH]ccc5c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632987 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cc(F)c5[nH]ccc5c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632991 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5cc[nH]n5)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632992 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5cc[nH]n5)c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632995 HH Annotated Anodyne COc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100633108 HH Annotated Anodyne COc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100633111 HH Annotated Anodyne Cn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)c2ccccc21 ZINC000100633201 HH Annotated Anodyne Cn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)c2ccccc21 ZINC000100633207 HH Annotated Anodyne COc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100633347 HH Annotated Anodyne COc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100633349 HH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100633361 HH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100633364 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(-n5cccn5)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100633473 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(-n5cccn5)c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100633478 HH Annotated Anodyne CCS(=O)(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4occc34)CC2)CC1 ZINC000100636735 HH Annotated Anodyne CS(=O)(=O)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000100638947 HH Annotated Anodyne O=C(Nc1nnc(C(F)(F)F)s1)[C@H]1C(=O)N2c3ccccc3Cc3cccc1c32 ZINC000100658406 HH Annotated Anodyne O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1C(=O)N2c3ccccc3Cc3cccc1c32 ZINC000100658409 HH Annotated Anodyne CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CCCC3(O)CCCCC3)C[C@H]21 ZINC000100658974 HH Annotated Anodyne C/C=C/C=C/[C@H]1C(C)=C[C@H]2C[C@@H](C)CC[C@H]2[C@@]1(C)/C(O)=C1/C(=O)[C@@H](CO)N(C)C1=O ZINC000100659166 HH Annotated Mild CCOC(=O)[C@@H]1[C@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1ccc([N+](=O)[O-])cc12 ZINC000100665504 HH Annotated Bother CCOC(=O)[C@H]1[C@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1ccc([N+](=O)[O-])cc12 ZINC000100665505 HH Annotated Bother CCOC(=O)[C@@H]1[C@@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1ccc([N+](=O)[O-])cc12 ZINC000100665506 HH Annotated Bother CCOC(=O)[C@H]1[C@@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1ccc([N+](=O)[O-])cc12 ZINC000100665508 HH Annotated Bother C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccc(Br)cc1 ZINC000100703148 HH Annotated Mild C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccc(Br)cc1 ZINC000100703149 HH Annotated Mild Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc2c3ccccc3nc-2c1O ZINC000100705152 HH Annotated Anodyne Cn1c(SCC(=O)N2CCCc3ccccc32)nc2c3ccccc3nc-2c1O ZINC000100705228 HH Annotated Anodyne CCOC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 ZINC000100705718 HH Annotated Anodyne COC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 ZINC000100705916 HH Annotated Anodyne COC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 ZINC000100705918 HH Annotated Anodyne CCOC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000100706006 HH Annotated Bother O=S(=O)(O)c1cccc2c1[C@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100722207 HH Annotated Anodyne O=S(=O)(O)c1cccc2c1[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000100722213 HH Annotated Anodyne COCCOCc1ccc2ccccc2c1/C=C(C)/C=C/C(O)=C1\C(=O)CN(C)C1=O ZINC000100757766 HH Annotated Mild C=CC[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O ZINC000100771364 HH Annotated Mild COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@H]23)c(O)c1 ZINC000100773380 HH Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@H]23)c(O)c1 ZINC000100773384 HH Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@H]23)c(O)c1 ZINC000100773386 HH Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@H]23)c(O)c1 ZINC000100773388 HH Annotated Reactive in-man endogenous COC(=O)[C@]1(OC(C)=O)C[C@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000100779900 HH Annotated Anodyne in-man endogenous COC(=O)[C@@]1(OC(C)=O)C[C@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000100779904 HH Annotated Anodyne in-man endogenous COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000100779906 HH Annotated Anodyne in-man endogenous COC(=O)[C@@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000100779908 HH Annotated Anodyne in-man endogenous COc1ccc(CCCCNCCOc2cc(F)cc3c2OCC/C3=N/O)cc1 ZINC000100806693 HH Annotated Mild C[C@@]12C[C@H](NC(=O)N1c1cccc(C(=O)NCc3ccccn3)c1)c1ccccc1O2 ZINC000100808478 HH Annotated Anodyne C[C@]12C[C@@H](NC(=O)N1c1cccc(C(=O)NCc3ccccn3)c1)c1ccccc1O2 ZINC000100808482 HH Annotated Anodyne CN1[C@@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@@H]1CN(Cc1ccccc1)C2 ZINC000100825594 HH Annotated Anodyne CN1[C@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H]1CN(Cc1ccccc1)C2 ZINC000100825598 HH Annotated Anodyne CN1C(=O)/C(=C(/S)N(C)c2ccccc2)C(=O)c2cc(Br)ccc21 ZINC000100831444 HH Annotated Mild CSc1ccc(N(C)C(=O)c2c(O)c3cc(SC)ccc3n(C)c2=O)cc1 ZINC000100832188 HH Annotated Anodyne CSCCN(C(=O)c1c(O)c2cc(SC)ccc2n(C)c1=O)c1ccccc1 ZINC000100833492 HH Annotated Anodyne CC(C)C[C@H](CNC(=O)CCC(=O)NC12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2)CC(=O)O ZINC000100835724 HH Annotated Anodyne CC(C)C[C@H](CNC(=O)CCC(=O)NC12CC3C[C@](C)(C1)C[C@](C)(C3)C2)CC(=O)O ZINC000100835730 HH Annotated Anodyne CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)O)cc4)[C@]13OO2 ZINC000100860646 HH Annotated Reactive CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)O)cc4)[C@@]13OO2 ZINC000100860650 HH Annotated Reactive COc1cc([C@H]2C3=C(O)OCC3=Nc3cc4c(cc32)OCCO4)cc(OC)c1OC ZINC000100869350 HH Annotated Anodyne COc1cc([C@@H]2C3=C(O)OCC3=Nc3cc4c(cc32)OCCO4)cc(OC)c1OC ZINC000100869353 HH Annotated Anodyne COc1ccc(Cn2nnnc2C(=O)/C=C(\O)c2c[nH]c3ccc(Cl)cc23)cc1 ZINC000100917220 HH Annotated Mild CC(C)CNC(=O)[C@]1(C)C[C@](C)(C(=O)NCC(C)C)C[C@](C)(C(=O)NCC(C)C)C1 ZINC000100943873 HH Annotated Anodyne CCOCCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100994336 HH Annotated Mild CCOCCO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100994342 HH Annotated Mild CCOCCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100994345 HH Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H]4OCC[C@H]24)[C@]13C(=O)O ZINC000100996639 HH Annotated Mild CC(=O)CNC(=O)[C@@H]1CC[C@@H](c2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000101000710 HH Annotated Anodyne CN1CC[C@H](c2ccc(Cl)cc2)[C@H](C[S@](=O)CCOC(=O)c2ccccc2)C1 ZINC000101022228 HH Annotated Anodyne O=C(Cc1csc(NC(=O)[C@H]2C=CN(c3ccccc3)c3ccccc32)n1)NO ZINC000101023242 HH Annotated Bother O=C(Cc1csc(NC(=O)[C@@H]2C=CN(c3ccccc3)c3ccccc32)n1)NO ZINC000101023244 HH Annotated Bother Cc1ccc(NCC(=O)Nc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000101028664 HH Annotated Anodyne Cc1ccc(NCC(=O)Nc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C ZINC000101028665 HH Annotated Anodyne Cc1ccc(OCCNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000101032150 HH Annotated Anodyne Cc1ccc(OCCNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C ZINC000101032151 HH Annotated Anodyne COC(=O)c1[nH]c(-c2ccc3c(n2)C(=O)C(=N)C=C3O)c2nc3ccccc3c-2c1C ZINC000101033391 HH Annotated Clean C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000101045466 HH Annotated Reactive C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000101045469 HH Annotated Reactive CCCC[C@]12C[C@]1(C(=O)Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(Cl)cc12 ZINC000101054976 HH Annotated Anodyne CCCC[C@@]12C[C@@]1(C(=O)Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(Cl)cc12 ZINC000101054982 HH Annotated Anodyne CN1CCN(c2[nH]ccc3nc(-c4nc(CCc5ccc(Cl)cc5)no4)cc2-3)CC1 ZINC000101055708 HH Annotated Anodyne CCCC[C@]12C[C@]1(C(=O)Nc1ccccc1C(N)=O)C(=O)Nc1ccc(Cl)cc12 ZINC000101059799 HH Annotated Anodyne CCCC[C@@]12C[C@@]1(C(=O)Nc1ccccc1C(N)=O)C(=O)Nc1ccc(Cl)cc12 ZINC000101059801 HH Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2C)cc1C(=O)O ZINC000101070927 HH Annotated Mild COc1cc(C2=C(c3ccc(SC)cc3)C[C@H](O)/C2=N/O)cc(OC)c1OC ZINC000101078541 HH Annotated Mild COc1cc(C2=C(c3ccc(SC)cc3)C[C@@H](O)/C2=N/O)cc(OC)c1OC ZINC000101078543 HH Annotated Mild CN1CCN(c2ccc([C@@H]3C=C(NCCN4CCCC4)c4ccccc4N3)cc2)CC1 ZINC000101079209 HH Annotated Clean CN1CCN(c2ccc([C@H]3C=C(NCCN4CCCC4)c4ccccc4N3)cc2)CC1 ZINC000101079211 HH Annotated Clean COC(=O)c1cc(-c2ccc(CNC3CC(C)(C)N([O])C(C)(C)C3)o2)ccc1O ZINC000101084326 HH Annotated Anodyne O=C1c2cc(Br)c(Br)n2[C@H]2C(Cl)(Cl)[C@@]23CCCN13 ZINC000101090871 HH Annotated Anodyne O=C1c2cc(Br)c(Br)n2[C@@H]2C(Cl)(Cl)[C@]23CCCN13 ZINC000101090875 HH Annotated Anodyne O=S1OC[C@@H]2[C@H](CO1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000101153513 HH Annotated Mild C/N=C1\S[C@@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1/N=C/c1cccs1 ZINC000101167177 HH Annotated Mild CCCOC(=O)[C@H]1[C@@H](C(=O)OCCC(C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 ZINC000101168212 HH Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H](C(=O)OCCC(C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 ZINC000101168217 HH Annotated Anodyne C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCc1nn[nH]n1 ZINC000101171519 HH Annotated Anodyne C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCc1nn[nH]n1 ZINC000101171530 HH Annotated Anodyne CC1=C(C)C(=O)C([C@@H](CCCCCC(=O)NCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000101245254 HH Annotated Mild CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@H](C(C)C)C1 ZINC000101282689 HH Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@@H](C(C)C)C1 ZINC000101282965 HH Annotated Anodyne CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)[C@@H](C(C)C)C1 ZINC000101283023 HH Annotated Anodyne CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(OC(C)C)cc1)C2 ZINC000101283314 HH Annotated Anodyne O=CC1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000101296635 HH Annotated Reactive Cc1ccc(-c2ccc(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3)cc2)cc1 ZINC000101331183 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2[C@H]3CC4C[C@H]2CC(C(C)(C)O)(C4)C3)C1 ZINC000101371158 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)O[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](C(C)(C)O)(C4)C3)C1 ZINC000101371160 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)O[C@H]2[C@H]3CC4C[C@@H]2C[C@](C(C)(C)O)(C4)C3)C1 ZINC000101371162 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2[C@@H]3CC4C[C@@H]2CC(C(C)(C)O)(C4)C3)C1 ZINC000101371165 HH Annotated Anodyne Cc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000101377920 HH Annotated Anodyne Cc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C ZINC000101377925 HH Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccccc1 ZINC000101403109 HH Annotated Anodyne CC[C@H]1CC(O)=C2C1=N[C@@H]1COCC(=O)[C@@H]1[C@H]2c1ccc(F)c(Br)c1 ZINC000101411096 HH Annotated Anodyne CC[C@H]1CC(O)=C2C1=N[C@H]1COCC(=O)[C@@H]1[C@H]2c1ccc(F)c(Br)c1 ZINC000101411098 HH Annotated Anodyne CC[C@H]1CC(O)=C2C1=N[C@@H]1COCC(=O)[C@H]1[C@H]2c1ccc(F)c(Br)c1 ZINC000101411100 HH Annotated Anodyne CC[C@H]1CC(O)=C2C1=N[C@H]1COCC(=O)[C@H]1[C@H]2c1ccc(F)c(Br)c1 ZINC000101411102 HH Annotated Anodyne C[C@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000101413353 HH Annotated Reactive C[C@@]1(O)CC[C@@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000101413355 HH Annotated Reactive CCCCN(C)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c-2c(C)c2ccccc21 ZINC000101449253 HH Annotated Anodyne CCCCN(C)C(=O)Cn1c2nn(-c3ccc(F)cc3)c(=O)c-2c(C)c2ccccc21 ZINC000101449271 HH Annotated Anodyne Cc1cc(C(=O)N[C@H]2C(C)(C)[C@H](Oc3ccc(C#N)c(Cl)c3)C2(C)C)nn1C ZINC000101451956 HH Annotated Mild CC1(C)[C@H](NC(=O)c2cnc3ncccn23)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 ZINC000101451960 HH Annotated Mild C[C@H](Nc1cc(N[C@@H]2CC[C@@H](NS(C)(=O)=O)CC2)ncn1)c1ccc(Cl)cc1 ZINC000101471771 HH Annotated Anodyne CN(C)CCCOCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000101473167 HH Annotated Anodyne Cc1cccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(C)(=O)=O)c1C ZINC000101474813 HH Annotated Clean COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1=C(O)OCC1=N2 ZINC000101499147 HH Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)C1=C(O)OCC1=N2 ZINC000101499149 HH Annotated Anodyne C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C ZINC000101500487 HH Annotated Anodyne O=C(c1c(NC(=O)C23C[C@H]4CC2C[C@@H](C4)C3)sc2c1CCOC2)N1CC(F)(F)C1 ZINC000101500765 HH Annotated Anodyne O=C(c1c(NC(=O)C23C[C@@H]4CC2C[C@H](C4)C3)sc2c1CCOC2)N1CC(F)(F)C1 ZINC000101500771 HH Annotated Anodyne CCCNC(=O)c1c(NC(=O)C23C[C@H]4CC2C[C@@H](C4)C3)sc2c1CCN(C)C2 ZINC000101500789 HH Annotated Anodyne CCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@H](C4)C3)sc2c1CCN(C)C2 ZINC000101500795 HH Annotated Anodyne CSCC[C@@H](/C(O)=C(\C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O ZINC000101512712 HH Annotated Reactive CSCC[C@H](/C(O)=C(\C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O ZINC000101512714 HH Annotated Reactive COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(C)o1 ZINC000101514625 HH Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(C)o1 ZINC000101514626 HH Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(C)o1 ZINC000101514628 HH Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(C)o1 ZINC000101514631 HH Annotated Mild O=C(CN1CCN(Cc2ccccc2Cl)CC1)/N=N/c1c(O)[nH]c2ccccc12 ZINC000101527059 HH Annotated Clean CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 ZINC000101541085 HH Annotated Anodyne COCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 ZINC000101541096 HH Annotated Anodyne CC1(C)[C@@H](NC(=O)c2cn(CCCCO)c3cc(F)ccc3c2=O)[C@]2(C)CC[C@@H]1C2 ZINC000101541122 HH Annotated Anodyne CCCCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(C)c1 ZINC000101549748 HH Annotated Anodyne CN(CC[C@@H]1CC[C@@H](C(=O)N2CCC(O)CC2)CC1)C(=O)Oc1ccc(Cl)cc1 ZINC000101554719 HH Annotated Anodyne CCOC(=O)c1ccc(Nc2c(C)c(N[C@@H]3CC[C@@H](N)CC3)nc3ccnn23)cc1 ZINC000101556713 HH Annotated Anodyne C=CCn1c(O)c(/N=N/C(=O)CNC(=O)/C=C/c2ccc(OC)cc2)c2ccccc21 ZINC000101587671 HH Annotated Mild CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000101613554 HH Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000101616449 HH Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000101616451 HH Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000101616499 HH Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000101616502 HH Annotated Anodyne COc1ccc(/C=N/NC(=O)/C(O)=C\C2=NC3(CCCC3)Cc3ccccc32)cc1 ZINC000101622610 HH Annotated Reactive C=C1C[C@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1O ZINC000101622663 HH Annotated Mild CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)nc2c1 ZINC000101634772 HH Annotated Anodyne CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)nc2c1 ZINC000101634774 HH Annotated Anodyne CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)nc2c1 ZINC000101634777 HH Annotated Anodyne CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)nc2c1 ZINC000101634781 HH Annotated Anodyne O=C(CCc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 ZINC000101637737 HH Annotated Anodyne O=C(CCc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 ZINC000101637743 HH Annotated Anodyne COCCO[C@@H]1CC[C@@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 ZINC000101638149 HH Annotated Anodyne NCCCCNCCCNC1=CC(=O)c2cc3cc4ccccc4cc3cc2C1=O ZINC000101642641 HH Annotated Mild NCCCCCNCCCNC1=CC(=O)c2cc3cc4ccccc4cc3cc2C1=O ZINC000101644575 HH Annotated Mild CC(C)CCn1c(=O)c(C2=CS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101655134 HH Annotated Anodyne CCOc1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(OC)cc1)n2C(F)F ZINC000101656814 HH Annotated Anodyne CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)N(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)C1 ZINC000101668509 HH Annotated Anodyne CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)C1 ZINC000101668512 HH Annotated Anodyne CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)N([C@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)C1 ZINC000101668515 HH Annotated Anodyne CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C1 ZINC000101668517 HH Annotated Anodyne CC1(C)CCN(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccccc3)c21 ZINC000101668531 HH Annotated Anodyne CC1(C)CCN([C@@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)C(=O)c2cnn(-c3ccccc3)c21 ZINC000101668534 HH Annotated Anodyne CC1(C)CCN([C@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)C(=O)c2cnn(-c3ccccc3)c21 ZINC000101668539 HH Annotated Anodyne CC1(C)CCN(C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccccc3)c21 ZINC000101668542 HH Annotated Anodyne CCN(CC)CCNC(=O)c1cc2c([125I])cccc2s1 ZINC000101669057 HH Annotated Anodyne O=C1C[C@H](N2CCN=C2C2=C(O)/C(=C/c3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000101677023 HH Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CS/C(S)=N/N=C/c1ccccc1O)C2=O ZINC000101679881 HH Annotated Mild CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CS/C(S)=N/N=C/c1ccccc1O)C2=O ZINC000101679892 HH Annotated Mild Cc1ccc(N(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)S(C)(=O)=O)c(C)c1 ZINC000101687304 HH Annotated Clean CC(=O)[C@@H](O)[C@@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@@H]1O ZINC000101694245 HH Annotated Anodyne CC(=O)[C@@H](O)[C@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@@H]1O ZINC000101694247 HH Annotated Anodyne CC(=O)[C@H](O)[C@@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@@H]1O ZINC000101694253 HH Annotated Anodyne O=c1c(Nc2ccc(Cl)c(Cl)c2)c(Nc2nnc(-c3ccncc3)s2)c1=O ZINC000101698263 HH Annotated Anodyne CSc1nnc(-c2ccccc2/N=C/c2c(C)nn(-c3ccccc3)c2O)c(O)n1 ZINC000101699005 HH Annotated Mild CCCCOc1c(NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O ZINC000101702626 HH Annotated Anodyne CCCCOc1c(NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O ZINC000101702632 HH Annotated Anodyne Cc1ccc(C(=O)N2C[C@H](C)S/C2=N\c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000101703356 HH Annotated Mild Cc1ccc(C(=O)N2C[C@@H](C)S/C2=N\c2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000101703362 HH Annotated Mild N=c1scc(-c2ccc(Cl)cc2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000101703867 HH Annotated Anodyne O=S1(=O)[C@H]2C[C@H]3O[C@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000101718130 HH Annotated Anodyne COc1cccc([C@@H]2/C(=C(\O)OCc3ccccc3)C(C)=Nc3ncnn32)c1OC ZINC000101720614 HH Annotated Anodyne COc1cccc([C@H]2/C(=C(\O)OCc3ccccc3)C(C)=Nc3ncnn32)c1OC ZINC000101720616 HH Annotated Anodyne C/C1=C/C(=O)O[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000101725486 HH Annotated Anodyne CCN(CCCNC(=O)Cn1ncc2c3cc(C)ccc3nc-2c1O)c1ccccc1 ZINC000101786127 HH Annotated Anodyne O=C(CNC(=O)c1cccs1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000101797780 HH Annotated Clean CCn1c(SCC(=O)NCCc2ccccc2)nc2c3ccccc3nc-2c1O ZINC000101802135 HH Annotated Anodyne C=CCn1c(SCC(=O)NCCc2ccccc2)nc2c3ccccc3nc-2c1O ZINC000101804032 HH Annotated Mild COc1ccc(CCNc2[nH]cnc3c4cc(OC)c(OC)cc4nc2-3)cc1OC ZINC000101824517 HH Annotated Anodyne COc1cc2c(cc1OC)[S@](C)(=O)=NC(N1CCC(C#N)(c3ccccc3)CC1)=N2 ZINC000101827113 HH Annotated Mild COc1cc2c(cc1OC)[S@@](C)(=O)=NC(N1CCC(C#N)(c3ccccc3)CC1)=N2 ZINC000101827119 HH Annotated Mild CCN(CC)S(=O)(=O)c1ccc(/C(O)=C(\C#N)c2nc3ccccc3n2C)cc1 ZINC000101840785 HH Annotated Reactive CCCCc1c(O)n(-c2ccccc2C)c(SCC(=O)N2CCCCC2)nc1=O ZINC000101842334 HH Annotated Anodyne COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@H]3CCC[C@H]2C3=NNC(N)=S)c1 ZINC000101847979 HH Annotated Mild COc1cccc([C@@H]2N[C@@H](c3cccc(OC)c3)[C@H]3CCC[C@H]2C3=NNC(N)=S)c1 ZINC000101847985 HH Annotated Mild Cc1cccc(C)c1NC(=O)CN1C[C@@H]2CC[C@@H](C1)N2c1ncnc2sccc12 ZINC000101850699 HH Annotated Anodyne Cc1cccc(C)c1NC(=O)CN1C[C@H]2CC[C@H](C1)N2c1ncnc2sccc12 ZINC000101850705 HH Annotated Anodyne CC(C)[C@@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 ZINC000101853432 HH Annotated Anodyne CC(C)[C@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 ZINC000101853435 HH Annotated Anodyne N[C@@H]1CC[C@@H](NC(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000101866485 HH Annotated Reactive Cc1cc(Cl)ccc1N(CC(=O)/N=N/c1c(O)[nH]c2ccccc12)S(C)(=O)=O ZINC000101910008 HH Annotated Clean CCCCNC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1C ZINC000101910740 HH Annotated Anodyne aggregator C=CC/N=C1\SCCCCN1N1C(=O)[C@@H]2[C@@H]3C=C(C)[C@H](C[C@H]3C(C)C)[C@H]2C1=O ZINC000101911894 HH Annotated Mild C=CC/N=C1\SCCCCN1N1C(=O)[C@@H]2[C@@H]3C=C(C)[C@H](C[C@@H]3C(C)C)[C@H]2C1=O ZINC000101911899 HH Annotated Mild CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@@H]12)C3(C)C ZINC000101915274 HH Annotated Mild C=CC/N=C1\SCCCCN1N1C(=O)[C@H]2[C@H](C1=O)[C@]1(C(C)C)C=C[C@]2(C)CC1 ZINC000101915621 HH Annotated Mild C=CC/N=C1\SCCCCN1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C=C[C@@]2(C(C)C)CC1 ZINC000101915626 HH Annotated Mild C[C@@H]1[C@@H](OC(=O)Nc2ccccc2)C[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000101923051 HH Annotated Reactive COc1cc(/C=N/NC(=O)/C(O)=C\C2=NC3(CCCC3)Cc3ccccc32)ccc1O ZINC000101946201 HH Annotated Reactive O[C@H](NC[C@]12CC[C@@H](C1)NC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000101953849 HH Annotated Anodyne O[C@@H](NC[C@]12CC[C@@H](C1)NC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000101953853 HH Annotated Anodyne COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(O)c2/C=N/C[C@@H]2CCCO2)cc1 ZINC000101954833 HH Annotated Mild COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(O)c2/C=N/C[C@H]2CCCO2)cc1 ZINC000101954838 HH Annotated Mild CCCCc1c(O)n(-c2ccccc2C)c(SCC(=O)NC(C)(C)C)nc1=O ZINC000101965125 HH Annotated Anodyne COC(=O)[C@@H]1C[C@]23CN4C[C@@H](CC[C@@]5(CC[C@@H]1[C@H]25)C4)[C@@]31CC[C@](OC)(C(C)C)OC1 ZINC000101972965 HH Annotated Anodyne COC(=O)[C@@H]1C[C@]23CN4C[C@H](CC[C@@]5(CC[C@@H]1[C@H]25)C4)[C@@]31CC[C@](OC)(C(C)C)OC1 ZINC000101972969 HH Annotated Anodyne C/C=C1\C([C@@]2(C)CCCC(C)(C)C2)=C[C@H](O)[C@H]2[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@H]12 ZINC000101977320 HH Annotated Anodyne CCc1cc(=O)c2ccc(OC)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000102002865 HH Annotated Anodyne CCc1cc(=O)c2ccc(OC)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000102002867 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CCC[C@@H]1c1c(C(F)(F)F)n[nH]c1C2 ZINC000102021891 HH Annotated Anodyne CC1=C[C@@H]2/C=C(/C)CCC[C@H](O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000102037876 HH Annotated Anodyne O=c1c2ccc(Cl)cc2[nH]c2nc3sc4nc5ccccc5nc4n3c(=O)c12 ZINC000102066294 HH Annotated Bother C/C(NNC(=O)c1ccc(C(=O)O)cc1)=C1/C(=O)N(c2ccccc2)c2ccccc21 ZINC000102140850 HH Annotated Reactive CN(Cc1ccccc1)C(=O)COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000102153672 HH Annotated Anodyne COC1=C(OC)C(=O)C([C@H](CCCCCC(=O)O)c2ccc(F)cc2)=C(C)C1=O ZINC000102199391 HH Annotated Mild O=CC1=C[C@]23CC/C=C\CCCCN4CC[C@@H]1[C@]1(C[C@@H]5CCC(=O)CC[C@@H](O2)N5[C@@H]31)C4 ZINC000102215391 HH Annotated Reactive OCC1=C[C@]2(O)CC/C=C\CCCCN3CC[C@H]1[C@@]1(C[C@H]4C=CCCCCN4[C@@H]12)C3 ZINC000102229639 HH Annotated Anodyne CC(=O)OC[C@]1(C(=O)O)[C@H]2CC[C@@]34C[C@@H]5[C@@H](C[C@H]3[C@]2(C)CC[C@H]1OC(C)=O)[C@]5(C)C4 ZINC000102235027 HH Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H](CC#N)C2)[C@]13C(=O)O ZINC000102247317 HH Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H](CC#N)C2)[C@]13C(=O)O ZINC000102247328 HH Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@H](CC#N)C2)[C@]13C(=O)O ZINC000102247331 HH Annotated Mild COc1ccc(/C=C/C(O)=C2\C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)c(OC)c1OC ZINC000102310184 HH Annotated Anodyne COc1ccc(/C=C/C(O)=C2\C(=O)N[C@@]3(C)C[C@H]2c2ccccc2O3)c(OC)c1OC ZINC000102310187 HH Annotated Anodyne COc1ccc(/C=C/C(O)=C2\C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)c(OC)c1OC ZINC000102310189 HH Annotated Anodyne COc1ccc(/C=C/C(O)=C2\C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)c(OC)c1OC ZINC000102310191 HH Annotated Anodyne O=S1(=O)[C@H]2C[C@@H]3O[C@@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000102313999 HH Annotated Anodyne O=C(Cc1cccc(F)c1)Nc1cnn(-c2ccc(C(=O)N3C[C@H]4CC[C@H]3C4)cc2)c1 ZINC000102347121 HH Annotated Anodyne O=C(CNC(=O)c1ccccc1)/N=N\c1c(O)[nH]c2ccc(Br)cc12 ZINC000102367476 HH Annotated Clean CCOC(=O)C1=CC[C@@H]2c3c(c4ccccc4n3C)C(=O)[C@@H]1N2C(=O)OC(C)(C)C ZINC000102374565 HH Annotated Anodyne CCOC(=O)C1=CC[C@H]2c3c(c4ccccc4n3C)C(=O)[C@H]1N2C(=O)OC(C)(C)C ZINC000102374570 HH Annotated Anodyne C=CCn1c(O)c(/N=N\C(=O)CNC(=O)/C=C/c2ccc(OC)cc2)c2ccccc21 ZINC000102401237 HH Annotated Mild N[P@](=O)(OCc1ccc([N+](=O)[O-])cc1C(F)(F)F)N(CCCl)CCCl ZINC000102406060 HH Annotated Reactive C/N=C1/S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1/N=C/c1cccs1 ZINC000102518363 HH Annotated Mild Cn1c(O)c(/N=N\C(=O)CNC(=O)c2ccccc2)c2cc(Br)ccc21 ZINC000102526513 HH Annotated Clean COc1cccc([C@@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)c1OC ZINC000102651275 HH Annotated Anodyne COc1cccc([C@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)c1OC ZINC000102651278 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(/C(O)=C(/C#N)c2nc3ccccc3n2C)cc1 ZINC000102682482 HH Annotated Reactive CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccccc2)cc1 ZINC000102714762 HH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccccc2)cc1 ZINC000102714764 HH Annotated Mild Cn1c(/C(C#N)=C(\O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2ccccc21 ZINC000102715818 HH Annotated Reactive Cc1ccc(-c2nn(-c3ccccc3)c3nc(O)c(CNCCN(C)C)cc23)cc1 ZINC000102730217 HH Annotated Anodyne CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102737225 HH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102737227 HH Annotated Mild CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000102750973 HH Annotated Anodyne CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000102750976 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC2=C/C(=N\c3ccc(O)cc3)C(=O)c3ccccc32)cc1 ZINC000102757325 HH Annotated Mild Cc1ccc(S(=O)(=O)NC2=C/C(=N/c3ccc(O)cc3)C(=O)c3ccccc32)cc1 ZINC000102757329 HH Annotated Mild CC(C)CCNC(=O)[C@H](Cc1ccccc1)N/C=C1/C(=O)Nc2ccc(Cl)cc21 ZINC000102814184 HH Annotated Anodyne C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCC(=O)O)C1=O ZINC000102820376 HH Annotated Mild N#Cc1c(F)c(F)c2c(C(=O)c3ccc(Cl)cc3)c3n(c(=N)c2c1F)CCN3 ZINC000102825962 HH Annotated Mild COc1ccc(C(=O)c2c3n(c(=N)c4c(F)c(C#N)c(F)c(Cl)c24)CCO3)cc1 ZINC000102827694 HH Annotated Mild COc1ccc(C(=O)c2c3n(c(=N)c4c(F)c(C#N)c(F)c(Cl)c24)CCN3)cc1 ZINC000102840882 HH Annotated Mild COc1ccc([C@@]23Cc4cc(OC)c(OC)cc4[C@H](O2)c2c(cc(C)oc2=O)O3)cc1 ZINC000102853220 HH Annotated Anodyne COc1ccc([C@]23Cc4cc(OC)c(OC)cc4[C@@H](O2)c2c(cc(C)oc2=O)O3)cc1 ZINC000102853223 HH Annotated Anodyne CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000102867540 HH Annotated Clean O=C1[C@H](/C=N/Cc2cccnc2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 ZINC000102874392 HH Annotated Mild O=C1[C@@H](/C=N/Cc2cccnc2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 ZINC000102874395 HH Annotated Mild COc1ccc(CN/C=C2\C=C(C=O)c3c(ccc4c(C)cc(=O)oc34)C2=O)cc1 ZINC000102898186 HH Annotated Reactive COc1cccc(CN/C=C2\C=C(C=O)c3c(ccc4c(C)cc(=O)oc34)C2=O)c1 ZINC000102898187 HH Annotated Reactive Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@]13C[C@@H]4C[C@@H](C[C@@H]1C4)C[C@H]23 ZINC000102915402 HH Annotated Anodyne C=CCn1cc(C2=NS(=O)(=O)c3cc(Br)cnc3N2)c2ccccc21 ZINC000102932389 HH Annotated Mild CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(CC3Cc4ccccc4C3)C[C@H]21 ZINC000102935218 HH Annotated Anodyne CCOC(=O)C(=O)CC(=O)C1=C(c2ccccc2OC)CC(c2cccs2)=CC1=O ZINC000102936470 HH Annotated Mild CN1[C@H]2CC[C@H]1/C(=C/c1cccc3c1OCO3)C(=O)/C2=C\c1cccc2c1OCO2 ZINC000102938725 HH Annotated Mild CN1[C@@H]2CC[C@@H]1/C(=C/c1cccc3c1OCO3)C(=O)/C2=C\c1cccc2c1OCO2 ZINC000102938730 HH Annotated Mild CN(c1ccc2[nH]ncc2c1)c1c(NCc2ccc(Cl)cc2Cl)c(=O)c1=O ZINC000102939191 HH Annotated Anodyne CCOc1ccccc1/N=N/[C@H]1C(=O)N(C(=O)CC(=O)Nc2ccccc2C)N=C1C ZINC000102945735 HH Annotated Clean CCOc1ccccc1/N=N/[C@@H]1C(=O)N(C(=O)CC(=O)Nc2ccccc2C)N=C1C ZINC000102945736 HH Annotated Clean C=C(C)[C@@H]1C[C@H]2C(C)=C(OC(C)=O)[C@H]1n1c(=O)c3cc4ccccc4cc3c(=O)n12 ZINC000102948657 HH Annotated Mild C=C(C)[C@H]1C[C@H]2C(C)=C(OC(C)=O)[C@H]1n1c(=O)c3cc4ccccc4cc3c(=O)n12 ZINC000102948659 HH Annotated Mild C/C(=N/NC(N)=S)[C@@H](CN(C)C)[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1 ZINC000102948959 HH Annotated Mild C/C(=N/NC(N)=S)[C@H](CN(C)C)[C@@H](C1=C(O)c2ccccc2OC1)c1ccccc1 ZINC000102948961 HH Annotated Mild COc1ccc(-n2c(=O)c3nc(S)[nH]c3n(-c3ccc(OC)cc3)c2=S)cc1 ZINC000102953252 HH Annotated Anodyne CC(C)n1cc(C2=NS(=O)(=O)c3cc(Br)cnc3N2)c2ccccc21 ZINC000102954562 HH Annotated Anodyne CC(=O)C1=C(C)N(c2ccccc2)[C@@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]312 ZINC000102961958 HH Annotated Mild CC(=O)C1=C(C)N(c2ccccc2)[C@@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]312 ZINC000102961962 HH Annotated Mild CC(=O)C1=C(C)N(c2ccccc2)[C@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@@]312 ZINC000102961964 HH Annotated Mild CC(=O)C1=C(C)N(c2ccccc2)[C@]2(O)C=CC(O)=C3C(=O)c4ccccc4C(=O)[C@]312 ZINC000102961967 HH Annotated Mild CO[C@@H]1[C@H]2c3cc4c(cc3C[C@@](C#N)(c3ccccc32)N1C(=O)c1ccccc1)OCO4 ZINC000102962141 HH Annotated Mild CO[C@H]1[C@H]2c3cc4c(cc3C[C@@](C#N)(c3ccccc32)N1C(=O)c1ccccc1)OCO4 ZINC000102962144 HH Annotated Anodyne Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ccccn34)C2(C)C)ccc1C#N ZINC000102966634 HH Annotated Mild CC1(C)[C@H](NC(=O)c2cn3cccnc3n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 ZINC000102967029 HH Annotated Mild CN(C)/C=N/c1nsc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc12 ZINC000102969933 HH Annotated Mild CC1(C)[C@H](NC(=O)c2ccc3nncn3c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 ZINC000102970279 HH Annotated Mild COC(=O)Cc1cc(O)c(C/C=C(\C)CC/C=C(\C)[C@@H](O)C(=O)C=C(C)C)cc1O ZINC000102979200 HH Annotated Mild CCS[C@@]12C[C@@H]3c4cccc5c4[C@H](CN5C(=O)c4ccccc4)C[C@@]3(O1)N(C)C2=O ZINC000102982434 HH Annotated Anodyne CCS[C@@]12C[C@H]3c4cccc5c4[C@H](CN5C(=O)c4ccccc4)C[C@@]3(O1)N(C)C2=O ZINC000102982438 HH Annotated Anodyne C1=CC=C2NCCSCC/N=C3/C=CC=CC=C3NCCSCC/N=C\2C=C1 ZINC000102984590 HH Annotated Clean CCCCCC#CC#C/C=C/C[C@@H](C)C[C@@H]1C[C@H](C)/C(=C2/C(=O)[C@@H](C)N(C)C2=O)N1N ZINC000102998319 HH Annotated Mild CCCCCC#CC#C/C=C/C[C@H](C)C[C@@H]1C[C@H](C)/C(=C2/C(=O)[C@@H](C)N(C)C2=O)N1N ZINC000102998323 HH Annotated Mild C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)N(C)CCO)CC1 ZINC000103000263 HH Annotated Reactive CCOC(=O)[C@H](CCSC)NC1=C(C)C(=O)C(O)=C([C@H](C)CCC=C(C)C)C1=O ZINC000103001243 HH Annotated Mild CCOC(=O)CCCn1c2c(c(C)c1-c1ccccc1)C1=NC(=O)CN1C(SC)=N2 ZINC000103006384 HH Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)CCCC(=O)[C@@H]1CCC/C1=N\NC(=O)CC#N ZINC000103016056 HH Annotated Reactive Cc1cc(Cl)ccc1NC(=O)CCCC(=O)[C@H]1CCC/C1=N\NC(=O)CC#N ZINC000103016059 HH Annotated Reactive COC(=O)c1c(C)nc(C)c2c1C(=O)C=C(Nc1ccc(Br)cc1)C2=O ZINC000103119358 HH Annotated Mild COC(=O)c1c(C)nc(C)c2c1C(=O)C(Cl)=C(Nc1ccc(F)c(F)c1)C2=O ZINC000103124525 HH Annotated Mild CC1=C[C@]2(C)/C=C(C)/C=C/C[C@@H](O)/C=C3/C=C/C(=C4\C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3 ZINC000103128683 HH Annotated Mild COC(=O)c1ccc2nc3n(C)c4ccccc4c(N4CCCN(C)CC4)c-3c2c1 ZINC000103142068 HH Annotated Bother C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)NC(C)(C)C)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103144658 HH Annotated Mild O=C1/C=C/[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2/C=C/CCC[C@H](CCOCc2ccccc2)O1 ZINC000103146836 HH Annotated Anodyne CC1=NN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C(=O)/C1=N/Nc1cccc(F)c1 ZINC000103152539 HH Annotated Mild COc1ccc(/C=N/NC(=O)c2c[nH]c3c(ccc4nc(Cl)cc(C)c43)c2=O)cc1 ZINC000103168268 HH Annotated Reactive O=C(CN(CCCl)CCCl)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000103169029 HH Annotated Reactive C[C@H]1CCC[C@@H](C)N1CC#CCn1nc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000103169297 HH Annotated Mild C[C@H]1CCC[C@H](C)N1CC#CCn1nc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000103169300 HH Annotated Mild C[C@@H]1CCC[C@@H](C)N1CC#CCn1nc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000103169304 HH Annotated Mild O=c1n(CC#CCN2CCCCCCC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000103169312 HH Annotated Mild CN(C)C[C@@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000103169443 HH Annotated Anodyne CN(C)C[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000103169445 HH Annotated Anodyne CNCCc1c(Br)c(O)c(OC)c2c1ccc1cc(O)c(OC)cc12 ZINC000103170567 HH Annotated Bother Cc1ccc(C)c(C2=C(OC(=O)Cc3ccccc3)C3(CCC(=O)CC3)NC2=O)c1 ZINC000103171916 HH Annotated Anodyne O[C@](Cn1ccnc1)(Cn1cncn1)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000103173040 HH Annotated Anodyne O[C@@](Cn1ccnc1)(Cn1cncn1)c1ccc(Oc2ccc(F)cc2)cc1Cl ZINC000103173042 HH Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(/C=N/OCC(F)(F)F)cc1 ZINC000103173682 HH Annotated Mild COc1cc2cc(C(=O)N3CCC[C@H]3C=O)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103174324 HH Annotated Mild COc1cc2cc(CN3CCC(O)CC3)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103175484 HH Annotated Bother CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccccc2OC)nn1C ZINC000103175549 HH Annotated Anodyne O=c1n(CC#CCN2CCCCC2)nc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000103175649 HH Annotated Mild COc1ccc(NC(=O)C[n+]2cccc(C(=O)Nc3ccc(SC)cc3)c2)cc1 ZINC000103175910 HH Annotated Mild COc1ccc(/C=C2\CN(CC(=O)O)c3c(Cl)cccc3C2=O)c(OC)c1OC ZINC000103175982 HH Annotated Mild CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccc(Br)cc1 ZINC000103176282 HH Annotated Mild CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccc(Br)cc1 ZINC000103176283 HH Annotated Mild COc1ccc(-c2nn3c(COc4ccc([N+](=O)[O-])cc4)nc(=S)nc3o2)cc1 ZINC000103176875 HH Annotated Bother COc1ccc2c(n1)[C@@]1(CO2)C(=O)N(Cc2csc(C(C)C)n2)c2ccccc21 ZINC000103177805 HH Annotated Anodyne COc1ccc2c(n1)[C@]1(CO2)C(=O)N(Cc2csc(C(C)C)n2)c2ccccc21 ZINC000103177807 HH Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c(C)c(C)c(Cl)c2c1OC(C)=O ZINC000103178115 HH Annotated Anodyne COc1ccc(/C=N/N=c2\scc(C3=CC(=O)C=CC3=O)n2-c2ccccc2)cc1 ZINC000103178644 HH Annotated Mild O=C(Nc1c(Cl)cccc1Cl)c1c(-c2ccccc2)nc2n1CCS2(=O)=O ZINC000103179302 HH Annotated Anodyne O=C(c1ccc(Br)cc1)[C@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F ZINC000103180436 HH Annotated Anodyne O=C(c1ccc(Br)cc1)[C@@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F ZINC000103180438 HH Annotated Anodyne C=CCn1c(=O)c([C@@H]2C3=C(CCCC3=O)Oc3cc(C)oc(=O)c32)cc2ccccc21 ZINC000103183998 HH Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CCCC3=O)Oc3cc(C)oc(=O)c32)cc2ccccc21 ZINC000103184000 HH Annotated Mild CCc1cc(C(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)C(C)=O)n(C)n1 ZINC000103184180 HH Annotated Bother Cn1nc(C(C)(C)C)c(Br)c1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103185192 HH Annotated Anodyne C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2F)cc1)c1nnc(SCC(N)=O)o1 ZINC000103186022 HH Annotated Anodyne COCCOCC1=C(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000103186128 HH Annotated Reactive CN1C2=N[C@H]3C=CC(Br)=C[C@@H]3C2=C(NCCCN)c2cc(Cl)ccc21 ZINC000103186524 HH Annotated Anodyne CN1C2=N[C@@H]3C=CC(Br)=C[C@@H]3C2=C(NCCCN)c2cc(Cl)ccc21 ZINC000103186526 HH Annotated Anodyne CN1C2=N[C@H]3C=CC(Br)=C[C@H]3C2=C(NCCCN)c2cc(Cl)ccc21 ZINC000103186528 HH Annotated Anodyne CN1C2=N[C@@H]3C=CC(Br)=C[C@H]3C2=C(NCCCN)c2cc(Cl)ccc21 ZINC000103186531 HH Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(OCCCC(F)(F)F)nc2)c1Cl ZINC000103187172 HH Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(C3=Nc4ccccc4C4=NCCN34)cc2)cc1 ZINC000103188571 HH Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccc(C)cc2)c1 ZINC000103191264 HH Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccc(C)cc2)c1 ZINC000103191267 HH Annotated Anodyne COc1ccc(OC)c(/C=C2\SC(=S)N(Cc3nc4ccccc4[nH]3)C2=O)c1 ZINC000103192737 HH Annotated Clean NS(=O)(=O)c1ccc(N2N=C(c3cccc(O)c3)C[C@H]2/C=C/c2ccccc2)cc1 ZINC000103192917 HH Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@](=O)C(F)(F)C(F)F)cc1 ZINC000103197436 HH Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@@](=O)C(F)(F)C(F)F)cc1 ZINC000103197439 HH Annotated Anodyne Cc1cc(C2=C[C@H](c3ccc(N(C)C)cc3)N(C(=O)c3ccncc3)N2)ccc1O ZINC000103197747 HH Annotated Clean Cc1cc(C2=C[C@@H](c3ccc(N(C)C)cc3)N(C(=O)c3ccncc3)N2)ccc1O ZINC000103197749 HH Annotated Clean COC(=O)[C@@H](Nc1c(-c2c(F)cc(F)cc2F)c(F)nc2nccnc12)C(C)C ZINC000103197968 HH Annotated Anodyne COc1cc(Cl)n2s/c(=N\C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)nc2n1 ZINC000103198064 HH Annotated Anodyne CCOC(=O)CNC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000103198278 HH Annotated Anodyne CCOC(=O)CNC(=O)[C@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000103198280 HH Annotated Anodyne CNC(=O)[C@H](OC)c1ccccc1CO/N=C(/SC)c1ccc(OC(F)F)cc1 ZINC000103199195 HH Annotated Mild CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(/SC)c1ccc(OC(F)F)cc1 ZINC000103199198 HH Annotated Mild CC(C)C(=O)Nc1ccc2cc3cccc4c3c(c2c1)C(=O)N(CCN(C)C)C4=O ZINC000103199936 HH Annotated Bother COc1ccc2c(n1)[C@]1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21 ZINC000103200269 HH Annotated Anodyne COc1ccc2c(n1)[C@@]1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21 ZINC000103200271 HH Annotated Anodyne COc1ccc([C@H]2C=C(c3ccc(O)c(C)c3)NN2C(=O)c2ccncc2)cc1OC ZINC000103200452 HH Annotated Anodyne COc1ccc([C@@H]2C=C(c3ccc(O)c(C)c3)NN2C(=O)c2ccncc2)cc1OC ZINC000103200455 HH Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1coc(-c2cccc(Cl)c2)n1)SC ZINC000103200514 HH Annotated Reactive CCOP(=O)(OCC)[C@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1F ZINC000103201032 HH Annotated Reactive CCOP(=O)(OCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1F ZINC000103201036 HH Annotated Reactive CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)C1=Cc2cc(Cl)ccc2C1 ZINC000103201146 HH Annotated Mild COc1cc2cc(CN3CCC[C@H]3CO)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103201204 HH Annotated Bother O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OCc2ccc(Cl)cc2)nn1 ZINC000103201246 HH Annotated Anodyne CCNC[C@@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000103202034 HH Annotated Anodyne CCNC[C@](O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000103202036 HH Annotated Anodyne CCn1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c(=O)c2ccc(C)nc21 ZINC000103202344 HH Annotated Reactive CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)C1=Cc2c(Cl)cccc2C1 ZINC000103203713 HH Annotated Mild CCOc1c(S(=O)(=O)CC)ccc(C(=O)c2c(C)nc(C(C)C)n2O)c1Cl ZINC000103204111 HH Annotated Anodyne CSc1nn(-c2ccccc2)c2nc3n(-c4cccc(Cl)c4)cnn3c(=O)c12 ZINC000103204902 HH Annotated Anodyne CC1=NN(c2nc3ccc(Cl)cc3s2)C(=O)/C1=N/Nc1ccccc1C(=O)O ZINC000103206126 HH Annotated Mild CC1=NN(c2nc3ccc(Cl)cc3s2)C(=O)/C1=N/Nc1ccc(C(=O)O)cc1 ZINC000103207316 HH Annotated Mild CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN([C@@H](C)c2ccccc2)CN1C ZINC000103209560 HH Annotated Anodyne O=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(Nc3ccccc3F)c(F)cc2c1=O ZINC000103210309 HH Annotated Bother CCCCCN(CCCCC)CC(=O)Nn1c(S)nnc1-c1ccc(OC)cc1 ZINC000103210548 HH Annotated Anodyne CCCOP(=O)(OCCC)[C@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 ZINC000103210800 HH Annotated Reactive CCCOP(=O)(OCCC)[C@@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 ZINC000103210802 HH Annotated Reactive COc1ccc(C2=NN(C(=S)NC(=O)c3ccc(Cl)cc3)C[C@H]2C)c(OC)c1 ZINC000103211417 HH Annotated Anodyne COc1ccc(C2=NN(C(=S)NC(=O)c3ccc(Cl)cc3)C[C@@H]2C)c(OC)c1 ZINC000103211420 HH Annotated Anodyne CCn1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(=O)c2ccc(C)nc21 ZINC000103214054 HH Annotated Reactive CCNc1nc(Nc2ccc(C#N)cc2)nc(Oc2cc(=O)n(C)c3ccccc23)n1 ZINC000103215702 HH Annotated Mild O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c(CN3CCOCC3)cc(Cl)cc12 ZINC000103216554 HH Annotated Bother COC(=O)c1c(C)nn(-c2ccccc2)c1OCCCOc1nc(C)cc(C)c1C#N ZINC000103217605 HH Annotated Mild Cc1cc(C)c(C2=C(OC(=O)C(=O)N3CCCCC3)C3(CCCC3)OC2=O)c(C)c1 ZINC000103217619 HH Annotated Anodyne CCN1CCN(CCCn2nc(-c3ccccc3)cc(Cc3cccs3)c2=O)CC1 ZINC000103219391 HH Annotated Anodyne CCOP(=O)(OCC)O/C(=N\N=C1/C(=O)Nc2ccccc21)c1ccccc1 ZINC000103219704 HH Annotated Mild Cc1ccc(C)c(C2=C(OC(=O)Cc3ccc(F)cc3)C3(CCC(=O)CC3)NC2=O)c1 ZINC000103220651 HH Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000103220854 HH Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000103220856 HH Annotated Bother CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(Cl)cc2)no1)SC ZINC000103220940 HH Annotated Reactive COC(=O)c1cccc2nc3cc(C(=O)c4ccccc4OC(C)=O)ccc3nc12 ZINC000103221452 HH Annotated Bother CS/C(N[C@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)=C(\C#N)C(N)=O ZINC000103222896 HH Annotated Reactive CS/C(N[C@@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)=C(\C#N)C(N)=O ZINC000103222897 HH Annotated Reactive CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\C)C1=Cc2ccc(Cl)cc2C1 ZINC000103222918 HH Annotated Mild CCCN1C[C@H](Cn2ccc(-c3ccccc3)n2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000103224177 HH Annotated Anodyne CCCN1C[C@@H](Cn2ccc(-c3ccccc3)n2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000103224180 HH Annotated Anodyne COC(=O)c1cc2c(OC[C@@H](N)Cc3ccccc3)ccc(Br)c2n1C ZINC000103224968 HH Annotated Anodyne COC(=O)c1cc2c(OC[C@H](N)Cc3ccccc3)ccc(Br)c2n1C ZINC000103224971 HH Annotated Anodyne COc1cc(-c2nn(CNCCc3ccccc3)c(=S)o2)cc(OC)c1OC ZINC000103228944 HH Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)NC1=S ZINC000103229850 HH Annotated Anodyne O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)NC1=S ZINC000103229852 HH Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c(-n4cc(-c5ccccc5)cn4)ccc(c23)C1=O ZINC000103230299 HH Annotated Anodyne C=CC[N+](C)(C)CCN1C(=O)[C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O ZINC000103230702 HH Annotated Mild CCCCCC[C@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103231540 HH Annotated Anodyne CCCCCC[C@@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103231543 HH Annotated Anodyne COc1ccc(-c2ccc(C3(Cc4nnn[nH]4)C4CC5CC3CC(C4)C5O)cc2)cc1 ZINC000103231579 HH Annotated Anodyne N#Cc1ccc(-c2ccc(C3(Cc4nnn[nH]4)C4CC5CC3CC(C4)C5O)cc2)cc1 ZINC000103231581 HH Annotated Mild OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000103231595 HH Annotated Anodyne Nc1ccc2c(c1)C(=O)[C@H](CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2 ZINC000103231770 HH Annotated Anodyne Nc1ccc2c(c1)C(=O)[C@@H](CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2 ZINC000103231772 HH Annotated Anodyne C=CCc1cc(OC)c(O[C@H](C)[C@H](O)c2cc(OC)c3c(c2)OCO3)c(OC)c1 ZINC000103231796 HH Annotated Mild C/C=C/c1cc(OC)c(O[C@H](C)[C@H](O)c2cc(OC)c3c(c2)OCO3)c(OC)c1 ZINC000103231820 HH Annotated Anodyne O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1ccc(Cl)cc1Cl ZINC000103232050 HH Annotated Reactive Nc1ccc2c(c1)[C@H](O)[C@H](CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2 ZINC000103232429 HH Annotated Anodyne Nc1ccc2c(c1)[C@@H](O)[C@H](CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2 ZINC000103232431 HH Annotated Anodyne Nc1ccc2c(c1)[C@H](O)[C@@H](CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2 ZINC000103232433 HH Annotated Anodyne Nc1ccc2c(c1)[C@@H](O)[C@@H](CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CC2 ZINC000103232434 HH Annotated Anodyne O=C(c1cc(Br)n[nH]1)N(Cc1cccc2[nH]c(=O)sc12)CC1CCC1 ZINC000103232620 HH Annotated Anodyne CCCC(=O)O[C@H]1C=C2C(=O)OC[C@]23C=CC2=C(C(C)=C3C1)[C@H](c1ccoc1)OC2=O ZINC000103232783 HH Annotated Anodyne CCCC(=O)O[C@@H]1CC2=C(C)C3=C(C=C[C@]24COC(=O)[C@@H]4C1)C(=O)O[C@H]3c1ccoc1 ZINC000103232798 HH Annotated Anodyne CCCC(=O)OC1=CC2=C(C)C3=C(C=C[C@]24COC(=O)[C@@H]4C1)C(=O)O[C@H]3c1ccoc1 ZINC000103232819 HH Annotated Anodyne OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000103233295 HH Annotated Anodyne OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(-c2cccc(F)c2)cc1 ZINC000103233299 HH Annotated Anodyne OC1C2CC3CC1CC(C2)C3(Cc1nnn[nH]1)c1ccc(-c2ccccc2F)cc1 ZINC000103233303 HH Annotated Anodyne O=C(NCc1ccc(O)c(O)c1)c1cc(C23CC4CC(CC(C4)C2)C3)c(O)cc1O ZINC000103234429 HH Annotated Clean NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(Cl)cc3)c([N+](=O)[O-])o2)c1F ZINC000103234523 HH Annotated Bother NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(Cl)cc3)c(CCCO)o2)c1F ZINC000103234543 HH Annotated Anodyne COc1cc(NS(=O)(=O)c2cccc([C@@H](C)C#N)c2)ccc1-n1cnc(Cl)c1 ZINC000103235403 HH Annotated Mild COc1cc(NS(=O)(=O)c2cccc([C@H](C)C#N)c2)ccc1-n1cnc(Cl)c1 ZINC000103235405 HH Annotated Mild COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@H]2c2ccccc2)cc1 ZINC000103236545 HH Annotated Bother COc1cccc2c1C(=O)C1=C(C[C@H](Cn3cc(-c4ccccc4)nn3)O[C@H]1C)C2=O ZINC000103236804 HH Annotated Mild CCCCCCc1cn(C[C@H]2CC3=C(C(=O)c4c(OC)cccc4C3=O)[C@@H](C)O2)nn1 ZINC000103236815 HH Annotated Mild COc1cccc2c1C(=O)C1=C(C[C@H](Cn3cc(-c4ccccc4)nn3)O[C@@H]1C)C2=O ZINC000103236819 HH Annotated Mild CCOc1ccc2nc(-n3c(=O)c4cccnc4n(-c4ccccc4)c3=O)sc2c1 ZINC000103238107 HH Annotated Anodyne O=C1/C(=C(\O)c2ccccc2)c2ccc(NS(=O)(=O)c3cccs3)cc2N1O ZINC000103238411 HH Annotated Anodyne O=C(CSc1ncccn1)N/N=c1/scc(-c2ccccc2)n1-c1ccccc1 ZINC000103238664 HH Annotated Reactive CC(C)(C)C(=O)Oc1coc(CSc2nc3cc(C(=O)O)ccc3o2)cc1=O ZINC000103240500 HH Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](O)([C@H]1CSC(=O)N1)C2 ZINC000103240601 HH Annotated Anodyne COCCOc1ccn2c(-c3ccc4cccc(O[C@H]5CCCNC5)c4n3)cnc2c1 ZINC000103240614 HH Annotated Anodyne COCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CCCNC5)c4n3)cnc2c1 ZINC000103240616 HH Annotated Anodyne COCCOc1ccn2c(-c3ccc4cccc(OC[C@@H]5CCNC5)c4n3)cnc2c1 ZINC000103240630 HH Annotated Anodyne COCCOc1ccn2c(-c3ccc4cccc(OC[C@H]5CCNC5)c4n3)cnc2c1 ZINC000103240633 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@H]2Cc2ccc(O)cc2)cc1 ZINC000103241365 HH Annotated Anodyne Nc1c(C(=O)N2CCNCC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103241943 HH Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)NC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000103242621 HH Annotated Anodyne COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2Br)C[C@H]1C ZINC000103245150 HH Annotated Mild COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2Br)C[C@@H]1C ZINC000103245153 HH Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2Br)C[C@H]1C ZINC000103245154 HH Annotated Mild COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2Br)C[C@@H]1C ZINC000103245157 HH Annotated Mild COc1c(C(=O)O)cc(CN2CCC(C#N)(c3ccccn3)CC2)c2ccccc12 ZINC000103245367 HH Annotated Mild COc1ccc2c(c1O)CCCC(CCO)=C2c1cc(OC)c(OC)c(OC)c1 ZINC000103247666 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)n1 ZINC000103247955 HH Annotated Anodyne COCCNC(=O)c1cc(-c2cnc3[nH]c(-c4ccc(OC)cc4)nc3c2)cs1 ZINC000103248085 HH Annotated Anodyne C=C(C(=O)NCc1cn(Cc2ccccc2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248188 HH Annotated Mild c1cc2cc(CCc3cc4ccc(C5=NCCCN5)cc4[nH]3)[nH]c2cc1C1=NCCCN1 ZINC000103251410 HH Annotated Anodyne C(=C/Cc1cc2ccc(C3=NCCN3)cc2[nH]1)\Cc1cc2ccc(C3=NCCN3)cc2[nH]1 ZINC000103251425 HH Annotated Anodyne C[C@]12CCOC[C@@H]1[C@]1(COC(N)=N1)c1cc(-c3cc(F)cc(Cl)c3)ccc1O2 ZINC000103253349 HH Annotated Anodyne O=C1c2cccc3cc(S(=O)(=O)O)cc(c23)C(=O)N1Cc1ccc(Cl)cc1 ZINC000103254247 HH Annotated Anodyne O=C(Nc1ncc(-c2cc(F)cc(F)c2)cn1)[C@H]1CC[C@@H](N2CCCC2=O)CC1 ZINC000103254449 HH Annotated Anodyne O=C(Nc1cnc(-c2cc(F)cc(F)c2)cn1)[C@H]1CC[C@@H](N2CCCC2=O)CC1 ZINC000103254451 HH Annotated Anodyne O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)[C@H]1CC[C@@H](N2CCOC2=O)CC1 ZINC000103254455 HH Annotated Anodyne O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)[C@H]1CC[C@@H](N2CCNC2=O)CC1 ZINC000103254470 HH Annotated Anodyne CN1CCN([C@@H]2CC[C@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O ZINC000103254472 HH Annotated Anodyne O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)[C@H]1CC[C@@H](N2CCCNC2=O)CC1 ZINC000103254476 HH Annotated Anodyne CCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 ZINC000103255070 HH Annotated Anodyne CCc1nc(CN2C[C@@H](C(=O)NCc3ccccc3Cl)[C@H](c3cccnc3)C2)c[nH]1 ZINC000103255107 HH Annotated Anodyne CCc1nc(CN2C[C@H](c3cccnc3)[C@@H](C(=O)NCc3ccccc3Cl)C2)c[nH]1 ZINC000103255109 HH Annotated Anodyne N#Cc1ccc(-c2cn(CCCCCn3cccc(O)c3=O)nn2)cc1C(F)(F)F ZINC000103255672 HH Annotated Mild CCN(CC)c1ccc2nc3c4ccccc4/c(=N\CCNC(=N)N)cc-3sc2c1 ZINC000103257752 HH Annotated Bother CCOC(=O)c1c[nH]nc1C#CCO[C@H](c1cccs1)c1cccnc1Cl ZINC000103260397 HH Annotated Mild CCOC(=O)c1c[nH]nc1C#CCO[C@@H](c1cccs1)c1cccnc1Cl ZINC000103260398 HH Annotated Mild O=C1N[C@H](C(=O)O)Cc2cn(c3ccccc23)C/C=C/COc2ccc(Cl)c1c2 ZINC000103260919 HH Annotated Anodyne CNc1nc(NCCCN(C)C)c2sc(-c3ccc(-n4cccn4)cc3)cc2n1 ZINC000103263099 HH Annotated Anodyne NC[C@@]1(c2cccc(Cl)c2)CC[C@@H](N2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC000103263398 HH Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](c2ccco2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103264330 HH Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](c2ccc[nH]2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103264345 HH Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](c2cc[nH]c2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103264348 HH Annotated Anodyne CCN(CC)C(=O)CCSc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000103264537 HH Annotated Clean CN(C(=S)SC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)c1ccccc1 ZINC000103264700 HH Annotated Anodyne CN(C(=S)SC[C@](O)(Cn1cncn1)c1ccc(F)cc1F)c1ccccc1 ZINC000103264703 HH Annotated Anodyne COc1ccc(-c2cc(C(=O)N3C[C@H](CC(C)C)NC(=O)[C@@H]3CC(C)C)no2)cc1 ZINC000103265321 HH Annotated Anodyne CC(C)C[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 ZINC000103265328 HH Annotated Anodyne CC(C)C[C@H]1CN(C(=O)c2cc(-c3ccc(C#N)cc3)on2)[C@@H](CC(C)C)C(=O)N1 ZINC000103265337 HH Annotated Mild CC[C@@H](C)[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 ZINC000103265349 HH Annotated Anodyne CSCC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 ZINC000103265361 HH Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](C(C)(C)C)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103265370 HH Annotated Anodyne Cn1nccc1Cn1ccc(C(F)(F)F)c(Oc2cc(Cl)cc(C#N)c2)c1=O ZINC000103265926 HH Annotated Mild Cn1ccnc1Cn1ccc(C(F)(F)F)c(Oc2cc(Cl)cc(C#N)c2)c1=O ZINC000103265928 HH Annotated Mild COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4[nH]3)cc2)c1O ZINC000103266489 HH Annotated Clean COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc(C)cs3)cc2)c1O ZINC000103266495 HH Annotated Clean COc1cccc(CNc2ccc(S(=O)(=O)Nc3ncc(C)s3)cc2)c1O ZINC000103266497 HH Annotated Clean COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc(C)c(C)s3)cc2)c1O ZINC000103266504 HH Annotated Clean CC(=O)OCCOCn1c(-c2cccs2)cc(-c2cccs2)c(C#N)c1=O ZINC000103267960 HH Annotated Mild COc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1OC ZINC000103268880 HH Annotated Anodyne C#CCCCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OCCCC#C)[C@@H]23)OCO5 ZINC000103269019 HH Annotated Mild O=C(Nc1ccc(F)c(-c2nc3cc(-c4cncnc4)cnc3[nH]2)c1)N1CCCC1 ZINC000103270907 HH Annotated Anodyne O=c1cc(-n2cc(COc3ccc(F)cc3)nn2)c2cc(Br)ccc2o1 ZINC000103271630 HH Annotated Anodyne COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)NC(=O)[C@H]1CCCN1C3 ZINC000103273891 HH Annotated Bother O=C(c1ccc[n+](Cc2ccccc2F)c1)N1CCN(c2ccccc2Cl)CC1 ZINC000103273924 HH Annotated Anodyne CCc1cc(C)cc(CC)c1-c1c(OC(=O)OC(C)C)n2n(c1=O)CCOCC2 ZINC000103274629 HH Annotated Anodyne CCc1cc(C)cc(CC)c1-c1c(OC(=O)N(CC)CC)n2n(c1=O)CCOCC2 ZINC000103274631 HH Annotated Anodyne O=C1N(Cc2ccccc2)C2=C[C@H](Cl)C=C2S(=O)(=O)N1Cc1ccccc1 ZINC000103274835 HH Annotated Reactive O=C1N(Cc2ccccc2)C2=C[C@@H](Cl)C=C2S(=O)(=O)N1Cc1ccccc1 ZINC000103274839 HH Annotated Reactive COC(=O)Cc1cc(OC)cc2c1C(=O)C[C@@H](CCCCC[C@@H](C)OC(C)=O)O2 ZINC000103275337 HH Annotated Anodyne COC(=O)Cc1cc(OC)cc2c1C(=O)C[C@H](CCCCC[C@@H](C)OC(C)=O)O2 ZINC000103275338 HH Annotated Anodyne COC(=O)Cc1cc(OC)cc2oc(CCCCC[C@@H](C)OC(C)=O)cc(=O)c12 ZINC000103275340 HH Annotated Anodyne COC(=O)Cc1cc(OC)cc2c1C(=O)C[C@@H](CCCCC[C@H](C)OC(C)=O)O2 ZINC000103275346 HH Annotated Anodyne COC(=O)Cc1cc(OC)cc2c1C(=O)C[C@H](CCCCC[C@H](C)OC(C)=O)O2 ZINC000103275350 HH Annotated Anodyne COC(=O)Cc1cc(OC)cc2oc(CCCCC[C@H](C)OC(C)=O)cc(=O)c12 ZINC000103275353 HH Annotated Anodyne COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)NC(=O)[C@@H]1CCCN1C3 ZINC000103275559 HH Annotated Bother CCOc1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(C)=O)n(C)n1 ZINC000103278794 HH Annotated Mild CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(C)=O)n(C)n1 ZINC000103278876 HH Annotated Mild CCOC(=O)CN(CCc1ccc(Br)cc1)Cc1ccc(OC)c(O)c1 ZINC000103278916 HH Annotated Anodyne O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1ccccc1Cl ZINC000103279148 HH Annotated Reactive CC(=O)n1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21 ZINC000103279516 HH Annotated Anodyne Cc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@@H]3Cl)nc12 ZINC000103280689 HH Annotated Reactive Cc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@@H]3Cl)nc12 ZINC000103280691 HH Annotated Reactive Cc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@H]3Cl)nc12 ZINC000103280693 HH Annotated Reactive Cc1cccc2sc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@H]3Cl)nc12 ZINC000103280695 HH Annotated Reactive O=C1CCCC2=C1[C@H](c1cc3ccccc3[nH]c1=O)NC(=S)N2c1ccccc1 ZINC000103281196 HH Annotated Mild O=C1CCCC2=C1[C@@H](c1cc3ccccc3[nH]c1=O)NC(=S)N2c1ccccc1 ZINC000103281199 HH Annotated Mild CCOP(=O)(CCn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1)OCC ZINC000103281599 HH Annotated Anodyne CCOP(=O)(CCCn1cc(Cn2cnc3cc(C)c(C)cc32)nn1)OCC ZINC000103281624 HH Annotated Anodyne Cc1ccc2sc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@@H]3Cl)nc2c1 ZINC000103282561 HH Annotated Reactive Cc1ccc2sc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@@H]3Cl)nc2c1 ZINC000103282563 HH Annotated Reactive Cc1ccc2sc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@H]3Cl)nc2c1 ZINC000103282566 HH Annotated Reactive Cc1ccc2sc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@H]3Cl)nc2c1 ZINC000103282568 HH Annotated Reactive Cc1ccc2nc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@@H]3Cl)sc2c1 ZINC000103282571 HH Annotated Reactive Cc1ccc2nc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@@H]3Cl)sc2c1 ZINC000103282573 HH Annotated Reactive Cc1ccc2nc(Nc3ncccc3C(=O)N3CCN[C@H](Cl)[C@H]3Cl)sc2c1 ZINC000103282575 HH Annotated Reactive Cc1ccc2nc(Nc3ncccc3C(=O)N3CCN[C@@H](Cl)[C@H]3Cl)sc2c1 ZINC000103282576 HH Annotated Reactive COc1ccc(Nc2nnc(-c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)o2)cc1 ZINC000103284630 HH Annotated Anodyne O=C(c1ccc(Oc2nccnc2N2CCCOCC2)cc1)c1nc2ccccc2[nH]1 ZINC000103285380 HH Annotated Anodyne CC(C)CN(Cc1cc(OS(C)(=O)=O)ccc1Cl)C(=O)/C=C/[C@@H](C)Cl ZINC000103286660 HH Annotated Reactive CC(C)CN(Cc1cc(OS(C)(=O)=O)ccc1Cl)C(=O)/C=C/[C@H](C)Cl ZINC000103286662 HH Annotated Reactive CC(C)(C)OC(=O)N1CCN(c2cccc3c2NC(=O)[C@H](c2ccccc2)N=C3)CC1 ZINC000103287174 HH Annotated Anodyne O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000103287741 HH Annotated Clean O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000103287743 HH Annotated Clean O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000103287746 HH Annotated Clean O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000103287749 HH Annotated Clean C[C@@]12CCCC(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)=C1C(=O)O[C@H]2c1ccoc1 ZINC000103288528 HH Annotated Reactive C/C(=N\NC(=O)/C(C#N)=C/c1cccnc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000103291516 HH Annotated Reactive CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC/C1=N\NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000103292357 HH Annotated Reactive Cc1ccnc(NC(=O)Cn2c(=O)sc3cc(C(=O)c4ccccc4)ccc32)c1 ZINC000103292381 HH Annotated Anodyne Cc1cccc(NC(=O)Cn2c(=O)sc3cc(C(=O)c4ccccc4)ccc32)n1 ZINC000103292383 HH Annotated Anodyne O=C(O[C@@H](Cn1nnc2ccccc21)C(=O)c1ccc(Cl)cc1)c1cccnc1 ZINC000103293223 HH Annotated Anodyne O=C(O[C@H](Cn1nnc2ccccc21)C(=O)c1ccc(Cl)cc1)c1cccnc1 ZINC000103293225 HH Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000103295073 HH Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000103295075 HH Annotated Anodyne CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000103295122 HH Annotated Anodyne CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000103295125 HH Annotated Anodyne Cc1ccnc(NC(=O)Cn2c(=O)sc3cc(C(=O)c4ccccc4F)ccc32)c1 ZINC000103296068 HH Annotated Anodyne Cc1cccc(NC(=O)Cn2c(=O)sc3cc(C(=O)c4ccccc4F)ccc32)n1 ZINC000103296074 HH Annotated Anodyne O=C(Cn1c(=O)sc2cc(C(=O)c3ccccc3Cl)ccc21)Nc1ccccn1 ZINC000103296089 HH Annotated Anodyne CC(=O)c1ccc(C(=O)NC[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3N(C)C2)cc1 ZINC000103297349 HH Annotated Clean CN(C)c1ccc(C(=O)NC[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3N(C)C2)cc1 ZINC000103297504 HH Annotated Clean Cc1ccc2c(=O)c3cccc(CC(=O)N/N=C/c4ccccc4O)c3oc2c1C ZINC000103299301 HH Annotated Reactive Cc1ccc2c(=O)c3cccc(CC(=O)N/N=C/c4ccc(O)cc4)c3oc2c1C ZINC000103299303 HH Annotated Reactive Cc1ccc2c(=O)c3cccc(CC(=O)N/N=C/c4ccc(O)c(O)c4)c3oc2c1C ZINC000103299320 HH Annotated Reactive O=[N+]([O-])c1cc(S(=O)(=O)NCc2cccs2)cc2c1Nc1ccccc1O2 ZINC000103299680 HH Annotated Bother O=C1CCCC2=C1[C@H](c1ccc(F)c(-c3cccnc3)c1)C1=C(CCS1(=O)=O)N2 ZINC000103302859 HH Annotated Mild O=C(c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)N1Cc2ccccc2C1 ZINC000103302981 HH Annotated Anodyne C[C@H](NC(=O)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccccc1 ZINC000103303011 HH Annotated Anodyne C[C@@H](NC(=O)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)c1ccccc1 ZINC000103303023 HH Annotated Anodyne FC(F)Oc1ccc(-c2nnc3cncc(CCN4Cc5ccccc5C4)n23)cc1 ZINC000103303078 HH Annotated Anodyne CO[C@@H](COc1cncc2nnc(-c3ccc(C#N)cc3)n12)c1ccc(F)c(F)c1 ZINC000103303106 HH Annotated Mild O=C(Nc1ccc(F)c(F)c1)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103303119 HH Annotated Anodyne Fc1ccc2c(c1)CCN2c1nnc2cncc(OCCc3ccc(F)c(F)c3)n12 ZINC000103303129 HH Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1-c1nnc2cncc(OCC(F)(F)F)n12 ZINC000103303401 HH Annotated Anodyne O=C1CCCC2=C1[C@H](c1ccc(F)c(C(F)(F)F)c1)C1=C(CCS1(=O)=O)N2 ZINC000103303482 HH Annotated Mild CC1(C)CC(O)=C/C(=N/CCN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1 ZINC000103528929 HH Annotated Mild CCOc1ccc(Br)cc1[C@@H]1/C(=C(\O)OC(C)C)C(C)=Nc2nnnn21 ZINC000103529683 HH Annotated Anodyne CCOc1ccc(Br)cc1[C@H]1/C(=C(\O)OC(C)C)C(C)=Nc2nnnn21 ZINC000103529689 HH Annotated Anodyne CCCOc1ccc(Br)cc1[C@@H]1/C(=C(\O)OCC)C(C)=Nc2nnnn21 ZINC000103529720 HH Annotated Anodyne CCCOc1ccc(Br)cc1[C@H]1/C(=C(\O)OCC)C(C)=Nc2nnnn21 ZINC000103529726 HH Annotated Anodyne CCOC(=O)C(/C=N/c1cc(-c2cccc(Br)c2)[nH]n1)=C(\O)OCC ZINC000103530387 HH Annotated Mild CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC)[C@H]2c1ccc(C(=O)OC)cc1 ZINC000103530927 HH Annotated Anodyne CCC[C@@H]1c2[cH-]cnc2C=C[C@H]1C(=O)CC(=O)CCc1cc(CNC)c(O)c(OC)c1 ZINC000103531659 HH Annotated Clean in-vitro biogenic CCC[C@@H]1c2[cH-]cnc2C=C[C@@H]1C(=O)[C@@H](CCO)C(=O)CCc1ccc(O)c(OC)c1 ZINC000103531674 HH Annotated Anodyne in-vitro biogenic CCC[C@@H]1c2c(nc[c-]2CO)C=C[C@H]1C(=O)CC(=O)CCc1ccc(O)c(OC)c1 ZINC000103531686 HH Annotated Anodyne in-vitro biogenic CCC/N=c1\c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(O)oc2ccccc12 ZINC000103532238 HH Annotated Anodyne O=S1(=O)C(/C=N/C[C@@H]2CCCO2)=C(O)c2sccc2N1Cc1ccccc1 ZINC000103536941 HH Annotated Mild O=S1(=O)C(/C=N/C[C@H]2CCCO2)=C(O)c2sccc2N1Cc1ccccc1 ZINC000103536950 HH Annotated Mild O=S1(=O)C(/C=N/C[C@@H]2CCCO2)=C(O)c2sccc2N1Cc1ccc(F)cc1 ZINC000103536972 HH Annotated Mild O=S1(=O)C(/C=N/C[C@H]2CCCO2)=C(O)c2sccc2N1Cc1ccc(F)cc1 ZINC000103536983 HH Annotated Mild COCCC/N=C/C1=C(O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O ZINC000103537327 HH Annotated Mild C=CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(Br)ccc1OC ZINC000103538475 HH Annotated Mild C=CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(Br)ccc1OC ZINC000103538483 HH Annotated Mild C=CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000103539331 HH Annotated Mild C=CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c(Br)c1 ZINC000103539336 HH Annotated Mild CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103539743 HH Annotated Anodyne CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103539747 HH Annotated Anodyne CCOc1cc([C@@H]2/C(=C(\O)OC)C(C)=Nc3nnnn32)ccc1OCc1ccccc1 ZINC000103541582 HH Annotated Anodyne CCOc1cc([C@H]2/C(=C(\O)OC)C(C)=Nc3nnnn32)ccc1OCc1ccccc1 ZINC000103541584 HH Annotated Anodyne CCCCCCCC[C@H](CCC/C(=C/C(=O)O)CN=C(N)N)Cc1c[cH-]c(=O)nc1 ZINC000103564030 HH Annotated Mild in-vitro biogenic Cc1ccc2nc3c(O)n(CCCN4CCN(C5CCCCC5)CC4)cnc-3c2c1 ZINC000103591107 HH Annotated Anodyne O=[S@]1OC[C@@H]2[C@H](CO1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000103600789 HH Annotated Mild CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(C)c1)C(=O)N(CC)CC ZINC000103623069 HH Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1cccc(C)c1)C(=O)N(CC)CC ZINC000103623073 HH Annotated Anodyne CCCCNC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C ZINC000103623244 HH Annotated Anodyne CCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C ZINC000103623308 HH Annotated Anodyne CCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(Cl)c(C)c1 ZINC000103623343 HH Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@@H](C)/C=C\C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000103625557 HH Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@@H](C)/C=C\C=C\CC1)O[C@@](O)([C@H]1CSC(=O)N1)C2 ZINC000103625562 HH Annotated Anodyne CCCO/C(O)=C1/C(C)=Nc2nnnn2[C@H]1c1cc(Br)ccc1OCC ZINC000103634029 HH Annotated Anodyne CCCO/C(O)=C1/C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OCC ZINC000103634034 HH Annotated Anodyne Cc1cc(O)n2nc(CN(C(=O)c3ccc(F)cc3)c3ccc(Cl)cc3)nc2n1 ZINC000103643819 HH Annotated Anodyne COc1ccc([C@@H]2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2C)cc1 ZINC000103659712 HH Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2C)cc1 ZINC000103659715 HH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000103671086 HH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000103671090 HH Annotated Mild COc1ccccc1C/N=C(\O)CSc1nc2nncc-2c(O)n1-c1ccccc1 ZINC000103671638 HH Annotated Mild CN(C)c1ccc([C@@H]2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2C)cc1 ZINC000103723236 HH Annotated Mild CN(C)c1ccc([C@H]2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2C)cc1 ZINC000103723239 HH Annotated Mild COc1ccc(C2=CNN/C2=C2\C=CC(OCc3ccccc3F)=CC2=O)cc1OC ZINC000103756054 HH Annotated Mild COc1ccc(C2=CNN/C2=C2\C=CC(OCc3ccc(F)cc3)=CC2=O)cc1OC ZINC000103757057 HH Annotated Mild CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1 ZINC000103766397 HH Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1 ZINC000103766404 HH Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 ZINC000103786615 HH Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000103786619 HH Annotated Mild COc1ccccc1C1=CNN/C1=C1\C=CC(OCc2ccc([N+](=O)[O-])cc2)=CC1=O ZINC000103805999 HH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccs2)cc1 ZINC000103823002 HH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)cc1 ZINC000103823005 HH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccs2)cc1 ZINC000103823010 HH Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccs2)cc1 ZINC000103823012 HH Annotated Mild O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)c1ccc(Br)cc1 ZINC000103827415 HH Annotated Anodyne CO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000103871011 HH Annotated Anodyne CO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000103871016 HH Annotated Anodyne C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccc(N(CC)CC)cc1 ZINC000103876542 HH Annotated Mild C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000103876547 HH Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc3ccccc13)C1=C(O)c3ccccc3C1=N2 ZINC000103887813 HH Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc3ccccc13)C1=C(O)c3ccccc3C1=N2 ZINC000103887817 HH Annotated Anodyne CC[C@H](Sc1nc2nncc-2c(O)n1-c1ccccc1Cl)C(=O)N1CCCC1 ZINC000103893267 HH Annotated Anodyne CC[C@@H](Sc1nc2nncc-2c(O)n1-c1ccccc1Cl)C(=O)N1CCCC1 ZINC000103893274 HH Annotated Anodyne Cc1cccc(NC(=O)C2CCC(C/N=c3/c(N4CCCCC4)c(O)c3=O)CC2)c1C ZINC000103902732 HH Annotated Anodyne O=C1C(Br)=CC(Br)=C/C1=C\Nc1ccc2c(c1)OCCO2 ZINC000103916443 HH Annotated Mild COc1ccc([C@@H]2C/C(=C3/C=CC=CC3=O)NN2C(=O)c2ccccc2)cc1OC ZINC000103918254 HH Annotated Mild COc1ccc([C@H]2C/C(=C3/C=CC=CC3=O)NN2C(=O)c2ccccc2)cc1OC ZINC000103918259 HH Annotated Mild Cc1c(NC2=NN/C(=C3/C=Nc4ccccc43)CS2)c(=O)n(-c2ccccc2)n1C ZINC000103918514 HH Annotated Anodyne CCOc1cc(-c2c3c(C)[nH]n(-c4ccc(F)cc4)c-3nc(=O)c2C#N)ccc1O ZINC000103929335 HH Annotated Mild Cc1cc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000103971591 HH Annotated Anodyne Cc1cc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000103971595 HH Annotated Anodyne C=CCN(C(=O)CSc1nc2nncc-2c(O)n1-c1ccccc1)c1ccccc1 ZINC000103976181 HH Annotated Mild CCc1ccc(-n2c(SC[C@@H]3COc4ccccc4O3)nc3nncc-3c2O)cc1 ZINC000103976819 HH Annotated Anodyne CCc1ccc(-n2c(SC[C@H]3COc4ccccc4O3)nc3nncc-3c2O)cc1 ZINC000103976824 HH Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000103992825 HH Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000103992830 HH Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000103992886 HH Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000103992890 HH Annotated Mild CC1=Nc2ccccc2/C1=C/NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000103993150 HH Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC)ccc1O ZINC000103994878 HH Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCOC)ccc1O ZINC000103994886 HH Annotated Anodyne COC1=CC(=O)/C(=C2\C[C@@H](c3ccc(OC)cc3)N(C(=O)c3ccccc3)N2)C=C1 ZINC000104001667 HH Annotated Mild COC1=CC(=O)/C(=C2\C[C@H](c3ccc(OC)cc3)N(C(=O)c3ccccc3)N2)C=C1 ZINC000104001670 HH Annotated Mild CCOc1ccc(NC(=O)C2=CC3=N[C@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)cc1 ZINC000104009422 HH Annotated Anodyne CCOc1ccc(NC(=O)C2=CC3=N[C@@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)cc1 ZINC000104009427 HH Annotated Anodyne CCOc1ccc(NC(=O)C2=CC3=N[C@H](c4ccco4)C[C@@H](C(F)(F)F)N3N2)cc1 ZINC000104009431 HH Annotated Anodyne CCOc1ccc(NC(=O)C2=CC3=N[C@@H](c4ccco4)C[C@@H](C(F)(F)F)N3N2)cc1 ZINC000104009436 HH Annotated Anodyne C=CCN1C(=O)/C(=N\Nc2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21 ZINC000104011750 HH Annotated Mild O=C(Nc1ccc2c(c1)CCC2)C1=CNN2C1=N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000104012765 HH Annotated Anodyne O=C(Nc1ccc2c(c1)CCC2)C1=CNN2C1=N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000104012771 HH Annotated Anodyne O=C(Nc1ccc2c(c1)CCC2)C1=CNN2C1=N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000104012777 HH Annotated Anodyne O=C(Nc1ccc2c(c1)CCC2)C1=CNN2C1=N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000104012783 HH Annotated Anodyne O=C(NCc1cccc(Cl)c1)C1=CNN2C1=N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000104012854 HH Annotated Anodyne O=C(NCc1cccc(Cl)c1)C1=CNN2C1=N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000104012860 HH Annotated Anodyne O=C(NCc1cccc(Cl)c1)C1=CNN2C1=N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000104012865 HH Annotated Anodyne O=C(NCc1cccc(Cl)c1)C1=CNN2C1=N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000104012872 HH Annotated Anodyne CC(C)c1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000104016881 HH Annotated Anodyne CC(C)c1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000104016887 HH Annotated Anodyne C=C(C)COC1=CC(=O)/C(=C2\NC(N)=NC=C2c2ccc(Br)cc2)C=C1 ZINC000104019671 HH Annotated Mild CCN1C(SCC(=O)N2CCCc3ccccc32)=NN/C1=C1/C=Nc2ccccc21 ZINC000104023344 HH Annotated Anodyne CCN1C(SCC(=O)N2CCc3ccccc32)=NN/C1=C1/C=Nc2ccccc21 ZINC000104023354 HH Annotated Anodyne O=C(CN1/C(=C(/O)c2ccccc2)C(=O)c2ccccc2S1(=O)=O)c1ccccc1 ZINC000104025201 HH Annotated Mild CN1C(SCC(=O)N2CCCc3ccccc32)=NN/C1=C1/C=Nc2ccccc21 ZINC000104037054 HH Annotated Anodyne CCOc1ccc([C@H]2SCC(=O)N=C3C2=C(C)NN3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000104045596 HH Annotated Anodyne CCOc1ccc([C@@H]2SCC(=O)N=C3C2=C(C)NN3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000104045600 HH Annotated Anodyne CCOc1ccc([C@H]2SCC(=O)N=C3C2=C(C)NN3[C@H]2CCOC(C)(C)C2)cc1 ZINC000104045606 HH Annotated Anodyne CCOc1ccc([C@@H]2SCC(=O)N=C3C2=C(C)NN3[C@H]2CCOC(C)(C)C2)cc1 ZINC000104045612 HH Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(Br)ccc1F ZINC000104059932 HH Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1F ZINC000104059937 HH Annotated Anodyne CCOc1ccc([C@@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3nnnn32)cc1OC ZINC000104060241 HH Annotated Anodyne CCOc1ccc([C@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3nnnn32)cc1OC ZINC000104060244 HH Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104072864 HH Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104072869 HH Annotated Mild Cc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1Cl ZINC000104079839 HH Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1Cl ZINC000104079842 HH Annotated Anodyne CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000104115493 HH Annotated Anodyne CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000104115497 HH Annotated Anodyne COc1cc2nc(=S)n3[nH]c(CCn4c(C)nc5ccccc54)nc3c2cc1OC ZINC000104198036 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267811 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267816 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267821 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267825 HH Annotated Anodyne CCOc1ccc(CN2CCN(Cc3ccc4cc(F)ccc4n3)C[C@H]2CCO)cc1 ZINC000104302956 HH Annotated Anodyne C1=CC=C2NCCSCC/N=C3\C=CC=CC=C3NCCSCC/N=C\2C=C1 ZINC000104310812 HH Annotated Clean CCN(CC)CCSc1nc(=O)c(Cc2ccccc2)c(O)n1-c1ccccc1 ZINC000104313819 HH Annotated Anodyne C1=N\CCNCC/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 ZINC000104322042 HH Annotated Anodyne C1=N/CCNCC/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 ZINC000104322047 HH Annotated Anodyne COc1ccc(CN2CCOc3ccc(CN4CCCC[C@H]4CO)cc3C2)c(F)c1 ZINC000104334367 HH Annotated Anodyne COC(=O)[C@@]1(OC(C)=O)C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000104369513 HH Annotated Anodyne in-man COC(=O)[C@]1(OC(C)=O)C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000104369516 HH Annotated Anodyne in-man CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 ZINC000104551701 HH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 ZINC000104551708 HH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 ZINC000104551714 HH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 ZINC000104551720 HH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104557031 HH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104557036 HH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104557041 HH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104557046 HH Annotated Anodyne C/C(=N\CCCN(C)C)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O ZINC000104695954 HH Annotated Mild Cc1ccc(-n2nc(C)c(/C=N/c3ccc(C(=O)N4CCOCC4)cc3)c2O)cc1C ZINC000104696293 HH Annotated Mild Cc1ccc(-n2nc(C)c(/C=N/c3ccc(S(=O)(=O)N(C)C)cc3)c2O)c(C)c1 ZINC000104700288 HH Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C)CCO)n1 ZINC000104928167 HH Annotated Mild COc1cccc(CNC(=O)[C@H]2[C@@H](c3nc(O)c4ccccc4n3)[C@H]3C=C[C@H]2C3)c1 ZINC000104997714 HH Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2[C@@H](c3nc(O)c4ccccc4n3)[C@H]3C=C[C@H]2C3)c1 ZINC000104997717 HH Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H]1CCCC[C@H]1N2 ZINC000105236901 HH Annotated Anodyne CO[C@@H]1[C@H]2c3ccccc3[C@@](C#N)(Cc3ccc4c(c32)OCO4)N1C(=O)c1ccccc1 ZINC000105483524 HH Annotated Mild CO[C@@H]1[C@@H]2c3cc4c(cc3C[C@](C#N)(c3ccccc32)N1C(=O)c1ccccc1)OCO4 ZINC000105483532 HH Annotated Mild C[C@@H]1c2ccc3c(c2[C@@]2(O)C[C@@H]4CC[C@@H]1N2C4)C[C@H]1[C@H]3CC(=O)[C@H]2C[C@@H](O)CC[C@@]21C ZINC000105488523 HH Annotated Anodyne C=C(C)[C@H]1C[C@@H]2C(C)=C(OC(C)=O)[C@@H]1n1c(=O)c3cc4ccccc4cc3c(=O)n12 ZINC000105493187 HH Annotated Mild Cc1ccc(NC(=O)C(=O)[C@@H]2C(=O)C3=C(CC2(C)C)N[C@H]2C=CC=C[C@H]2S3)c(C)c1 ZINC000105505360 HH Annotated Mild Cc1ccc(NC(=O)C(=O)[C@@H]2C(=O)C3=C(CC2(C)C)N[C@@H]2C=CC=C[C@H]2S3)c(C)c1 ZINC000105505361 HH Annotated Mild COc1cc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@H]2C)OCO4)cc(OC)c1O ZINC000105524131 HH Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@@H]2C)OCO4)cc(OC)c1O ZINC000105524134 HH Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3O[C@@H](NN=C(C)C)[C@H]2C)OCO4)cc(OC)c1O ZINC000105524180 HH Annotated Mild COc1cc([C@@H]2c3cc4c(cc3O[C@@H](NN=C(C)C)[C@@H]2C)OCO4)cc(OC)c1O ZINC000105524183 HH Annotated Mild C/C1=C/C[C@H]2C(C(C)C)=CC(=O)O[C@]2(C)CC/C(C)=C2/OC(=O)[C@@H]3[C@H]2[C@@H]1O[C@]3(C)O ZINC000105579523 HH Annotated Anodyne Cc1ccc(CCNC(=O)c2cnn3c(O)c(Cc4ccccc4F)c(C)nc23)cc1 ZINC000108774715 HH Annotated Anodyne CCCCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000109206706 HH Annotated Anodyne CCCCCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 ZINC000109206709 HH Annotated Anodyne CCCCCCN1C(=O)C(=O)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000109206712 HH Annotated Anodyne COCCN1C(=O)C(=O)[C@H](C(=O)c2ccco2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000110615385 HH Annotated Anodyne COCCN1C(=O)C(=O)[C@H](C(=O)c2ccco2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000110615389 HH Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000110651284 HH Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000110651288 HH Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000110651291 HH Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000110651294 HH Annotated Anodyne O=C1C(=O)N(c2ncccn2)[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)c1ccco1 ZINC000110757310 HH Annotated Anodyne O=C1C(=O)N(c2ncccn2)[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)c1ccco1 ZINC000110757311 HH Annotated Anodyne O=C1C(=O)N(c2ncccn2)[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)c1ccco1 ZINC000110757315 HH Annotated Anodyne O=C1C(=O)N(c2ncccn2)[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)c1ccco1 ZINC000110757320 HH Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 ZINC000110903693 HH Annotated Anodyne CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 ZINC000110904010 HH Annotated Anodyne CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 ZINC000110904015 HH Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N\c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000111386976 HH Annotated Clean Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000111386978 HH Annotated Clean CO[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)C2=C1C(=O)C([C@@H](C)COC(C)=O)=C(O)C2=O ZINC000111965716 HH Annotated Mild C[C@@H](Cc1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1)NC(=O)c1cncs1 ZINC000113238831 HH Annotated Mild C[C@H](Cc1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1)NC(=O)c1cncs1 ZINC000113238833 HH Annotated Mild COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(NC(=O)OCCN)ccc4c3c2)c1 ZINC000113262028 HH Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CCC4(CCCC4)C3)n2)cc1 ZINC000113409574 HH Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CCC4(CCCC4)C3)n2)cc1 ZINC000113409576 HH Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(N3CCC4(CCCC4)C3)nc2)cc1 ZINC000113411844 HH Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(N3CCC4(CCCC4)C3)nc2)cc1 ZINC000113411847 HH Annotated Mild COc1ccccc1CNc1ncc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cn1 ZINC000113411879 HH Annotated Mild COc1ccccc1CNc1ncc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cn1 ZINC000113411881 HH Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N(C)CC3CCCCC3)n2)cc1 ZINC000113412250 HH Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N(C)CC3CCCCC3)n2)cc1 ZINC000113412253 HH Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)c3c(C)noc3N)cc2)cc1 ZINC000113413789 HH Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)c3c(C)noc3N)cc2)cc1 ZINC000113413792 HH Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(OCc3ccccc3F)nc2)cc1 ZINC000113413925 HH Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(OCc3ccccc3F)nc2)cc1 ZINC000113413927 HH Annotated Mild COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCN4CCCC4)c(C)c3)nc2c1 ZINC000113632440 HH Annotated Anodyne in-vitro O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)[C@@H]1CC[C@@H](N2CCCNC2=O)CC1 ZINC000113698416 HH Annotated Anodyne O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)[C@@H]1CC[C@@H](N2CCOC2=O)CC1 ZINC000113698495 HH Annotated Anodyne CN1CCN([C@@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O ZINC000113699364 HH Annotated Anodyne CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1 ZINC000113836304 HH Annotated Anodyne in-vitro CN1C(=O)C(C)(C)[C@@](C)(c2cc(Nc3cc(F)c(C#N)cc3F)ccc2F)N=C1N ZINC000114109318 HH Annotated Mild CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(-c3ccsc3)cc12)c1ccccc1 ZINC000114344527 HH Annotated Anodyne CNC[C@H](Nc1ncnc2c(C(N)=O)cc(-c3ccsc3)cc12)c1ccccc1 ZINC000114344529 HH Annotated Anodyne N#CCc1ccnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1 ZINC000114344654 HH Annotated Mild C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2cc(C#N)ccn2)c1 ZINC000114344902 HH Annotated Mild C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@@H]2CC2(C)C)c1 ZINC000114346337 HH Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@H]2CC2(C)C)c1 ZINC000114346341 HH Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)CC(F)(F)F)c1 ZINC000114347006 HH Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)CC(F)(F)F)c1 ZINC000114347008 HH Annotated Anodyne NC(=O)c1cccc2c(NC[C@H](N)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12 ZINC000114347480 HH Annotated Anodyne NC(=O)c1cccc2c(NC[C@@H](N)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12 ZINC000114347482 HH Annotated Anodyne CC[C@@H](Nc1ncnc2c(C(N)=O)cc(-c3cnn(C)c3)cc12)c1cccc(F)c1 ZINC000114349344 HH Annotated Anodyne CC[C@H](Nc1ncnc2c(C(N)=O)cc(-c3cnn(C)c3)cc12)c1cccc(F)c1 ZINC000114349346 HH Annotated Anodyne CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(Cl)c(Cl)c1 ZINC000114350247 HH Annotated Anodyne CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(Cl)c(Cl)c1 ZINC000114350248 HH Annotated Anodyne O=C1NCCN1CCNCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000114592180 HH Annotated Anodyne O=C1NCCN1CCNCc1ccnc(-c2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC000114592479 HH Annotated Anodyne N#Cc1ccc(Oc2ccc(-c3cccc(CNCCN4CCNC4=O)n3)cc2)cc1 ZINC000114592622 HH Annotated Anodyne O=C1NCCN1CCNCCc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000114592736 HH Annotated Anodyne O=C(NO)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114709970 HH Annotated Anodyne N[C@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1 ZINC000114710442 HH Annotated Anodyne N[C@@H]1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)C1 ZINC000114710444 HH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](C(=O)N(C)C)C3)cc12 ZINC000114711163 HH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](C(=O)N(C)C)C3)cc12 ZINC000114711233 HH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCN(C(=O)N(C)C)CC3)cc12 ZINC000114714251 HH Annotated Anodyne CNC(=O)C1CCC(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)CC1 ZINC000114714734 HH Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@@H]4CC2C[C@H](C4)C3)c1=O ZINC000114764713 HH Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@@H]4CC2C[C@@H](C4)C3)c1=O ZINC000114764716 HH Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@H]4CC2C[C@@H](C4)C3)c1=O ZINC000114764718 HH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@H](C(=O)N(C)C)C3)cc12 ZINC000114765098 HH Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@@H](C(=O)N(C)C)C3)cc12 ZINC000114765198 HH Annotated Anodyne Cc1ccccc1-c1c(CSc2ncnc3[nH]cnc23)nc2cccc(C)n2c1=O ZINC000114790292 HH Annotated Anodyne Cc1c(Cl)nc(OCCCc2ccc3ncccc3n2)nc1NCc1cnn(C)c1 ZINC000114803993 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@H]1c1c(C(F)(F)F)n[nH]c1C2 ZINC000114844969 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@@H]1Cc1[nH]nc(C(F)(F)F)c12 ZINC000114844971 HH Annotated Anodyne COc1ccccc1-c1cn2c(C(=O)N(Cc3cnn(C)c3)C(C)C)csc2n1 ZINC000011661212 HH Annotated Anodyne CS(=O)(=O)c1ncc(CN2CCC(c3ccncc3)CC2)n1CC1CCCCC1 ZINC000011663792 HH Annotated Anodyne O=C(CCc1cn2ccccc2n1)N[C@@H]1CCCc2c1cnn2-c1ccccc1F ZINC000011664687 HH Annotated Anodyne O=C(CCc1cn2ccccc2n1)N[C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000011664688 HH Annotated Anodyne CN(C)c1cccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c1 ZINC000011665169 HH Annotated Anodyne CN(C)c1cccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c1 ZINC000011665170 HH Annotated Anodyne Cc1c(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cnn1C ZINC000011665384 HH Annotated Anodyne Cc1ccc(OCc2cc(C(=O)N3CCC(Oc4cccnc4)CC3)no2)cc1C ZINC000011668121 HH Annotated Anodyne C[C@H](O)[C@@H](CCc1cccc2oc(-c3ccc(Cl)cc3)nc12)n1cnc(C(N)=O)c1 ZINC000011687712 HH Annotated Anodyne CC(C)c1nc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)cs1 ZINC000011753437 HH Annotated Anodyne CC(C)c1nc(CNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)cs1 ZINC000011753438 HH Annotated Anodyne Cc1nnc(-c2cccc(NC(=O)C3CCN(C(=O)CC(F)(F)F)CC3)c2)s1 ZINC000011763601 HH Annotated Anodyne C[C@@]1(C2CCN(C(=O)CC3CCCCC3)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000011788710 HH Annotated Anodyne C[C@]1(C2CCN(C(=O)CC3CCCCC3)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000011788711 HH Annotated Anodyne COc1ccc(/C=C/C(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4ncccn4)c3O2)cc1 ZINC000011788936 HH Annotated Anodyne COc1ccc(/C=C/C(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ncccn4)c3O2)cc1 ZINC000011788937 HH Annotated Anodyne COc1ccc(CC2=NO[C@@H](C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)C2)cc1 ZINC000011789792 HH Annotated Anodyne COc1ccc(CC2=NO[C@H](C(=O)N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)C2)cc1 ZINC000011789793 HH Annotated Anodyne COc1ccc(CC2=NO[C@@H](C(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)C2)cc1 ZINC000011789794 HH Annotated Anodyne COc1ccc(CC2=NO[C@H](C(=O)N3CCC[C@H](c4nc5ccccc5[nH]4)C3)C2)cc1 ZINC000011789795 HH Annotated Anodyne COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCc3cccs3)C2)cc1OC ZINC000011814637 HH Annotated Anodyne COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCc3cccs3)C2)cc1OC ZINC000011814639 HH Annotated Anodyne COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2c(C)cc(=O)oc2C)cc1 ZINC000011815285 HH Annotated Anodyne COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2c(C)cc(=O)oc2C)cc1 ZINC000011815286 HH Annotated Anodyne COc1ccccc1[C@@H]1CN(CCNC(=O)c2cscn2)Cc2ccccc2O1 ZINC000011815767 HH Annotated Anodyne COc1ccccc1[C@H]1CN(CCNC(=O)c2cscn2)Cc2ccccc2O1 ZINC000011815768 HH Annotated Anodyne Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)C1=CC(=O)CC(C)(C)O1 ZINC000011817886 HH Annotated Mild Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)C1=CC(=O)CC(C)(C)O1 ZINC000011817887 HH Annotated Mild CN(Cc1ccnc2ccccc12)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000011821340 HH Annotated Anodyne CN(Cc1ccnc2ccccc12)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000011821341 HH Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NCCCc2ccncc2)c(C)c1 ZINC000011838714 HH Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)NCCCc2ccncc2)c(C)c1 ZINC000011838717 HH Annotated Anodyne CCc1nc2cc(NC(C)=O)cc(C(=O)N3CCC[C@@H](C)C3)c2n1Cc1cccnc1 ZINC000011839530 HH Annotated Anodyne CCc1nc2cc(NC(C)=O)cc(C(=O)N3CCC[C@H](C)C3)c2n1Cc1cccnc1 ZINC000011839532 HH Annotated Anodyne COc1ccc(CN2CCC(CO)(Cc3ccccc3)CC2)cc1Cn1cccn1 ZINC000011873143 HH Annotated Anodyne CCCn1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3)CC2)c(C)n1 ZINC000011879871 HH Annotated Anodyne C[C@H]1CN(Cc2ccc3c(c2)CN(Cc2ccc4c(c2)CCO4)CCO3)C[C@@H](C)O1 ZINC000011909708 HH Annotated Anodyne Cc1ccsc1C(=O)NCc1c(C)ncc2c1CCN(C(=O)[C@H]1C[C@@H]3C=C[C@H]1C3)C2 ZINC000011909803 HH Annotated Anodyne O=C(c1[nH]nc2c1CCCC2)N1CCOc2ccc([C@@H](O)C3CCCCC3)cc2C1 ZINC000011911637 HH Annotated Anodyne O=C(c1[nH]nc2c1CCCC2)N1CCOc2ccc([C@H](O)C3CCCCC3)cc2C1 ZINC000011911638 HH Annotated Anodyne COc1ccc(F)c(CN2CCOc3ccc(CN4CCCC[C@@H]4CO)cc3C2)c1 ZINC000011964221 HH Annotated Anodyne CSc1ncccc1C(=O)NC[C@@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1 ZINC000011966129 HH Annotated Anodyne CSc1ncccc1C(=O)NC[C@H]1Cc2cc(-c3cnccn3)cc(Cl)c2O1 ZINC000011966131 HH Annotated Anodyne CC(C)Oc1ccc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)cc1 ZINC000011970740 HH Annotated Anodyne CC(C)Oc1ccc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)cc1 ZINC000011970746 HH Annotated Anodyne O=C(NC[C@@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)c1cnsn1 ZINC000011970821 HH Annotated Anodyne O=C(NC[C@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1)c1cnsn1 ZINC000011970829 HH Annotated Anodyne COc1cc(C[C@@]2(CCC(=O)NCc3cc(F)ccc3C)CCC(=O)N2)ccc1F ZINC000011971035 HH Annotated Anodyne COc1cc(C[C@]2(CCC(=O)NCc3cc(F)ccc3C)CCC(=O)N2)ccc1F ZINC000011971042 HH Annotated Anodyne O=C(NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)c1cnn(-c2ccccc2)c1 ZINC000011973738 HH Annotated Anodyne O=C(NC[C@H]1Cc2cc(F)cc(-c3cccnc3)c2O1)c1cnn(-c2ccccc2)c1 ZINC000011973750 HH Annotated Anodyne Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)Cc2ccccc2C)C3)n1 ZINC000011977539 HH Annotated Anodyne Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cc2ccccc2C)C3)n1 ZINC000011977547 HH Annotated Anodyne COc1cc(-c2ccc(C)cc2)cc2c1OCCN(C(=O)CCn1ccc(C)n1)C2 ZINC000011995942 HH Annotated Anodyne CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@H]2CCCCN2C)C3)c1 ZINC000011995945 HH Annotated Anodyne CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@@H]2CCCCN2C)C3)c1 ZINC000011995946 HH Annotated Anodyne COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2cccnc2)O3)c1 ZINC000011996121 HH Annotated Anodyne COC(=O)c1cccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2cccnc2)O3)c1 ZINC000011996122 HH Annotated Anodyne CC(=O)Nc1ccccc1-c1nc(CNC(=O)c2cccc(-n3cccn3)c2)c(C)o1 ZINC000011996430 HH Annotated Anodyne O[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NC[C@H]4CCCOC4)n3)c(Cl)cn2)CC1 ZINC000115454804 HH Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115456283 HH Annotated Anodyne O[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115456401 HH Annotated Anodyne O[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NC[C@@H]4CCCOC4)n3)c(Cl)cn2)CC1 ZINC000115456667 HH Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NC[C@H]4CCCOC4)n3)c(Cl)cn2)CC1 ZINC000115457116 HH Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NC[C@@H]4CCCOC4)n3)c(Cl)cn2)CC1 ZINC000115457672 HH Annotated Anodyne CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2F)CC1 ZINC000115624017 HH Annotated Anodyne CCNc1nc(-c2ccc(C3CCN(CC)CC3)c(F)c2)cc2ncn(C)c(=O)c12 ZINC000115624051 HH Annotated Anodyne Cc1cc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)ccc1C1CCN(C)CC1 ZINC000115624413 HH Annotated Anodyne Cn1cnc2cc(-c3ccc(CCN4CCCCC4)cc3)nc(NC3CC3)c2c1=O ZINC000115624476 HH Annotated Anodyne CC(C)Nc1nc(-c2ccc(C3CCN(C)CC3)c(F)c2)cc2ncn(C)c(=O)c12 ZINC000115625374 HH Annotated Anodyne CC(C)Nc1nc(-c2ccc(CCN3CCCCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115625532 HH Annotated Anodyne Cc1nc(-c2cc3cc(-c4ccnc(C(=O)NCc5ccncc5)c4)ccc3[nH]2)no1 ZINC000115831406 HH Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccccn5)[nH]c4C)ccc3[nH]2)n1 ZINC000115831629 HH Annotated Anodyne CCOC(=O)c1[nH]c2ccc(-c3[nH]c(C(=O)NCc4ccncc4)nc3C)cc2c1F ZINC000115832484 HH Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cccs5)nn4C)ccc3[nH]2)n1 ZINC000115832523 HH Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5nccs5)[nH]c4C)ccc3[nH]2)n1 ZINC000115832968 HH Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5cccnc5)[nH]c4C)ccc3[nH]2)n1 ZINC000115833573 HH Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NC[C@@H]5CCCCO5)[nH]c4C)ccc3[nH]2)n1 ZINC000115833849 HH Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NC[C@H]5CCCCO5)[nH]c4C)ccc3[nH]2)n1 ZINC000115833850 HH Annotated Anodyne Cc1noc(-c2cc3cc(-c4ccnc(C(=O)NCc5ccncc5)c4)ccc3[nH]2)n1 ZINC000115834057 HH Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccccc5)nn4C)ccc3[nH]2)n1 ZINC000115834106 HH Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccoc5)[nH]c4C)ccc3[nH]2)n1 ZINC000115836036 HH Annotated Anodyne CC1(C)c2[nH]nc(Nc3cc(C#N)ccn3)c2CN1C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000115987596 HH Annotated Mild CC1(C)c2[nH]nc(Nc3cc(C#N)ccn3)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000115987599 HH Annotated Mild O=C1O[C@@H]2CCCC[C@@H]2N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116184365 HH Annotated Anodyne O=C1OC[C@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1 ZINC000116186182 HH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3Cl)c2n1 ZINC000116186243 HH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(Cl)c3)c2n1 ZINC000116186824 HH Annotated Anodyne O=C1OC[C@H](c2ccccc2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116189252 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)F)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000116585700 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)F)c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000116585702 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)F)c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000116585705 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(OC(F)F)c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000116585707 HH Annotated Anodyne Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccc(F)c4)C[C@H]3C2)n1 ZINC000116821579 HH Annotated Anodyne Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccc(F)c4)C[C@@H]3C2)n1 ZINC000116821580 HH Annotated Anodyne Cc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccc(F)c4)C[C@H]3C2)n1 ZINC000116821582 HH Annotated Anodyne O=C(c1ccccc1-c1cccnc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116822541 HH Annotated Anodyne O=C(c1ccccc1-c1cccnc1)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116822544 HH Annotated Anodyne O=C(c1ccccc1-c1cccnc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 ZINC000116822546 HH Annotated Anodyne COc1ccc(C(C)(C)C)cc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116823149 HH Annotated Anodyne COc1ccc(C(C)(C)C)cc1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116823151 HH Annotated Anodyne COc1ccc(C(C)(C)C)cc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 ZINC000116823153 HH Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116823545 HH Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116823548 HH Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 ZINC000116823550 HH Annotated Anodyne O=C(c1ccccc1-n1cccc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116823793 HH Annotated Anodyne O=C(c1ccccc1-n1cccc1)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116823795 HH Annotated Anodyne O=C(c1ccccc1-n1cccc1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 ZINC000116823796 HH Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5c4-c4ccccc4C5)C[C@H]3C2)n1 ZINC000116824075 HH Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5c4-c4ccccc4C5)C[C@@H]3C2)n1 ZINC000116824077 HH Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc5c4-c4ccccc4C5)C[C@H]3C2)n1 ZINC000116824079 HH Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1 ZINC000116824401 HH Annotated Anodyne O=C(c1ccccc1Br)N1CC[C@@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 ZINC000116825021 HH Annotated Anodyne O=C(c1ccccc1Br)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 ZINC000116825023 HH Annotated Anodyne COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccc(C)cc4)C[C@H]3C2)n1 ZINC000116826367 HH Annotated Anodyne COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccc(C)cc4)C[C@@H]3C2)n1 ZINC000116826369 HH Annotated Anodyne COc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ccc(C)cc4)C[C@H]3C2)n1 ZINC000116826371 HH Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncoc4-c4cccc(Cl)c4)C[C@@H]32)n1 ZINC000116827036 HH Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(C)cc5s4)C[C@H]3C2)c(OC)c1 ZINC000116827171 HH Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3CN(c4nc5ccc(C)cc5s4)C[C@@H]3C2)c(OC)c1 ZINC000116827173 HH Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3CN(c4nc5ccc(C)cc5s4)C[C@H]3C2)c(OC)c1 ZINC000116827175 HH Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc5c4-c4ccccc4C5=O)C[C@@H]32)n1 ZINC000116827668 HH Annotated Anodyne COC(=O)COc1cc(Br)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000116910874 HH Annotated Anodyne COC(=O)COc1cc(Br)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000116910876 HH Annotated Anodyne Cc1c(Cc2ccc(=O)n(Cc3cccc(F)c3)n2)c2cc(F)ccc2n1CC(=O)O ZINC000117017038 HH Annotated Anodyne Cc1nn(-c2ncccc2F)cc1CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000117179423 HH Annotated Anodyne CCOc1ccc2c(c1)CC[C@@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1 ZINC000117511652 HH Annotated Anodyne Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(ccn3C)c2)nc2c1c(C1CC1)nn2C ZINC000117513576 HH Annotated Anodyne Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(ccn3C)c2)nc2c1c(C1CC1)nn2C ZINC000117513579 HH Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4nccs4)nn(C)c3n2)cc1 ZINC000117514862 HH Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4cncs4)nn(C)c3n2)cc1 ZINC000117516054 HH Annotated Anodyne CCCSc1nc(N2CC[C@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1 ZINC000117665849 HH Annotated Anodyne CO[C@@]1(COc2cc(F)cc3ccc(-c4nnc5ccccn45)nc23)CCCNCC1 ZINC000117670128 HH Annotated Anodyne CO[C@]1(COc2cc(F)cc3ccc(-c4nnc5ccccn45)nc23)CCCNCC1 ZINC000117670131 HH Annotated Anodyne CCc1nn(Cc2cnn(CC)c2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117881721 HH Annotated Anodyne CCc1nn(Cc2ccn(CC)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000117888351 HH Annotated Anodyne Cc1cc(C)c(Nc2ncc(C(=O)N(C)CCCCCCC(=O)NO)cn2)c(C)c1 ZINC000118354390 HH Annotated Bother N#CC1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1 ZINC000118398265 HH Annotated Mild COc1cc(C(F)(F)F)cc(C2CC2)c1C(=O)N[C@H]1COCC[C@@H]1N1CCCC1 ZINC000118616536 HH Annotated Anodyne Cc1c(C(=O)NCc2cnco2)sc2ncnc(Nc3cccnc3OC(C)C)c12 ZINC000118819386 HH Annotated Anodyne CC(C)(C)C(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4C[C@@H](O)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118917904 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]21 ZINC000118930291 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@@H]21 ZINC000118930292 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@H]4C[C@H]4[C@@]34CCC(=O)O4)[C@@H]21 ZINC000118930302 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@H]4C[C@H]4[C@]34CCC(=O)O4)[C@@H]21 ZINC000118930303 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]21 ZINC000118930322 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@@H]21 ZINC000118930323 HH Annotated Mild Cc1cc(OCc2cc(C(=O)N(C)CCc3cnn(C)c3)no2)cc(C)c1Cl ZINC000012031242 HH Annotated Anodyne Cc1c(C(=O)N(C)Cc2ccon2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 ZINC000012037363 HH Annotated Anodyne Cc1c(C(=O)N[C@@H]2CCOC(C)(C)C2)sc2ncnc(NCc3ccco3)c12 ZINC000012048936 HH Annotated Anodyne Cc1c(C(=O)N[C@H]2CCOC(C)(C)C2)sc2ncnc(NCc3ccco3)c12 ZINC000012048939 HH Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3C[C@H]2CN3Cc2cccn2-c2ccc(Cl)cn2)c(C)c1 ZINC000012049566 HH Annotated Anodyne COc1cc(C)ccc1OCc1cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)no1 ZINC000012076179 HH Annotated Anodyne COc1cc(C)ccc1OCc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)no1 ZINC000012076182 HH Annotated Anodyne CCc1ccc(S(=O)(=O)NCc2nc(N3CCCC3)c3cccc(C)c3n2)cc1 ZINC000012078835 HH Annotated Anodyne CN(C)C(=O)CCC(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000012079040 HH Annotated Anodyne CN(C)C(=O)CCC(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000012079041 HH Annotated Anodyne OC[C@@H]1CCCN(c2nc3cc4c(cc3cc2CNCc2cccs2)OCO4)C1 ZINC000012079135 HH Annotated Anodyne OC[C@H]1CCCN(c2nc3cc4c(cc3cc2CNCc2cccs2)OCO4)C1 ZINC000012079137 HH Annotated Anodyne CCc1noc(C)c1C(=O)NCCN1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000012079723 HH Annotated Anodyne CCc1noc(C)c1C(=O)NCCN1Cc2ccccc2O[C@@H](c2ccsc2)C1 ZINC000012079724 HH Annotated Anodyne O=C([C@@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCC([C@H](O)c2cccs2)CC1 ZINC000012099980 HH Annotated Anodyne O=C([C@@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000012099981 HH Annotated Anodyne O=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCC([C@H](O)c2cccs2)CC1 ZINC000012099982 HH Annotated Anodyne O=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000012099984 HH Annotated Anodyne COCc1c(C(=O)NC2CCCC2)cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000012128913 HH Annotated Anodyne COc1ccc(-n2c(CNC(=O)c3ccccc3C(F)(F)F)nnc2SC)cc1 ZINC000012131435 HH Annotated Anodyne Cc1nc2cc(NC(=O)[C@@H]3CC34CCN(C(=O)c3cccnc3)CC4)ccc2s1 ZINC000012135557 HH Annotated Anodyne Cc1nc2cc(NC(=O)[C@H]3CC34CCN(C(=O)c3cccnc3)CC4)ccc2s1 ZINC000012135559 HH Annotated Anodyne COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N4CCCC4)c3C3CC3)ncc1CC2 ZINC000012149084 HH Annotated Anodyne Cc1c(C(=O)NCc2ccncc2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 ZINC000012152800 HH Annotated Anodyne O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1cccc(F)c1F ZINC000012192604 HH Annotated Anodyne O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCc1cccc(F)c1F ZINC000012192616 HH Annotated Anodyne CC(C)NC(=O)C1CCN(C2CCN(Cc3ccc4cccc(F)c4n3)CC2)CC1 ZINC000012193744 HH Annotated Anodyne O=C(c1ccc(N2CCC(NCc3ccon3)CC2)cc1)N1CCc2ccccc2C1 ZINC000012218859 HH Annotated Anodyne C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1ccc(OC)c(OC2CCN(C(C)=O)CC2)c1 ZINC000012225911 HH Annotated Mild O=C(/C=C/c1c[nH]cn1)N1CCC(n2c(CC3CCCC3)nc3cccnc32)CC1 ZINC000012242019 HH Annotated Anodyne Cc1ccc(C[C@]2(CCC(=O)N(C)Cc3ccc4nccnc4c3)CCC(=O)N2)cc1 ZINC000012281142 HH Annotated Anodyne Cc1ccc(C[C@@]2(CCC(=O)N(C)Cc3ccc4nccnc4c3)CCC(=O)N2)cc1 ZINC000012281143 HH Annotated Anodyne O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3ccc4nonc4c3)N3CCC[C@@]123 ZINC000012297915 HH Annotated Anodyne CC(=O)c1ccc(OCc2cc(C(=O)N(C)CCOc3ccc(C)cc3)no2)cc1 ZINC000012301775 HH Annotated Anodyne CCn1ccnc1CN(C)C(=O)c1cc(COc2ccc(OC)c3ccccc23)on1 ZINC000012316522 HH Annotated Anodyne N=C(N)N1CCc2ccc(OCC3CCN(c4ccnc5ccccc45)CC3)cc2C1 ZINC000012355155 HH Annotated Anodyne O=C1CCOc2c(OCCNCCCCc3ccc4c(c3)OCCO4)cc(F)cc21 ZINC000012356378 HH Annotated Anodyne CCCOc1ccc(NC(=O)c2cccs2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 ZINC000012360834 HH Annotated Anodyne O=C(O)c1ccc(/N=C/c2ccc(/C=N/c3ccc(C(=O)O)cc3O)cc2)c(O)c1 ZINC000012403160 HH Annotated Mild Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012429568 HH Annotated Anodyne Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012429569 HH Annotated Anodyne Cn1cc(CNCc2c[nH]nc2-c2ccc(F)cc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012434201 HH Annotated Anodyne O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012434336 HH Annotated Anodyne O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012434337 HH Annotated Anodyne CC(=O)c1ccc(OCc2cc(C(=O)N3CCC(c4ccncc4)CC3)no2)cc1 ZINC000012434588 HH Annotated Anodyne Cc1cc(CN(C)C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)on1 ZINC000012434626 HH Annotated Anodyne O=C(Nc1ccnn1C1CCN(Cc2cc(Cl)ccc2O)CC1)c1cccnc1 ZINC000012437554 HH Annotated Clean Cc1cc(CN(C)C(=O)CCc2nnc(Cc3cccc(C(F)(F)F)c3)o2)on1 ZINC000012438156 HH Annotated Anodyne CCN(CCn1cccn1)C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 ZINC000012442317 HH Annotated Anodyne CCn1nc(C)c(CNCc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn23)c1C ZINC000012445467 HH Annotated Anodyne O=C(NCCCc1ccncc1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012448748 HH Annotated Anodyne O=C(NCCCc1ccncc1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012448749 HH Annotated Anodyne C#CCN(Cc1ccco1)C(=O)CC[C@]1(Cc2ccc(SC)cc2)CCC(=O)N1 ZINC000012451636 HH Annotated Mild C#CCN(Cc1ccco1)C(=O)CC[C@@]1(Cc2ccc(SC)cc2)CCC(=O)N1 ZINC000012451638 HH Annotated Mild Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000012455203 HH Annotated Anodyne Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000012455206 HH Annotated Anodyne Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000012455209 HH Annotated Anodyne Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000012455210 HH Annotated Anodyne COC1=C/C(=C/C2=C3Nc4ccccc4C(C(=O)O)=C3CCC2)C=C([N+](=O)[O-])C1=O ZINC000012470875 HH Annotated Mild C[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000012472352 HH Annotated Anodyne C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccc(Br)cc1 ZINC000012472356 HH Annotated Anodyne CC(C)CCNC(=O)c1onc(CSc2ccccn2)c1C(=O)NCCC(C)C ZINC000012477449 HH Annotated Anodyne COc1ccc(CN2[C@@H](CC(C)=O)c3ccc(/C=C/C(C)=O)cc3S2(=O)=O)cc1 ZINC000012478365 HH Annotated Mild COc1ccc(CN2[C@@H](CC(C)=O)c3cc(C(F)(F)F)ccc3S2(=O)=O)cc1 ZINC000012478388 HH Annotated Anodyne CCOC(=O)C[C@H]1c2ccc(C(F)(F)F)cc2S(=O)(=O)N1Cc1ccccc1 ZINC000012478479 HH Annotated Anodyne CCOC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000012478545 HH Annotated Anodyne COc1ccccc1CN1[C@@H](CC(C)=O)c2cc(C(F)(F)F)ccc2S1(=O)=O ZINC000012478565 HH Annotated Anodyne CCOC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1Cc1ccccc1 ZINC000012478740 HH Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000012479582 HH Annotated Anodyne CCOC(=O)C(C#N)(Cc1cc(OC)cc(OC)c1)Cc1cc(OC)cc(OC)c1 ZINC000012480591 HH Annotated Mild C=CCOC(=O)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1 ZINC000012482613 HH Annotated Mild C=CCOC(=O)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCCCCO)O1 ZINC000012482696 HH Annotated Mild C=CCOC(=O)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1 ZINC000012482713 HH Annotated Mild C=CCOC(=O)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1 ZINC000012482723 HH Annotated Mild COc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=S)NC(C)C)cc1OC ZINC000012486953 HH Annotated Mild CCO[C@@H]1OC(C(=O)NCc2nc3ccccc3[nH]2)=C[C@H](C(C)(C)C)[C@H]1CCCO ZINC000012487700 HH Annotated Anodyne C#Cc1ccc([C@H]2C=C(C(=O)OCC=C)O[C@@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000012487716 HH Annotated Mild C[C@@H](NC(=O)[C@]1([S@@](C)=O)[C@@H](C)C1(Cl)Cl)c1ccc(Br)cc1 ZINC000012504362 HH Annotated Anodyne in-vitro O=C(O)c1ccc(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)c(C(=O)O)c1 ZINC000012504493 HH Annotated Bother in-vivo COc1ccc(-c2csc(N[C@@H](CO)c3nc4ccccc4n3CCCO)n2)cc1 ZINC000012507231 HH Annotated Anodyne COc1ccc(-c2csc(N[C@H](CO)c3nc4ccccc4n3CCCO)n2)cc1 ZINC000012507233 HH Annotated Anodyne Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 ZINC000012566384 HH Annotated Anodyne COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(F)(F)F ZINC000012571190 HH Annotated Anodyne COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)CCC(F)(F)F ZINC000012571195 HH Annotated Anodyne CN(Cc1ccccc1)C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 ZINC000012571591 HH Annotated Anodyne COc1ccccc1-n1cc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3C)C2)cn1 ZINC000012583141 HH Annotated Anodyne COc1ccccc1-n1cc(C(=O)N2CCC[C@](CO)(Cc3ccccc3C)C2)cn1 ZINC000012583150 HH Annotated Anodyne CCn1cc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1 ZINC000012590862 HH Annotated Anodyne CCCc1ccc2oc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)c(C)c2c1 ZINC000012593076 HH Annotated Anodyne COc1ccc2c(c1)C=C([C@@H]1C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN14)CO2 ZINC000012612383 HH Annotated Anodyne CN(Cc1ccon1)C(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1 ZINC000012612415 HH Annotated Anodyne CC/N=c1\scc(C)n1/N=C/c1cc(Br)c(O)c(Br)c1 ZINC000012625717 HH Annotated Mild COc1ccc(NC(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(OC)c1 ZINC000012656280 HH Annotated Anodyne CSc1ccccc1OCc1cc(C(=O)N(C)CCn2nc(C)cc2C)no1 ZINC000012704947 HH Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCCN2CCCCC2=O)c1C ZINC000012711606 HH Annotated Anodyne Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)CCCN2CCCCC2=O)c1C ZINC000012711610 HH Annotated Anodyne CC(C)(O)C#Cc1ccc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)s1 ZINC000012714289 HH Annotated Mild O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCCCn1cccn1 ZINC000012718707 HH Annotated Anodyne Cc1cc(C)cc(SCc2noc(C(=O)NCC3CC3)c2C(=O)NCC2CC2)c1 ZINC000012726227 HH Annotated Anodyne O=C(NCC1CC1)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)NCC1CC1 ZINC000012726526 HH Annotated Anodyne CCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCC1CC1 ZINC000012726708 HH Annotated Anodyne Cc1nn(C)c(Cl)c1CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1 ZINC000012749714 HH Annotated Anodyne O=C(Nc1cccc(F)c1)Nc1ccnn1C1CCN(C(=O)c2ccccn2)CC1 ZINC000012751315 HH Annotated Anodyne COc1ccc(OC)c([C@]2(O)CS/C(=N\c3cccnc3)N2Cc2ccco2)c1 ZINC000013066435 HH Annotated Mild Cn1cnnc1SCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000013096943 HH Annotated Anodyne O=C(CSc1ncn[nH]1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000013110661 HH Annotated Anodyne CC(=O)n1cc([C@@H]2C=C(C(=O)O)O[C@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000013118623 HH Annotated Anodyne C=CCOC(=O)C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013118625 HH Annotated Mild CCOC1=C/C(=C/NNc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)C=CC1=O ZINC000013119035 HH Annotated Mild CCOC1=C/C(=C/C(C#N)=C2/NC(c3cccs3)=C(NC(C)=O)S2)C=CC1=O ZINC000013119052 HH Annotated Reactive CCOC1=C/C(=C/NNc2nc(-c3cccs3)c(NC(C)=O)s2)C=CC1=O ZINC000013119169 HH Annotated Mild CCn1c(SCC(=O)NN/C=C2\C=Nc3ccccc32)nnc1-c1ccc(C)cc1 ZINC000013119344 HH Annotated Reactive O=c1c2ccccc2nc(COc2ccccc2)n1N/C=C1\C=NN=C1c1ccccc1 ZINC000013119346 HH Annotated Anodyne O=C1C(Br)=CC(=CNNc2nncc3ccccc23)C=C1Br ZINC000013121640 HH Annotated Mild O=C1C=CC(=CNNC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)C=C1 ZINC000013122102 HH Annotated Reactive O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)NN/C=C1\C=CC=CC1=O ZINC000013122170 HH Annotated Reactive COc1ccc(CNC(=O)c2c(S)n(-c3ccc(C)cc3)c3cccc[n+]23)cc1 ZINC000013122967 HH Annotated Anodyne COC1=C/C(=C/C(C#N)=C2/NC(c3cc4ccccc4oc3=O)=CS2)C=CC1=O ZINC000013124229 HH Annotated Reactive COC1=C/C(=C/Nn2c(C3CCCCC3)n[nH]c2=S)C=C(Br)C1=O ZINC000013124852 HH Annotated Mild CCN(CC)C1=CC(=O)/C(=C/NN2CCN(Cc3cccc4ccccc34)CC2)C=C1 ZINC000013124986 HH Annotated Mild COC1=CC=C/C(=C\NNC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)C1=O ZINC000013125694 HH Annotated Reactive O=C1C=CC(Br)=C/C1=C\NN1CCN(Cc2cccc3ccccc23)CC1 ZINC000013125704 HH Annotated Mild CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)NC(=O)N1CCCC(=O)O ZINC000013125848 HH Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)NC(=O)N1CCCC(=O)O ZINC000013125849 HH Annotated Anodyne CC(C)(C)C1=CC(Br)=C/C(=C\NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000013126063 HH Annotated Reactive Cc1ccc(OCC(=O)NN/C=C2\C=NN=C2c2ccc(Cl)c(Cl)c2)cc1 ZINC000013126161 HH Annotated Reactive Cc1cccc(OCC(=O)NN/C=C2\C=NN=C2c2ccc(Cl)c(Cl)c2)c1 ZINC000013126162 HH Annotated Reactive O=C1C=CC(=CNNC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)C=C1 ZINC000013126177 HH Annotated Reactive CCCc1nc2ccccc2c(=O)n1N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C ZINC000013127827 HH Annotated Clean C[C@H]1CCCN([C@@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000013130904 HH Annotated Bother CC[C@@H](C)N(CCNC(=O)C[C@@H]1Oc2ccc(C)cc2NC1=O)C1CCCCC1 ZINC000013131285 HH Annotated Anodyne CC[C@H](C)N(CCNC(=O)C[C@@H]1Oc2ccc(C)cc2NC1=O)C1CCCCC1 ZINC000013131287 HH Annotated Anodyne C/N=C1/S[C@@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1/N=C/c1cccs1 ZINC000013133081 HH Annotated Mild C/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000013133188 HH Annotated Reactive Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000013133475 HH Annotated Anodyne aggregator Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000013133476 HH Annotated Anodyne aggregator Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000013133477 HH Annotated Anodyne O=C1C[C@H]2c3ccccc3CCN2C(=O)[C@@H]1/C=N\OCc1ccc(C(F)(F)F)cc1 ZINC000013137008 HH Annotated Mild O=C1C[C@H]2c3ccccc3CCN2C(=O)[C@H]1/C=N\OCc1ccc(C(F)(F)F)cc1 ZINC000013137009 HH Annotated Mild Cc1cc(/C=N\Nc2nc(N)ncc2[N+](=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000013138411 HH Annotated Mild CN1C[C@@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000013143203 HH Annotated Anodyne COc1ccc(OC)c([C@@]2(O)CS/C(=N\c3cccnc3)N2Cc2ccco2)c1 ZINC000013144024 HH Annotated Mild Cc1ccc(NC(=O)C[C@H]2SC(N/N=C3\CCCc4ccccc43)=NC2=O)cc1 ZINC000013145025 HH Annotated Mild C1=N\CCNCC/N=C\c2ccc(cc2)OCc2cccc(n2)COc2ccc/1cc2 ZINC000013223199 HH Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C)c(O)c(C(=O)CC)c2O)c1O ZINC000013299281 HH Annotated Anodyne C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@H](O)C[C@H]1OC1(C)C ZINC000013307387 HH Annotated Anodyne in-man C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@@H](O)C[C@H]1OC1(C)C ZINC000013307389 HH Annotated Anodyne in-man C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@H](O)C[C@@H]1OC1(C)C ZINC000013307392 HH Annotated Anodyne in-man C/C(=C\COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@@H](O)C[C@@H]1OC1(C)C ZINC000013307394 HH Annotated Anodyne in-man COc1cc(C)c2c(OC)cc(=O)oc2c1-c1c(OC)c2c(C)cc(O)cc2oc1=O ZINC000013308704 HH Annotated Anodyne C=CCc1cc(OC)c(O[C@@H](C)[C@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 ZINC000013311404 HH Annotated Mild in-man C=CCc1cc(OC)c(O[C@H](C)[C@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 ZINC000013311406 HH Annotated Mild in-man C=CCc1cc(OC)c(O[C@@H](C)[C@@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 ZINC000013311408 HH Annotated Mild in-man C=CCc1cc(OC)c(O[C@H](C)[C@@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 ZINC000013311410 HH Annotated Mild in-man C=CCc1cc(OC)c(O[C@@H](C)[C@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 ZINC000013311412 HH Annotated Mild in-man C=CCc1cc(OC)c(O[C@H](C)[C@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 ZINC000013311414 HH Annotated Mild in-man C=CCc1cc(OC)c(O[C@@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 ZINC000013311416 HH Annotated Mild in-man C=CCc1cc(OC)c(O[C@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)c(OC)c1 ZINC000013311418 HH Annotated Mild in-man COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]23COC(=O)[C@H]13 ZINC000013328609 HH Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C=C/C(=O)[C@]12O[C@H]1[C@](O)(C(C)C)NC2=O ZINC000013368382 HH Annotated Mild C=CC[C@@]12C[C@@H](OC)C(=O)C(OC)=C1O[C@@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C ZINC000013372791 HH Annotated Anodyne C=CC(C)(C)[C@@]12C[C@H]3C(=O)Nc4ccccc4C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000013373974 HH Annotated Mild C=CC(C)(C)[C@]12C[C@H]3C(=O)Nc4ccccc4C(=O)N3[C@H]1N(C(C)=O)c1ccccc12 ZINC000013373975 HH Annotated Mild Oc1cc(CCc2cc(O)c(O)c(Br)c2)cc(Br)c1O ZINC000013377765 HH Annotated Clean C=CC(C)(C)c1c(O)c2c(c3c(=O)c4ccc(O)c(O)c4oc13)OC(C)(C)[C@H](O)C2 ZINC000013379011 HH Annotated Mild O=C1C[C@@H](c2ccccc2)c2c(O)cc(O)c(C(=O)/C=C/c3ccc(O)c(O)c3)c2O1 ZINC000013397203 HH Annotated Mild O=C1C[C@H](c2ccccc2)c2c(O)cc(O)c(C(=O)/C=C/c3ccc(O)c(O)c3)c2O1 ZINC000013397207 HH Annotated Mild COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@](C)(O)[C@H]2O)oc(=O)c1C ZINC000013398002 HH Annotated Anodyne in-man COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000013398009 HH Annotated Anodyne in-man COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000013398011 HH Annotated Anodyne in-man C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)[C@H](O)[C@@H]3O ZINC000013398981 HH Annotated Mild in-man C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)[C@@H](O)[C@@H]3O ZINC000013398985 HH Annotated Mild in-man C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)[C@H](O)[C@H]3O ZINC000013398990 HH Annotated Mild in-man C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)[C@@H](O)[C@H]3O ZINC000013398994 HH Annotated Mild in-man CO[C@]12C=C3C(=O)c4c(O)cccc4O[C@]34[C@H](C1)C(C)(C)O[C@]4(CC=C(C)C)C2=O ZINC000013404648 HH Annotated Mild in-vitro biogenic CNCCc1c(Br)cc(Br)c(OC)c1Br ZINC000013407391 HH Annotated Anodyne C[C@@H]1Oc2cc(O)c3c(=O)c4c(CCC(C)(C)O)c(O)c(O)cc4oc3c2C1(C)C ZINC000013411987 HH Annotated Clean C=CC(C)(C)c1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C[C@@H](C(C)(C)O)O2 ZINC000013412052 HH Annotated Mild in-vitro biogenic C=CC(C)(C)c1c2c(c(O)c3c(=O)c4ccc(O)c(O)c4oc13)C[C@H](C(C)(C)O)O2 ZINC000013412055 HH Annotated Mild C=C(NC(=O)/C(C)=C/C=C\CCCCCC(C)C)C(=O)N/C(=C\OC)C(=O)OC ZINC000013430836 HH Annotated Anodyne O=C(C(=O)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2)c1ccc(O)cc1 ZINC000013431881 HH Annotated Clean COc1cc(=O)oc2cc(O)c(-c3c(O)cc(C)c4c(OC)cc(=O)oc34)c(C)c12 ZINC000013437030 HH Annotated Anodyne COc1cc(C)c2c(OC)cc(=O)oc2c1-c1c(O)cc2oc(=O)cc(OC)c2c1C ZINC000013437032 HH Annotated Anodyne COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc([C@@H]3CCOC3)oc12 ZINC000013437931 HH Annotated Anodyne COc1ncc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc([C@H]3CCOC3)oc12 ZINC000013437935 HH Annotated Anodyne CC(=O)N1CCc2c(sc(NC(=O)CCl)c2C(=O)c2ccccc2Cl)C1 ZINC000013442662 HH Annotated Reactive CC(=O)N1CCc2c(sc(N(C)C(=O)C3CC3)c2C(=O)c2ccccc2Cl)C1 ZINC000013442692 HH Annotated Anodyne CCNC(=O)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(C)=O)C2 ZINC000013442710 HH Annotated Anodyne CC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(=O)c2cccc(Cl)c2)C1 ZINC000013442747 HH Annotated Anodyne CC(=O)N1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)c2ccccc2)C1 ZINC000013442770 HH Annotated Anodyne CCN1CCc2c(sc(NC(=O)C(C)C)c2C(=O)c2ccc3c(c2)OCO3)C1 ZINC000013442779 HH Annotated Anodyne O=[S@](Cc1cc(OCC(F)(F)C(F)(F)F)ccn1)c1nc2cscc2[nH]1 ZINC000013448706 HH Annotated Anodyne O=[S@@](Cc1cc(OCC(F)(F)C(F)(F)F)ccn1)c1nc2cscc2[nH]1 ZINC000013448709 HH Annotated Anodyne Oc1cc2c(c(Br)c1O)-c1c(cc(O)c(O)c1Br)CC2 ZINC000013450074 HH Annotated Clean COc1cc(C[S@@](=O)c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)ncc1C ZINC000013452073 HH Annotated Anodyne COc1cc(C[S@](=O)c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)ncc1C ZINC000013452080 HH Annotated Anodyne CO[C@H]1C[C@]2(CC[C@]3(O2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC(=O)[C@]3(C)OC(C)=O)CO1 ZINC000013455977 HH Annotated Anodyne in-vitro biogenic COc1c2c(c(OC)c(O)c1-c1c[nH]c3ccccc13)[C@]1(O)c3ccccc3N[C@@H]1O2 ZINC000013462676 HH Annotated Anodyne O=[N+]([O-])c1ccc(N/N=C(/Cc2ccccc2)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1 ZINC000013472288 HH Annotated Mild CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 ZINC000013472644 HH Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)Oc3ccccc3)ccc2O1 ZINC000013472647 HH Annotated Anodyne C=CCC1=C[C@@](OC)([C@H](C)[C@@H](OC(C)=O)c2ccc3c(c2)OCO3)C(OC)=CC1=O ZINC000013480168 HH Annotated Mild COc1cc(OC)c([C@@H]2CCC(=O)c3c(OC)cc(OC)c(OC)c32)cc1OC ZINC000013480697 HH Annotated Anodyne COc1cc(OC)c([C@H]2CCC(=O)c3c(OC)cc(OC)c(OC)c32)cc1OC ZINC000013480698 HH Annotated Anodyne COC(=O)/C1=C\CC[C@@](C)(OC)[C@@H](O)CC/C(C(=O)OC)=C\C=C(/C(C)C)CC1 ZINC000013483404 HH Annotated Anodyne COc1cc(C(=O)O[C@@H]2CC(C)=CC(=O)[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000013484640 HH Annotated Mild Cc1cc(F)ccc1-c1nc(N(C(N)=O)c2c(F)cccc2F)c2ncn(C)c2n1 ZINC000013488568 HH Annotated Anodyne COc1ccccc1N(C(N)=O)c1nc(-c2ccc(F)cc2C)nc2c1ncn2C ZINC000013488571 HH Annotated Anodyne Cn1cnc2c(N(C(N)=O)c3c(F)cccc3F)nc(-c3ccc(F)cc3F)nc21 ZINC000013488577 HH Annotated Anodyne Cn1cnc2c(N(C(N)=O)c3c(F)cccc3F)nc(-c3cc(F)cc(F)c3)nc21 ZINC000013488578 HH Annotated Anodyne Cc1cccc(N2C(=S)N[C@@H]3c4cc(Cl)ccc4O[C@@]2(C)[C@H]3C(=O)N(C)C)c1 ZINC000013497250 HH Annotated Anodyne Cc1ccc(N2C(=S)N[C@@H]3c4cc(Cl)ccc4O[C@@]2(C)[C@H]3C(=O)N(C)C)cc1 ZINC000013497253 HH Annotated Anodyne COc1ccc([C@@H](NC(=O)c2ccc(=O)[nH]c2)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000013521249 HH Annotated Anodyne COc1ccc([C@H](NC(=O)c2ccc(=O)[nH]c2)C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000013521250 HH Annotated Anodyne Cc1cccc([C@@H]2CC(=O)N(Cc3cccnc3)[C@H](c3ccc(O)cc3)[C@H]2[N+](=O)[O-])c1 ZINC000013521544 HH Annotated Bother O=C1C[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 ZINC000013521547 HH Annotated Bother O=C(O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000013537313 HH Annotated Clean Cc1ccc(F)c(Nc2ccnc(Nc3ccc(OC[C@H](O)CN(C)C)cc3)n2)c1 ZINC000013538018 HH Annotated Anodyne Cc1ccc(F)c(Nc2ccnc(Nc3ccc(OC[C@@H](O)CN(C)C)cc3)n2)c1 ZINC000013538021 HH Annotated Anodyne CS(=O)(=O)Nc1ccc(Nc2cc(-c3cccc(Br)c3)[nH]n2)cc1 ZINC000013538162 HH Annotated Anodyne CCCC[C@@H](c1ccccn1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553681 HH Annotated Bother CCCC[C@H](c1ccccn1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553682 HH Annotated Bother CC(C)C[C@@H](c1ccccn1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553683 HH Annotated Bother CC(C)C[C@H](c1ccccn1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553684 HH Annotated Bother O=c1[nH]n([C@H](c2ccccn2)C2CCCC2)c(=O)c2c(O)c3ccc(Cl)cc3nc12 ZINC000013553687 HH Annotated Bother O=c1[nH]n([C@@H](c2ccccn2)C2CCCC2)c(=O)c2c(O)c3ccc(Cl)cc3nc12 ZINC000013553688 HH Annotated Bother CCCC[C@@H](c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553702 HH Annotated Bother CCCC[C@H](c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553703 HH Annotated Bother CC(C)C[C@@H](c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553704 HH Annotated Bother CC(C)C[C@H](c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553705 HH Annotated Bother CCOC(=O)C1=Cc2ccc(OC)cc2O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000013553824 HH Annotated Anodyne CCOC(=O)C1=Cc2ccc(OC)cc2O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000013553825 HH Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)NC(C)C)=C2 ZINC000013553850 HH Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)NC(C)C)=C2 ZINC000013553851 HH Annotated Anodyne CN(C)CCN1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O ZINC000013558276 HH Annotated Anodyne CON(C)C(=O)N1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O ZINC000013558280 HH Annotated Anodyne O=C1CC[C@H]([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccc3ccccc3c2)O1 ZINC000013558359 HH Annotated Anodyne CNC(=O)C1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1 ZINC000013559345 HH Annotated Anodyne COc1ccc(CO[C@H]2c3c(ncn3Cc3ccc(OC)cc3)N=CN(C)N2C)cc1 ZINC000013559515 HH Annotated Anodyne COc1ccc(CO[C@@H]2c3c(ncn3Cc3ccc(OC)cc3)N=CN(C)N2C)cc1 ZINC000013559516 HH Annotated Anodyne COc1ccc(Cn2cnc3c2[C@H](OCc2cccc(C)c2)N(C)N(C)C=N3)cc1 ZINC000013559517 HH Annotated Anodyne COc1ccc(Cn2cnc3c2[C@@H](OCc2cccc(C)c2)N(C)N(C)C=N3)cc1 ZINC000013559518 HH Annotated Anodyne Cc1cccc(COc2nn3c(-c4nc(C)no4)nnc3c3c2C2CCC3CC2)n1 ZINC000013560495 HH Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc(CO[N+](=O)[O-])nn2C2CCCCCCC2)cc1 ZINC000013560508 HH Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOc1cc2ccccc2c2c1OC(=O)CC2 ZINC000013560925 HH Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3COCCO3)C(=O)Nc3ccccc3C)cc2c1 ZINC000013570924 HH Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)Nc3ccccc3C)cc2c1 ZINC000013570925 HH Annotated Anodyne C=CC[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000013572104 HH Annotated Mild C=CC[N+](C)(C)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000013572110 HH Annotated Mild CC(=O)C1=C(C)NC2=C([C@@H]1c1ccc(F)c(Br)c1)S(=O)(=O)CCC2 ZINC000013579848 HH Annotated Mild CC(=O)C1=C(C)NC2=C([C@H]1c1ccc(F)c(Br)c1)S(=O)(=O)CCC2 ZINC000013579850 HH Annotated Mild O=C1COCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)CSCC1=N2 ZINC000013580084 HH Annotated Mild O=C1COCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)CSCC1=N2 ZINC000013580085 HH Annotated Mild Cc1noc(-c2nnc3c4c(c(OCc5ccc(C)c(C)n5)nn23)C2CCC4CC2)n1 ZINC000013580798 HH Annotated Anodyne Cc1noc(-c2nnc3c4c(c(OCc5ccccc5C#N)nn23)C2CCC4CC2)n1 ZINC000013580807 HH Annotated Mild CCc1noc(-c2nnc3c4c(c(OCc5cccc(C)n5)nn23)C2CCC4CC2)n1 ZINC000013580811 HH Annotated Anodyne CC(C)Oc1nc(N2CCCCC2)c2nc(OC(C)C)nc(N3CCCCC3)c2n1 ZINC000013583333 HH Annotated Anodyne CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C[S@@](=O)CCOC(=O)c2ccccc2)C1 ZINC000013584851 HH Annotated Anodyne CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C[S@](=O)CCOC(=O)c2ccccc2)C1 ZINC000013584853 HH Annotated Anodyne CNCc1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 ZINC000013585130 HH Annotated Anodyne CNCCc1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 ZINC000013585134 HH Annotated Anodyne CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc([C@@H](C)O)[nH]c(=O)c12 ZINC000013585135 HH Annotated Anodyne CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc([C@H](C)O)[nH]c(=O)c12 ZINC000013585137 HH Annotated Anodyne COC(=O)c1nc2c(c(SC)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 ZINC000013585142 HH Annotated Anodyne CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCCO)[nH]c(=O)c12 ZINC000013585144 HH Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCCCO)[nH]c(=O)c12 ZINC000013585148 HH Annotated Anodyne COc1cc(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 ZINC000013586137 HH Annotated Reactive COc1cc(Br)cc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1 ZINC000013586139 HH Annotated Reactive C=CC(C)(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/c1cccnc1)NC#N ZINC000013588834 HH Annotated Mild C=CC(C)(C)C[C@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/c1cccnc1)NC#N ZINC000013588835 HH Annotated Mild C[C@@H](C1CCN(Cc2cn(C)nc2-c2cccc(Cl)c2)CC1)N1CCOCC1 ZINC000013593958 HH Annotated Anodyne C[C@H](C1CCN(Cc2cn(C)nc2-c2cccc(Cl)c2)CC1)N1CCOCC1 ZINC000013593960 HH Annotated Anodyne O=C(NC[C@@H]1OCCc2ccccc21)c1cc(COc2c(F)cccc2F)on1 ZINC000013594129 HH Annotated Anodyne O=C(NC[C@H]1OCCc2ccccc21)c1cc(COc2c(F)cccc2F)on1 ZINC000013594131 HH Annotated Anodyne CCc1noc(C)c1C(=O)N1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000013594155 HH Annotated Anodyne CCc1noc(C)c1C(=O)N1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000013594158 HH Annotated Anodyne COC(=O)c1cccc(C(=O)N2CCC(CO)(Cc3ccccc3Cl)CC2)c1 ZINC000013594194 HH Annotated Anodyne CC(=O)c1ccc(-c2nnc(CCC(=O)N(C)Cc3c(C)nc4ccccn34)o2)s1 ZINC000013594206 HH Annotated Anodyne CN(Cc1ccno1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000013594579 HH Annotated Anodyne COc1ccccc1-n1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)cn1 ZINC000013595194 HH Annotated Anodyne Cc1cccn2c(CN(C)[C@@H]3CCCc4ccccc43)c(C(=O)N3CCOCC3)nc12 ZINC000013596213 HH Annotated Anodyne Cc1cccn2c(CN(C)[C@H]3CCCc4ccccc43)c(C(=O)N3CCOCC3)nc12 ZINC000013596216 HH Annotated Anodyne CCc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)o1 ZINC000013596523 HH Annotated Anodyne CCc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)o1 ZINC000013596526 HH Annotated Anodyne Cc1c(C(=O)NCCCCO)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000013602507 HH Annotated Anodyne Cc1c(C(=O)OCCCO)cnn1-c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000013602513 HH Annotated Anodyne CNCCOc1ccc(C/N=C(\S)NCCc2ccc(Cl)cc2)cc1OC ZINC000013605005 HH Annotated Mild COc1cc(C/N=C(\S)NCCc2ccc(Cl)cc2)ccc1OCCN(C)C ZINC000013605007 HH Annotated Mild CN1C(O)=C(C(=O)Nc2ccc(Cl)cc2Cl)c2cc(F)ccc2S1(=O)=O ZINC000013605541 HH Annotated Anodyne COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC=C3CC[C@]21C ZINC000013607544 HH Annotated Anodyne COC(=O)[C@@H]1C[C@H](OC(C)=O)C[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C ZINC000013607548 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(Cl)cc32)cc1 ZINC000013608394 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2CC(C)(C)Oc3ccc(Cl)cc32)cc1 ZINC000013608398 HH Annotated Anodyne Cc1ccc2c(O)c3c(c(O)c2n1)C(=O)N(Cc1cccc(Br)c1)C3=O ZINC000013612227 HH Annotated Anodyne O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cccc(-c2ccccc2F)c1 ZINC000013612318 HH Annotated Anodyne O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccc(-c2ccccc2F)cc1 ZINC000013612321 HH Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)OCC=C)O[C@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000013634569 HH Annotated Mild O=C(O)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013634584 HH Annotated Anodyne O=C(O)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013634663 HH Annotated Anodyne CN(CCn1ccnc1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000013636633 HH Annotated Anodyne COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)cc1C ZINC000013636663 HH Annotated Anodyne COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)cc1C ZINC000013636666 HH Annotated Anodyne Cc1ccn2c(CN(C)CCn3nc(C)cc3C)c(C(=O)N3CCCCCC3)nc2c1 ZINC000013636669 HH Annotated Anodyne COc1ccc(/C=N/n2cnc3c4cc(F)ccc4nc-3c2O)cc1CN1CCCC1 ZINC000013639066 HH Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cccc(C(C)=O)c3)c(F)c2)C(=O)O1 ZINC000013648795 HH Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cccc(C=O)c3)c(F)c2)C(=O)O1 ZINC000013648797 HH Annotated Anodyne CCCCn1c(=O)c2cc(OC)c(OC)cc2c2nnc3cc4c(cc3c21)OCO4 ZINC000013649128 HH Annotated Bother CC(=O)OC1=C(C(=O)N(C(C)=O)c2ccccc2)c2cc(C#N)ccc2OC1(C)C ZINC000013650102 HH Annotated Mild COc1ccc(N2CCN(C(=O)[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)cc1 ZINC000013651292 HH Annotated Clean COc1ccc(N2CCN(C(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)cc1 ZINC000013651293 HH Annotated Clean COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1S(=O)(=O)Cc1ccccc1 ZINC000013651705 HH Annotated Anodyne COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](OC)[C@H]3COC(=O)N23)cc(OC)c1O ZINC000013652050 HH Annotated Anodyne COc1cc(OC)cc(OC2=C(Cl)C(=O)c3c(OC)ccc(OC)c3C2=O)c1 ZINC000013652349 HH Annotated Mild NC(=O)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013656443 HH Annotated Anodyne NC(=O)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656452 HH Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)NCc3ccccc3)O[C@H](OCC)[C@H]2CCCO)cc1 ZINC000013656947 HH Annotated Mild C#Cc1ccc([C@H]2C=C(C(=O)NCc3ccccc3)O[C@@H](OCC)[C@@H]2CCCO)cc1 ZINC000013657004 HH Annotated Mild CCO[C@H]1OC(C(=O)NC2CC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000013657269 HH Annotated Anodyne O=C(NC1CC1)C1=C[C@H](c2c[nH]c3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013657297 HH Annotated Anodyne CCO[C@H]1OC(C(=O)NC2CC2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000013657327 HH Annotated Anodyne O=C(NC1CC1)C1=C[C@@H](c2c[nH]c3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013657329 HH Annotated Anodyne CCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000013657333 HH Annotated Anodyne CCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO ZINC000013657335 HH Annotated Anodyne CCN(N=O)[C@@H](Cc1ccccc1)CN(N=O)[C@@H](Cc1ccccc1)CN(C)N=O ZINC000013659583 HH Annotated Anodyne C=C1CCN([C@H](C(=O)Nc2ccc(OC)cc2)C(C)C)S(=O)(=O)c2ccccc21 ZINC000013659986 HH Annotated Mild COc1ccc(-n2cccc2/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1 ZINC000013660080 HH Annotated Clean CCC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000013660466 HH Annotated Anodyne CCC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000013660468 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2C[C@@H]3Cn4c(nc5cc6ccccc6cc54)[C@@H]3N2C)o1 ZINC000013660661 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc6ccccc6cc54)[C@@H]3N2C)o1 ZINC000013660663 HH Annotated Anodyne CN1[C@@H](C(=O)NCc2ccco2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 ZINC000013660700 HH Annotated Anodyne CN1[C@H](C(=O)NCc2ccco2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 ZINC000013660703 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2C[C@@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@@H]3N2C)o1 ZINC000013660719 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@@H]3N2C)o1 ZINC000013660722 HH Annotated Anodyne CN1[C@@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 ZINC000013660797 HH Annotated Anodyne CN1[C@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 ZINC000013660801 HH Annotated Anodyne CC(C)CCNC(=O)c1onc(CSc2ccncc2)c1C(=O)NCCC(C)C ZINC000013660862 HH Annotated Anodyne C=CCNC(=O)c1c(CSc2ccccc2)noc1C(=O)NCc1ccccc1 ZINC000013660875 HH Annotated Mild C=CCCN([C@H](CC(C)C)C(=O)OC)S(=O)(=O)c1ccccc1Br ZINC000013661092 HH Annotated Mild C=CCCN([C@@H](CC(C)C)C(=O)OC)S(=O)(=O)c1ccccc1Br ZINC000013661095 HH Annotated Mild CCCC[C@@H]1CNC(=O)C(=O)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662273 HH Annotated Anodyne NC(=O)c1ccc2c(=O)n3c(-c4cc(Cl)c(N)c(Cl)c4)csc3nc2c1 ZINC000013662284 HH Annotated Anodyne O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000013678247 HH Annotated Clean C[C@H]1CN(C(=O)Nc2ccc(N)nc2)[C@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000013679722 HH Annotated Mild N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1ccc(I)cc1 ZINC000013680786 HH Annotated Mild CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4c(F)cc(F)cc4C#N)c3)cnc2n1 ZINC000013681614 HH Annotated Mild Nc1c(C(=O)c2cccc(C#CCN3CCCCC3)c2)cnn1-c1ccc(F)cc1 ZINC000013683040 HH Annotated Mild CC(=O)Oc1ccc(-n2cnc3cc(OC(C)=O)cc(OC(C)=O)c3c2=S)cc1 ZINC000013685511 HH Annotated Anodyne O=C1c2c(O)cccc2C(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2cccc(O)c21 ZINC000013732231 HH Annotated Mild CC[C@@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1 ZINC000013733370 HH Annotated Anodyne CC[C@](OC)(C(=O)OC)c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1 ZINC000013733373 HH Annotated Anodyne COc1ccc(-c2nc(/N=C(\N)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1 ZINC000013735801 HH Annotated Mild CC(C)(C)NC(=O)n1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 ZINC000013737484 HH Annotated Anodyne CC(C)(C)NC(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 ZINC000013737485 HH Annotated Anodyne Cn1c(SSc2c(C(N)=O)c3ccccc3n2C)c(C(N)=O)c2ccccc21 ZINC000013740082 HH Annotated Reactive Cc1ccnc(N2CCN(C(=O)CCc3c(C)n4c5c(cccc35)CCC4)CC2)c1 ZINC000013740409 HH Annotated Anodyne COc1cc2c3c(c1)c(CCN1CCN(c4cc(C)ccn4)CC1)c(C)n3CCC2 ZINC000013740420 HH Annotated Anodyne CC(C)=CC[C@@H](OC(=O)Cc1ccccc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000013740813 HH Annotated Mild CC(=O)N(C)c1ccc(S(=O)(=O)c2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1 ZINC000013743608 HH Annotated Anodyne CC(=O)N(C)c1ccc(S(=O)(=O)c2cc([C@]3(C)COC(C)(C)O3)cs2)cc1 ZINC000013743609 HH Annotated Anodyne Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2NC(=O)Nc2cccnc2)cc1 ZINC000013745586 HH Annotated Mild CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1cc(OCC(F)(F)F)ccn1 ZINC000013746109 HH Annotated Anodyne CN(C)c1ccccc1C[S@](=O)c1nccn1-c1cc(OCC(F)(F)F)ccn1 ZINC000013746111 HH Annotated Anodyne Cc1cc(Br)cnc1-n1ccnc1[S@](=O)Cc1ccccc1N(C)C ZINC000013746165 HH Annotated Anodyne Cc1cc(Br)cnc1-n1ccnc1[S@@](=O)Cc1ccccc1N(C)C ZINC000013746167 HH Annotated Anodyne CCN(CC)c1ccccc1C[S@@](=O)c1nc2c(n1Cc1ccccn1)CCC2 ZINC000013746332 HH Annotated Anodyne CCN(CC)c1ccccc1C[S@](=O)c1nc2c(n1Cc1ccccn1)CCC2 ZINC000013746334 HH Annotated Anodyne O=C(O)C[C@@](O)(CSCCCCCCc1c(Cl)cncc1Cl)C(=O)O ZINC000013758224 HH Annotated Anodyne O=C(O)C[C@](O)(CSCCCCCCc1c(Cl)cncc1Cl)C(=O)O ZINC000013758226 HH Annotated Anodyne CN(CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O ZINC000013758598 HH Annotated Anodyne C[C@@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccccc32)C[C@@H](C)N1 ZINC000013758888 HH Annotated Anodyne C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccccc32)C[C@@H](C)N1 ZINC000013758892 HH Annotated Anodyne C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccccc32)C[C@H](C)N1 ZINC000013758893 HH Annotated Anodyne C[C@@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc32)C[C@@H](C)N1 ZINC000013758935 HH Annotated Anodyne C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc32)C[C@@H](C)N1 ZINC000013758939 HH Annotated Anodyne C[C@H]1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc32)C[C@H](C)N1 ZINC000013758941 HH Annotated Anodyne COc1ccc(-c2ncn3c2CN(C(=O)N2C[C@H](C)N[C@@H](C)C2)c2ccccc2-3)cc1 ZINC000013758967 HH Annotated Anodyne COc1ccc(-c2ncn3c2CN(C(=O)N2C[C@@H](C)N[C@H](C)C2)c2ccccc2-3)cc1 ZINC000013758968 HH Annotated Anodyne COc1ccc(-c2ncn3c2CN(C(=O)N2C[C@H](C)N[C@H](C)C2)c2ccccc2-3)cc1 ZINC000013758969 HH Annotated Anodyne CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F ZINC000013759856 HH Annotated Anodyne COCc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F ZINC000013759859 HH Annotated Anodyne COc1ccc(F)c(CC/N=C(\S)Nc2ccc(Br)cn2)c1C#N ZINC000013759867 HH Annotated Mild COc1ccc(F)c(CC/N=C(\S)Nc2ccc(Br)cn2)c1OC ZINC000013759876 HH Annotated Mild CN(C)c1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)cc1 ZINC000013780399 HH Annotated Anodyne O=C1CCOc2c(OCCNCCCCc3ccc([N+](=O)[O-])cc3)cc(F)cc21 ZINC000013780402 HH Annotated Bother CN(Cc1ccc([S@@](=O)C(F)(F)F)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 ZINC000013780506 HH Annotated Anodyne CN(Cc1ccc([S@](=O)C(F)(F)F)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 ZINC000013780507 HH Annotated Anodyne CCN1c2ncc(CCc3ccnc(CO)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780558 HH Annotated Anodyne O=C(c1ccccc1Cl)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1 ZINC000013782325 HH Annotated Anodyne O=C(c1ccc(Cl)cc1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1 ZINC000013782327 HH Annotated Anodyne Cc1ccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)cc1Cl ZINC000013782336 HH Annotated Anodyne CCCCC#C[C@H]1C=C[C@H](Oc2ccc(C(=O)OC)cc2)[C@@H](COC(=O)OCC)O1 ZINC000013782960 HH Annotated Mild CCCCC#C[C@@H]1C=C[C@H](Oc2ccc(C(=O)OC)cc2)[C@@H](COC(=O)OCC)O1 ZINC000013782961 HH Annotated Mild CCOC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(C)cc2C)C=C[C@@H]1OC(=O)OCC ZINC000013783128 HH Annotated Mild CCOC(=O)OC[C@H]1O[C@H](C#Cc2ccc(C)cc2C)C=C[C@@H]1OC(=O)OCC ZINC000013783129 HH Annotated Mild CCCCN(CC)c1nc(C)nc2c1nnn2-c1c(Cl)cc(OC)cc1OC ZINC000013794940 HH Annotated Anodyne CN(C)c1cccc(CNCC2(F)CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000013797288 HH Annotated Anodyne Cc1ccc(C(=O)N2CCC(F)(CNCc3cccc(N(C)C)n3)CC2)cc1Cl ZINC000013797291 HH Annotated Anodyne Cc1c(F)c(N(C)c2cccc(C(=N)N)c2)nc(N(C)c2cccc(C(=N)N)c2)c1F ZINC000013797462 HH Annotated Anodyne CCOC(=O)CCCn1c(Nc2ccccc2)nc2cc(OC)c(OC)cc2c1=O ZINC000013800994 HH Annotated Anodyne NCc1nc(CN2CCN(C(=O)c3cccc4ccccc34)Cc3ccccc32)c[nH]1 ZINC000013803037 HH Annotated Anodyne O=S(=O)(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccccc2C1 ZINC000013803047 HH Annotated Anodyne C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1C(=O)c1ccccc1)C(C)(C)C ZINC000013806493 HH Annotated Mild CCOC(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 ZINC000013813450 HH Annotated Mild O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)N(CCO)CCO ZINC000013814743 HH Annotated Anodyne C[C@@]1(OC(=O)c2ccc(Cl)nc2)C(=O)C=C2C=C(c3ccsc3)OC=C2C1=O ZINC000013815639 HH Annotated Mild C[C@]1(OC(=O)c2ccc(Cl)nc2)C(=O)C=C2C=C(c3ccsc3)OC=C2C1=O ZINC000013815643 HH Annotated Mild O=S(=O)(Nc1c(Br)cc(Br)c2cccnc12)C1CC1 ZINC000013815851 HH Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccco2)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000013816616 HH Annotated Anodyne CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CC)C(=O)C2=CN1CCc1ccccn1 ZINC000013817190 HH Annotated Mild CCOCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(Cl)cc21 ZINC000013817192 HH Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CC)C(=O)C2=CN1CCc1ccccn1 ZINC000013817193 HH Annotated Mild CCOCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2c1ccc(F)c2F ZINC000013817195 HH Annotated Mild CCOCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2cc(F)cc(F)c21 ZINC000013817198 HH Annotated Mild CCOCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)c(F)c21 ZINC000013817201 HH Annotated Mild CCOCN1C2=C(C(=O)Nc3c(F)cccc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817207 HH Annotated Mild CCOCN1C2=C(C(=O)Nc3ccc(F)cc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817210 HH Annotated Mild CCOCN1C2=C(C(=O)Nc3ccc(C)s3)C(=O)CCN2c2ccc(F)cc21 ZINC000013817231 HH Annotated Mild CCOCN1C2=C(C(=O)Nc3sccc3Cl)C(=O)CCN2c2ccc(F)cc21 ZINC000013817235 HH Annotated Mild CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CC)C(=O)C2=CN1CCCOC(C)C ZINC000013817250 HH Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CC)C(=O)C2=CN1CCCOC(C)C ZINC000013817253 HH Annotated Mild CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CC)C(=O)C2=CN1CCCN(CC)CC ZINC000013817302 HH Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CC)C(=O)C2=CN1CCCN(CC)CC ZINC000013817305 HH Annotated Mild CCCCS(=O)(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000013817402 HH Annotated Anodyne CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000013817505 HH Annotated Anodyne C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)c1cccnc1)CC3 ZINC000013817526 HH Annotated Anodyne C=CC1=C2C=C(C3CC3)N(CC3CC3)C=C2C(=O)[C@](C)(OC(=O)c2ccco2)C1=O ZINC000013817670 HH Annotated Mild C=CC1=C2C=C(C3CC3)N(CC3CC3)C=C2C(=O)[C@@](C)(OC(=O)c2ccco2)C1=O ZINC000013817672 HH Annotated Mild C=CC1=C2C=C(C3CC3)N(CC(C)C)C=C2C(=O)[C@@](C)(OC(=O)c2ccco2)C1=O ZINC000013817791 HH Annotated Mild C=CC1=C2C=C(C3CC3)N(CC(C)C)C=C2C(=O)[C@](C)(OC(=O)c2ccco2)C1=O ZINC000013817794 HH Annotated Mild C[C@@]1(OC(=O)c2ccc(Cl)nc2)C(=O)Cc2cc(-c3ccsc3)ncc2C1=O ZINC000013817876 HH Annotated Anodyne C[C@]1(OC(=O)c2ccc(Cl)nc2)C(=O)Cc2cc(-c3ccsc3)ncc2C1=O ZINC000013817879 HH Annotated Anodyne COC(=O)C[N+]1(C)CCC(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)CC1 ZINC000013818044 HH Annotated Mild CN(CCCC(=O)NCC1=CCc2ccccc2[C@@H](CC(=O)O)C1)c1ccccn1 ZINC000013819504 HH Annotated Anodyne CN(CCCC(=O)NCC1=CCc2ccccc2[C@H](CC(=O)O)C1)c1ccccn1 ZINC000013819507 HH Annotated Anodyne Cc1cccn2cc(-c3ccc(NS(=O)(=O)CCCN4CCCCC4)cc3)nc12 ZINC000013819599 HH Annotated Anodyne CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2COC(C)=O)c1C ZINC000013820740 HH Annotated Anodyne CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2COC(C)=O)c1C ZINC000013820742 HH Annotated Anodyne Cc1nnc2n1-c1ccc(I)cc1[C@H](c1ccccc1F)NC2 ZINC000013821072 HH Annotated Anodyne Cc1nnc2n1-c1ccc(I)cc1[C@@H](c1ccccc1F)NC2 ZINC000013821074 HH Annotated Anodyne COc1ccc2c(C(=O)N(C)CC(=O)O)c(Br)ccc2c1C(F)(F)F ZINC000013823562 HH Annotated Anodyne N#CC(C#N)=C1Nc2ccccc2N1CCNCc1ccc(CN2CCCCC2)o1 ZINC000013825546 HH Annotated Reactive O=C1C[C@H](c2ccc(-c3ccccc3)cc2)N1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013828821 HH Annotated Bother CCC[C@@H]1CCCO[C@@](C(=O)NCc2ccc(S(C)(=O)=O)cc2)(C(F)(F)F)C1 ZINC000013829140 HH Annotated Anodyne O=S1(=O)[C@@H]2C[C@@H]3O[C@]2(C[C@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000013830976 HH Annotated Anodyne O=S1(=O)[C@@H]2C[C@@H]3O[C@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000013830978 HH Annotated Anodyne O=[N+]([O-])c1cccc(CN2[C@@H](COCc3ccccc3)CCC=CS2(=O)=O)c1 ZINC000013831016 HH Annotated Bother O=[N+]([O-])c1cccc(CN2[C@H](COCc3ccccc3)CCC=CS2(=O)=O)c1 ZINC000013831018 HH Annotated Bother CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C1=O ZINC000013832157 HH Annotated Anodyne CC1(C)C(=O)c2ccc(Br)cc2[C@@H](N2Cc3ccccc3C2=O)[C@@H]1O ZINC000013832187 HH Annotated Anodyne O=C(Cc1ccccn1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000013833449 HH Annotated Reactive N#Cc1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(C#N)cc4)cc3)cc2)cc1 ZINC000013837787 HH Annotated Mild Cn1c(-c2cccc(C(F)(F)F)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 ZINC000013861455 HH Annotated Mild C[C@H](NCCc1ccc(NC(C)(C)C(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 ZINC000013862644 HH Annotated Anodyne Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccnn2-c2ccccc2)cc1 ZINC000013864524 HH Annotated Anodyne NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000013878902 HH Annotated Bother NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000013878903 HH Annotated Bother Cc1c(/N=C2\NN=C(c3ccc(Cl)cc3)CS2)c(=O)n(-c2ccccc2)n1C ZINC000013879022 HH Annotated Mild COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@H](C)[C@@H]3OC(=O)C(C)C ZINC000013889785 HH Annotated Clean C=CCCCCC[C@@H](OC(C)=O)[C@H](CC#CC#C[C@H](C=C)OC(C)=O)OC(C)=O ZINC000013903647 HH Annotated Mild C[C@H]1CC[C@H]2[C@H](CN3CCCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@H](N3CCCCC3)[C@@H]12 ZINC000013907443 HH Annotated Anodyne COC(=O)[C@](F)([C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1)S(=O)(=O)c1ccccc1 ZINC000013983953 HH Annotated Anodyne O=C(Nc1ccc(F)cc1F)C1=CC2=N[C@@H]3CCCC[C@H]3[C@@H](C(F)(F)F)N2N1 ZINC000135675570 HH Annotated Anodyne CC1=C[C@]2(CC1)[C@H](C)CC[C@@H](C(C)C)[C@H]2NC(=O)C(C)(C)N1C(=O)CC[C@@H]1C(=O)O ZINC000135696912 HH Annotated Anodyne COc1cc([C@H]2Oc3cc(/C=C/CO)cc(OC)c3O[C@@H]2C)cc(OC)c1OC ZINC000135757280 HH Annotated Anodyne C=C1CC[C@@H]([C@H](CCC=C(C)C)CO[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C=C(C)CC[C@H]12 ZINC000136151613 HH Annotated Mild CC(C)c1c(O)n(-c2ccccc2)c(SCC(=O)NC2CCCCC2)nc1=O ZINC000136208361 HH Annotated Anodyne C[C@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@]4(O)[C@@H]3N2C1 ZINC000136283863 HH Annotated Anodyne C/C=C/[C@H](O)[C@](C)(O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C ZINC000136405215 HH Annotated Mild CCCCNC(=O)[C@@H](CC)Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1C ZINC000136476797 HH Annotated Anodyne CCCCNC(=O)[C@H](CC)Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1C ZINC000136476837 HH Annotated Anodyne CNC(=O)NCCCn1ccc2c(C(=O)OC)c3nc4ccccc4c3c(C)c2c1 ZINC000136550948 HH Annotated Anodyne COC(=O)c1c2ccn(CCNC(=O)N(C)N=O)cc2c(C)c2c1nc1ccccc12 ZINC000136551073 HH Annotated Reactive C/C=C\[C@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000136573951 HH Annotated Clean C[C@@H]1CCC/C=C/C=C/C(=O)C[C@@H](O)C/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1 ZINC000136723023 HH Annotated Mild OCC1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000136736608 HH Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=O)[C@@H]2CC[C@@H]3[C@@H](Cl)C(=O)CC[C@]3(C)[C@@H]12 ZINC000136770405 HH Annotated Reactive CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CC[C@@H]3[C@@H](Cl)C(=O)CC[C@]3(C)[C@@H]12 ZINC000136770458 HH Annotated Reactive CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=O)[C@@H]2CC[C@@H]3[C@@H](Cl)C(=O)CC[C@]3(C)[C@H]21 ZINC000136770511 HH Annotated Reactive O=C(Nc1cccnc1)C(=O)c1cc(Cc2ccc([N+](=O)[O-])cc2)n2ccccc12 ZINC000136906455 HH Annotated Bother COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](OC(C)=O)[C@@]12C ZINC000136937303 HH Annotated Anodyne O=C(Nc1ccc(F)cc1F)C1=CC2=N[C@@H]3CCCC[C@@H]3[C@@H](C(F)(F)F)N2N1 ZINC000137025480 HH Annotated Anodyne COc1c(N/C=C2\C(=O)N(c3ccccc3C)N=C2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000137382723 HH Annotated Clean CCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1 ZINC000137486778 HH Annotated Anodyne CC[C@@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1 ZINC000137492073 HH Annotated Anodyne CC[C@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1 ZINC000137492169 HH Annotated Anodyne CC[C@@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C ZINC000137499772 HH Annotated Anodyne CC[C@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C ZINC000137499845 HH Annotated Anodyne CN1C(=O)[C@@](CCC2CCCCC2)(C[C@@H]2CCN(C(=O)CC3CCCC3)C2)N=C1N ZINC000137577103 HH Annotated Anodyne CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCN(C(=O)CC3CCCC3)C2)N=C1N ZINC000137577170 HH Annotated Anodyne in-vitro Cn1ccc2c3nc4ccc(Br)cc4c4c3c(c(=O)c-2c1)[N+](C)(C)CC4=O ZINC000137617020 HH Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@H](C(=O)[C@H](OC(C)=O)[C@@H]3C(C)C)[C@H]3OCC1=C32 ZINC000137637491 HH Annotated Anodyne CC(C)[C@@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 ZINC000137828516 HH Annotated Anodyne N=C1ON=C(N)[C@@H]1[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000137854152 HH Annotated Anodyne N=C1ON=C(N)[C@@H]1[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000137854263 HH Annotated Anodyne COc1ccc(-c2csc([C@@H](C#N)C(=O)CSc3nccn3C)n2)cc1OC ZINC000138007307 HH Annotated Mild C=C1c2ccoc2C[C@H]2[C@H]1CC[C@@]1(O)C(C)(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]21C ZINC000138026689 HH Annotated Mild CC(=O)N[C@@H](COC(C)=O)[C@H](O)[C@@H](CCCCCCCCCC(C)C)OC(C)=O ZINC000138120159 HH Annotated Anodyne CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3[C@@H](OC(C)=O)C[C@@]12O ZINC000138136120 HH Annotated Anodyne CC(=O)O[C@H]1CC(=O)[C@H]([C@H]2[C@H](C=O)[C@H](OC(C)=O)C[C@H]2/C(C)=C\CC=C(C)C)[C@@H]1C ZINC000138136226 HH Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CC#N)C2)[C@]13C(=O)O ZINC000138220661 HH Annotated Mild O=C1C[C@@H]2c3ccccc3CCN2C(=O)[C@@H]1/C=N\OCc1ccc(C(F)(F)F)cc1 ZINC000138234778 HH Annotated Mild CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 ZINC000138256575 HH Annotated Clean CCCCNC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1 ZINC000138390796 HH Annotated Anodyne CC(=O)NC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000138583326 HH Annotated Reactive CC1=C2CC[C@](C)(O)[C@@H](O)C[C@H]2[C@](C)([C@@H]2CC[C@](C)(O)[C@H](Br)C2)C1 ZINC000138701727 HH Annotated Reactive CCOCc1c(Br)c(O)c(O)c(Br)c1Br ZINC000138792875 HH Annotated Clean C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000138839811 HH Annotated Anodyne COc1ccc([C@H]2O[C@](OC)(c3ccc(OC)c(OC)c3)[C@](C)(O)[C@@H]2C)cc1OC ZINC000139025733 HH Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1cccnc1)c1ccc(F)cc1 ZINC000139044908 HH Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cc1cccnc1)c1ccc(F)cc1 ZINC000139045019 HH Annotated Anodyne C=C1c2ccoc2C[C@H]2[C@H]1C[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C ZINC000139048072 HH Annotated Mild O=C(c1cccc(N2CCCCC2)n1)N(C1CC1)[C@@H]1CC[C@@](O)(C(F)(F)F)CC1 ZINC000139430091 HH Annotated Anodyne C=C(C)[C@H]1CC[C@](C)(O)[C@@H](O)[C@@H]1CC(=C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 ZINC000139465619 HH Annotated Reactive C=C(C)[C@H]1CC[C@@](C)(O)[C@H](O)[C@@H]1CC(=C)[C@@H]1CC[C@](C)(O)[C@H](Br)C1 ZINC000139465858 HH Annotated Reactive CCCC[C@H]1C(=O)O[C@@H]2O[C@]3(CCC(=O)OCC)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000139543242 HH Annotated Reactive COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]23[C@@H](OC)OC[C@H]13 ZINC000139561296 HH Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nccnn4)ccn23)c1 ZINC000139596524 HH Annotated Anodyne CCn1c(C)nnc1[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000139744293 HH Annotated Anodyne CCn1c(C)nnc1[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000139744432 HH Annotated Anodyne COc1cc2c(cc1O)C[C@@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C ZINC000139752053 HH Annotated Anodyne in-vitro O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NC3CCNCC3)ncc12 ZINC000139801618 HH Annotated Bother Cn1ccc2cc(-c3nccnc3C3CN(c4ncc5ccccc5n4)C3)ccc2c1=O ZINC000139802166 HH Annotated Anodyne C=CCCCCCCCCCC[C@]1(O)C=CC2=[N+](CCCCN=C(N)N)CCCN21 ZINC000139860633 HH Annotated Mild CCOC(=O)CCCCCNC(=O)n1ccc(C(=O)Nc2ccc(F)cc2Cl)n1 ZINC000139872550 HH Annotated Anodyne CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000014361066 HH Annotated Anodyne CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C ZINC000014361069 HH Annotated Anodyne COc1cc2c(cc1-c1c3c(cc4c(OC)c5c(cc14)OCO5)C(=O)OC3)OCO2 ZINC000014435082 HH Annotated Anodyne COc1cc2c(OC)c3c(c(-c4cc5c(cc4O)OCO5)c2cc1OC)COC3=O ZINC000014435089 HH Annotated Anodyne CC(C)(COC(=O)c1ccc2c(c1)OCO2)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000014454969 HH Annotated Mild in-vitro biogenic C=C(C)[C@H](O)Cc1c2c(c(O)c3c(=O)c4cccc(O)c4n(C)c13)C=CC(C)(C)O2 ZINC000014489266 HH Annotated Mild Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1csc(C(C)(C)C)n1 ZINC000140008210 HH Annotated Anodyne CN(C)C(=O)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 ZINC000140133100 HH Annotated Anodyne N[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccccc3F)n2)CC[C@@H]1O ZINC000140136459 HH Annotated Anodyne CC1(c2cc(NC(=O)n3ccc4cc(Oc5ncnc6c5CNC6)ccc43)no2)CC1 ZINC000140251707 HH Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@H](C)[C@@H]2O ZINC000140302059 HH Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@@H]2O ZINC000140302228 HH Annotated Anodyne O=C(N[C@H]1CCC[C@@H]1O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 ZINC000140343014 HH Annotated Anodyne COC(=O)C[C@H]1C(=O)O[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]1COC(C)=O ZINC000140345710 HH Annotated Anodyne C[C@H](NC(=O)[C@]1([S@@](C)=O)[C@H](C)C1(Cl)Cl)c1ccc(Br)cc1 ZINC000140378101 HH Annotated Anodyne in-vivo CN1O[C@@]2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1 ZINC000140414930 HH Annotated Anodyne CN1O[C@]2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1 ZINC000140415063 HH Annotated Anodyne C[C@@H](CC(=O)N1C(=O)C(C)(C)[C@@H](O)[C@H]1C[C@@H](C)C(Cl)Cl)C(Cl)Cl ZINC000140459963 HH Annotated Reactive CC(=O)O[C@H]1CC(=O)[C@H]([C@@H]2[C@H](/C(C)=C\CC=C(C)C)C[C@@H](OC(C)=O)[C@H]2CO)[C@@H]1C ZINC000140485149 HH Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CN(C)C)C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]2O[C@@]12C ZINC000140506638 HH Annotated Anodyne CC1=C[C@]2(C)/C=C(C)\C=C/C[C@@H](O)/C=C3/C=C/C(=C4/C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3 ZINC000140559246 HH Annotated Mild CC1(C)CN(c2ccc(C#CC=C3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2)C1=O ZINC000140581276 HH Annotated Anodyne C/C(=C\C=C\C=C\C=C\[C@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C)[C@@H]1O[C@@H](C)C=C[C@@]1(C)O ZINC000140620003 HH Annotated Anodyne CO[C@H]1[C@H]2C[C@@H](C(C)C)[C@]3(CC[C@]4(C)[C@@H](Br)C[C@H](O)[C@@](C)(O)[C@H]4[C@H]13)C2 ZINC000140631145 HH Annotated Reactive COC(=O)/C=C(/C)CC/C=C\[C@H](C)CC[C@@H]1CCC[C@](O)([C@@H]2CSC(=O)N2)O1 ZINC000140636114 HH Annotated Anodyne COC(=O)/C=C(/C)CC/C=C\[C@H](C)CC[C@@H]1CCC[C@](O)([C@H]2CSC(=O)N2)O1 ZINC000140636410 HH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cn1 ZINC000140696118 HH Annotated Anodyne CCCS(=O)(=O)NCCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N)CC2 ZINC000140761282 HH Annotated Anodyne CCCS(=O)(=O)NCCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 ZINC000140761444 HH Annotated Anodyne CCCS(=O)(=O)NCCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](N)CC2 ZINC000140761611 HH Annotated Anodyne CCCS(=O)(=O)NCCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 ZINC000140761775 HH Annotated Anodyne C[S@](=O)(=NC(=O)c1ccccc1)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000141017272 HH Annotated Bother COC1CCC2(CC1)Cc1ccc(CCc3ccccc3)cc1[C@]21N=C(N)N(C)O1 ZINC000141019176 HH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(CCc3ccccc3)cc1[C@@]21N=C(N)N(C)O1 ZINC000141019342 HH Annotated Anodyne C/C(=C\[C@H](O)[C@H](C)O)[C@@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@@]21C ZINC000141030191 HH Annotated Mild C/C(=C\[C@H](O)[C@@H](C)O)[C@@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@@]21C ZINC000141030395 HH Annotated Mild C/C(=C\[C@H](O)[C@@H](C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C ZINC000141030586 HH Annotated Mild Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cn1 ZINC000141065704 HH Annotated Anodyne C/C=C/[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C ZINC000141066390 HH Annotated Mild COc1cc(C2=C(c3ccc4ccccc4c3)C(=O)N(OC)C2=O)cc(OC)c1OC ZINC000141089533 HH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cn1 ZINC000141104339 HH Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCN(C4CCCCC4)CC3)[C@@H]2CC1 ZINC000141174130 HH Annotated Anodyne COCCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2C)CC3)cn1 ZINC000141186790 HH Annotated Anodyne CCN(c1ccc(-c2csc(Cc3ncc(Cl)n3C)n2)cc1)S(C)(=O)=O ZINC000141297887 HH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2O)cn1 ZINC000141305026 HH Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CN4C[C@@H](CC[C@@]5(CC[C@@H]1[C@H]52)C4)[C@@]31CC[C@](OC)(C(C)C)OC1 ZINC000141428286 HH Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N2CCOCC2)cn1 ZINC000141428427 HH Annotated Anodyne COc1cc(C[C@H](C)Oc2c(OC)cc(/C=C/C=O)cc2OC)cc(OC)c1OC ZINC000141641628 HH Annotated Reactive Cc1onc(-c2cccc(F)c2)c1COc1ccc(C(=O)N2CCSCC2)cn1 ZINC000141762683 HH Annotated Anodyne Cn1c2c(c(=O)n1-c1cccc(I)c1)[C@H]1CC[C@]2(C)C1(C)C ZINC000141795126 HH Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(N)=O)c2)cc(-c2cc3ccccc3n2C)n1 ZINC000141802015 HH Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(N)=O)c2)cc(-c2cc3ccccc3n2C)n1 ZINC000141802214 HH Annotated Anodyne C[C@@H](Oc1nc(-c2ccc(C(F)(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141839235 HH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCC(C)C)cc1[C@@]21N=C(N)N(C(C)C)C1=O ZINC000141842805 HH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCC(C)C)cc1[C@]21N=C(N)N(C(C)C)C1=O ZINC000141843025 HH Annotated Anodyne COc1ccc([C@@H](OC(C)=O)[C@H]2CO[C@@H](c3ccc(O)cc3)[C@@H]2COC(C)=O)cc1 ZINC000141884280 HH Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]12 ZINC000141887946 HH Annotated Mild CC[C@@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141931844 HH Annotated Anodyne CC[C@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141932029 HH Annotated Anodyne CCC[C@@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141938873 HH Annotated Anodyne CCC[C@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141939069 HH Annotated Anodyne COc1ccc(-c2cc3ncccc3c(O[C@@H](C(C)C)[C@H]3CNC(=O)C3)n2)cc1OC ZINC000141940770 HH Annotated Anodyne COc1ccc(-c2cc3ncccc3c(O[C@H](C(C)C)[C@H]3CNC(=O)C3)n2)cc1OC ZINC000141940976 HH Annotated Anodyne COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(C)c1OC ZINC000141946437 HH Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1OC(C)C ZINC000141947589 HH Annotated Anodyne COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC(C)C ZINC000141949113 HH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H](CO)CC(C)C)cn1 ZINC000141958516 HH Annotated Anodyne CN1O[C@@]2(N=C1N)c1cc(Br)ccc1OC21CCc2ccccc2CC1 ZINC000141970613 HH Annotated Anodyne CN1O[C@]2(N=C1N)c1cc(Br)ccc1OC21CCc2ccccc2CC1 ZINC000141970859 HH Annotated Anodyne COc1ccc(-n2cc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cn2)cc1 ZINC000142033556 HH Annotated Anodyne COc1ccc(-n2cc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cn2)cc1 ZINC000142033750 HH Annotated Anodyne O=c1cc(-c2ccc(C(F)(F)F)cc2)ccn1-c1ccn2c3c(nc2c1)CCNC3 ZINC000142045864 HH Annotated Anodyne COc1cccc(-n2cc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cn2)c1 ZINC000142059151 HH Annotated Anodyne COc1cccc(-n2cc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cn2)c1 ZINC000142059353 HH Annotated Anodyne COc1ccccc1-c1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 ZINC000142075453 HH Annotated Anodyne COc1ccccc1-c1noc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 ZINC000142075625 HH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(-c3cccc(F)c3)no2)n1 ZINC000142075836 HH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(-c3cccc(F)c3)no2)n1 ZINC000142076055 HH Annotated Anodyne Cc1c([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)nnn1-c1ccccc1 ZINC000142076688 HH Annotated Anodyne Cc1c([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)nnn1-c1ccccc1 ZINC000142076895 HH Annotated Anodyne COc1cccc(-c2noc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)c1 ZINC000142079141 HH Annotated Anodyne COc1cccc(-c2noc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)c1 ZINC000142079340 HH Annotated Anodyne Cc1ccc(-c2noc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)cc1 ZINC000142081083 HH Annotated Anodyne Cc1ccc(-c2noc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)cc1 ZINC000142081270 HH Annotated Anodyne C[C@H](Nc1ncc(F)c(N2CCOC2=O)n1)c1cc(F)c(Br)cc1F ZINC000142095344 HH Annotated Anodyne Cc1cccc(-c2noc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)c1 ZINC000142110933 HH Annotated Anodyne Cc1cccc(-c2noc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)c1 ZINC000142111147 HH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(Br)cn2)n1 ZINC000142123536 HH Annotated Anodyne Cc1ccccc1-c1noc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 ZINC000142132139 HH Annotated Anodyne Cc1ccccc1-c1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 ZINC000142132346 HH Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc(-c2ccc3ccn(C)c3c2)n1 ZINC000142177519 HH Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc(-c2ccc3ccn(C)c3c2)n1 ZINC000142177722 HH Annotated Anodyne N[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1 ZINC000142222039 HH Annotated Anodyne N[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1 ZINC000142222262 HH Annotated Anodyne N[C@@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1 ZINC000142222469 HH Annotated Anodyne N[C@H]1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1 ZINC000142222659 HH Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2cnn3Cc2ccccc2)nc1 ZINC000142234680 HH Annotated Anodyne Cc1ccc(-n2ncc3c(-c4ccc(C)cn4)cc(C(=O)N[C@@H](C)CO)cc32)cc1 ZINC000142239091 HH Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2cnn3-c2ccccc2C)nc1 ZINC000142239320 HH Annotated Anodyne Cc1cc2c(C(=O)O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 ZINC000142245517 HH Annotated Anodyne CNc1nc2cc(O)c(O)cc2cc1Cc1c(O)nc(C)c2cc(OC)c(OC)cc12 ZINC000142281199 HH Annotated Anodyne Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCSCC2)cn1 ZINC000142326544 HH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCOCC2(C)C)cn1 ZINC000142329550 HH Annotated Anodyne C=C(C(=O)OC)[C@@H]1CC[C@@](C)(O)[C@H](OC(C)=O)CC/C(C)=C/CC[C@]2(C)O[C@H]2C1 ZINC000142375158 HH Annotated Mild Brc1cc(Br)c2nc(SCCN3CCOCC3)[nH]c2c1 ZINC000142423740 HH Annotated Anodyne COC(=O)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000142432780 HH Annotated Anodyne COC(=O)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000142433001 HH Annotated Anodyne COC(=O)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000142433237 HH Annotated Anodyne COC(=O)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000142433446 HH Annotated Anodyne Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCOCC3)cn2)cc1 ZINC000142460331 HH Annotated Anodyne C[C@@H](O)/C=C/[C@](C)(O)[C@H]1CC[C@H]2C=C([C@H]3CC[C@H]4C(=O)C[C@H](O)CC=C43)C[C@]21C ZINC000142509420 HH Annotated Anodyne Cc1nc(-c2cc(-c3cnc(NC(=O)c4ccccc4Cl)s3)n(C)n2)no1 ZINC000142576306 HH Annotated Anodyne COC[C@@H](C)NC(=O)c1cc(NC(=O)c2cc(C)nn2C)cc(-c2ccc(C)cc2)c1 ZINC000142624333 HH Annotated Anodyne COC[C@H](C)NC(=O)c1cc(NC(=O)c2cc(C)nn2C)cc(-c2ccc(C)cc2)c1 ZINC000142624552 HH Annotated Anodyne COC[C@@H](C)NC(=O)c1cc(NC(=O)c2cc(C)on2)cc(-c2ccc(C)cc2)c1 ZINC000142625583 HH Annotated Anodyne COC[C@H](C)NC(=O)c1cc(NC(=O)c2cc(C)on2)cc(-c2ccc(C)cc2)c1 ZINC000142625806 HH Annotated Anodyne COCC(=O)N(C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000142641520 HH Annotated Anodyne COCC(=O)N(C)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000142641711 HH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)C2CCOCC2)cn1 ZINC000142659079 HH Annotated Anodyne CC(C)C(=O)N(C)c1cc(C(=O)NCc2cnccn2)cc(-c2ccc(Cl)cn2)c1 ZINC000142662003 HH Annotated Anodyne C[C@@H](c1ccc(-c2ccc(C(=O)N(C)C)nc2)cc1)N1CC[C@@]2(CC[C@H](O)C2)OC1=O ZINC000142701722 HH Annotated Anodyne CCN(CC)C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F)C(C)C ZINC000142879524 HH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCc2ccccn2)cn1 ZINC000142893556 HH Annotated Anodyne Cn1ccc(-c2cnn3c(=O)cc(-c4ccc(Cl)c(OCC(F)(F)F)c4)[nH]c23)n1 ZINC000142916255 HH Annotated Anodyne CCCN(CC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F ZINC000142927545 HH Annotated Anodyne CCN(C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F)C(C)C ZINC000142944374 HH Annotated Anodyne CCCCN(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F ZINC000142962614 HH Annotated Anodyne CC(C)(CO)CNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 ZINC000142964047 HH Annotated Anodyne NC(=O)c1cc(-c2ncnn3cccc23)cn1-c1cc(C(F)(F)F)ccc1Cl ZINC000143024963 HH Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1 ZINC000143041328 HH Annotated Anodyne O=C(NCCC1OCCO1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000143139490 HH Annotated Anodyne CC(C)=C[C@H]1O[C@@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@H]3[C@@H](C)CC[C@H]3[C@H](C)[C@]12O ZINC000143162684 HH Annotated Anodyne CC(C)=C[C@H]1O[C@@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@@H]3[C@@H](C)CC[C@H]3[C@H](C)[C@]12O ZINC000143163087 HH Annotated Anodyne O=C(Nc1cc[nH]c(=O)c1)c1cc(OC(F)(F)F)ccc1OCCC(F)(F)F ZINC000143172623 HH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCCCCCO)cn1 ZINC000143174828 HH Annotated Anodyne O=C(c1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 ZINC000143271616 HH Annotated Anodyne O=C(c1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 ZINC000143271829 HH Annotated Anodyne CC(C)(O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000143277360 HH Annotated Anodyne CC(C)(O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000143277542 HH Annotated Anodyne CC(=O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000143279378 HH Annotated Anodyne CC(=O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000143279585 HH Annotated Anodyne CC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000143279787 HH Annotated Anodyne CC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000143279983 HH Annotated Anodyne CN(C)C(=O)C1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1 ZINC000143327538 HH Annotated Anodyne CN(C)C(=O)C1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1 ZINC000143327738 HH Annotated Anodyne CC(=O)N(C)CCn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000143335675 HH Annotated Anodyne CC(=O)N(C)CCn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000143335892 HH Annotated Anodyne C[C@H](Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12)c1ccccc1 ZINC000143350563 HH Annotated Anodyne CN(C)C(=O)CCn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000143358624 HH Annotated Anodyne CN(C)C(=O)CCn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000143358856 HH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC[C@@H]2CCCOC2)cn1 ZINC000143364726 HH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC[C@H]2CCCOC2)cn1 ZINC000143364954 HH Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccccc43)cc21 ZINC000143453162 HH Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)nc1 ZINC000143506496 HH Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)nc1 ZINC000143506731 HH Annotated Anodyne COc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143507332 HH Annotated Anodyne COc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143507534 HH Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2)c1Cl ZINC000143507883 HH Annotated Anodyne Cn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1 ZINC000143540733 HH Annotated Anodyne O=C(NC1CCOCC1)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 ZINC000143598505 HH Annotated Anodyne CN1Cc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccccc43)cc2NC1=O ZINC000143653017 HH Annotated Anodyne CCN(CCn1ccc(-c2ccc(F)cc2)n1)C(=O)c1cc(C)ccc1-n1nccn1 ZINC000143659400 HH Annotated Anodyne O=C1CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccccc43)cc2N1 ZINC000143663766 HH Annotated Anodyne O=C1[C@H]2C[C@](O)(CNc3ccccc3)C[C@H]2CN1c1ccc(OC(F)(F)F)cc1 ZINC000143687499 HH Annotated Anodyne O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)C1 ZINC000143722987 HH Annotated Anodyne CCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1 ZINC000143725759 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@]34CNC(=O)[C@H]3C4)nn2-c2ccccc2)c1 ZINC000143737935 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@]34CNC(=O)[C@H]3C4)nn2-c2ccccc2)c1 ZINC000143738145 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@]34CNC(=O)[C@@H]3C4)nn2-c2ccccc2)c1 ZINC000143738363 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@]34CNC(=O)[C@@H]3C4)nn2-c2ccccc2)c1 ZINC000143738542 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)NC3)nn2-c2ccccc2)c1 ZINC000143745431 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CCC(=O)NC3)nn2-c2ccccc2)c1 ZINC000143745598 HH Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)NC(=O)c1ccccc1N2 ZINC000143754815 HH Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)NC(=O)c1ccccc1N2 ZINC000143755021 HH Annotated Anodyne C[C@@H]1c2ccc3c(c2[C@@]2(O)C[C@H]4CC[C@@H]1N2C4)C[C@H]1[C@H]3C[C@@H](O)[C@H]2C[C@@H](O)CC[C@@]21C ZINC000143776938 HH Annotated Anodyne C[C@@H]1c2ccc3c(c2[C@@]2(O)C[C@H]4CC[C@@H]1N2C4)C[C@H]1[C@H]3CC(=O)[C@H]2C[C@@H](O)CC[C@@]21C ZINC000143777317 HH Annotated Anodyne CNC(=O)c1cccc(F)c1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000143821103 HH Annotated Anodyne CNC(=O)c1cc(F)ccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000143821353 HH Annotated Anodyne c1cc(C2=NCCCN2)ccc1OCCCCCOc1ccc(C2=NCCCN2)cc1 ZINC000143824502 HH Annotated Anodyne in-vitro CN(C)CC[C@H](c1ccccc1)n1cc(NC(=O)c2n[nH]c3c2CCC(C)(C)C3)cn1 ZINC000143826055 HH Annotated Anodyne C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)CNC(=O)O3)CCN1C1CCCCC1 ZINC000143831988 HH Annotated Anodyne CNC(=O)c1ccc(F)cc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000143897458 HH Annotated Anodyne O=C(O)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@@H]4CC2C[C@H](C4)C3)c1=O ZINC000143917795 HH Annotated Anodyne O=C(O)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@@H]4CC2C[C@@H](C4)C3)c1=O ZINC000143917995 HH Annotated Anodyne O=C(O)c1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@H]4CC2C[C@@H](C4)C3)c1=O ZINC000143918189 HH Annotated Anodyne CNC(=O)c1ccccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000144123424 HH Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN[C@@H](C)C2)cc1 ZINC000144178068 HH Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cnn(-c4ccccc4)c3C2)CCO[C@@H]1c1cc(F)ccc1F ZINC000144194816 HH Annotated Anodyne N#Cc1ccc(F)c(C(=O)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1 ZINC000144246562 HH Annotated Anodyne Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(O[C@@H]2CCNC2)n1 ZINC000144301403 HH Annotated Anodyne Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(O[C@H]2CCNC2)n1 ZINC000144301629 HH Annotated Anodyne Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 ZINC000144310872 HH Annotated Anodyne COc1ccc(CC2CCN(c3nc4cnncc4nc3NC(C)C)CC2)c(F)c1 ZINC000144323765 HH Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(CN(C)C)cc21 ZINC000144324306 HH Annotated Anodyne Cc1cc([C@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 ZINC000144333013 HH Annotated Anodyne Cc1cc2nc(NC3CC3)c(N3CCC(Cn4cc(Cl)ccc4=O)CC3)nc2cn1 ZINC000144341443 HH Annotated Anodyne CC(C)Nc1nc2ccc(C#N)cc2nc1N1CCN(Cc2cc(F)ccc2F)CC1 ZINC000144344707 HH Annotated Anodyne COCCNc1nc2ccncc2nc1N1CCC(Cc2ccc(F)cc2F)CC1 ZINC000144349790 HH Annotated Anodyne O=C(c1ccc(F)c(F)c1)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000144359278 HH Annotated Anodyne N#Cc1ccc2nc(NC3CC3)c(N3CCN(Cc4cc(F)ccc4F)CC3)nc2c1 ZINC000144365492 HH Annotated Anodyne Cc1ccc(C(=O)NC2COC2)c(F)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144378650 HH Annotated Anodyne Fc1cc(Cl)ccc1OC1CCN(c2nc3cnncc3nc2NC2CC2)CC1 ZINC000144420107 HH Annotated Anodyne COc1ccccc1C(=O)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000144423958 HH Annotated Anodyne C[C@@H](O)c1ccc(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1 ZINC000144461952 HH Annotated Anodyne C[C@H](O)c1ccc(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1 ZINC000144462168 HH Annotated Anodyne Fc1cnc(Cl)c(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1 ZINC000144510962 HH Annotated Anodyne CC(=O)c1ccc(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1 ZINC000144512217 HH Annotated Anodyne O=C(c1c(F)cccc1F)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000144514812 HH Annotated Anodyne CC(C)Nc1nc2cnncc2nc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000144515051 HH Annotated Anodyne C#Cc1cc(Oc2cnc(NCCN3CCCCC3)nc2N)c(C(C)C)cc1OC ZINC000144767888 HH Annotated Anodyne CN(C)C(=O)c1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144815828 HH Annotated Anodyne CN(C)C(=O)c1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144816039 HH Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CCC3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144816243 HH Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CCC3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144816432 HH Annotated Anodyne Cn1cc(-c2cc(OCCCO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144855397 HH Annotated Anodyne Cn1cc(-c2cc(OCCCO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144855578 HH Annotated Anodyne Cn1cc(-c2cc(OCCC(=O)O)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144855786 HH Annotated Anodyne Cn1cc(-c2cc(OCCC(=O)O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144855979 HH Annotated Anodyne CC(C)NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144874371 HH Annotated Anodyne CC(C)NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144874580 HH Annotated Anodyne CNC(=O)Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144874806 HH Annotated Anodyne CNC(=O)Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144874986 HH Annotated Anodyne NC(=O)CCn1cc(-c2cc(Cl)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000144875984 HH Annotated Anodyne NC(=O)CCn1cc(-c2cc(Cl)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000144876155 HH Annotated Anodyne O=C(O)CCn1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144883460 HH Annotated Anodyne O=C(O)CCn1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144883662 HH Annotated Anodyne Cn1cc(-c2cc(N3CCOCC3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144892434 HH Annotated Anodyne Cn1cc(-c2cc(N3CCOCC3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144892604 HH Annotated Anodyne O=C1CCCN1CCCc1cc(CO)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144923448 HH Annotated Anodyne O=C1CCCN1CCCc1cc(CO)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144923638 HH Annotated Anodyne CC(C)(O)Cn1cc(-c2cc(CO)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000144924893 HH Annotated Anodyne CC(C)(O)Cn1cc(-c2cc(CO)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000144925108 HH Annotated Anodyne CC(C)(C(N)=O)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144940690 HH Annotated Anodyne CC(C)(C)c1nc2c(s1)CCc1nc(NC(=O)N3CCC[C@@]3(C)C(N)=O)sc1-2 ZINC000144962035 HH Annotated Anodyne CCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)O)c(CCC)c1 ZINC000014516276 HH Annotated Anodyne C/C=C/C[C@](C)(O)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000014517598 HH Annotated Clean Cc1c(O)c(C(=O)[C@H](O)Cc2ccccc2)c2oc(=O)cc(-c3ccccc3)c2c1O ZINC000014556215 HH Annotated Anodyne Cc1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C(=O)[C@](O)(Cc1ccccc1)O2 ZINC000014556231 HH Annotated Anodyne COc1ccc([C@H]2OC[C@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)cc1OC ZINC000014585227 HH Annotated Anodyne in-vitro biogenic COc1ccc([C@H]2OC[C@@H]3[C@@H](c4cc(O)c(OC)c(OC)c4)OC[C@H]23)cc1OC ZINC000014585236 HH Annotated Anodyne CCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C(=O)CC)c(O)c(C)c2OC)c1O ZINC000014587073 HH Annotated Anodyne COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc(C(C)=O)n2)n1)OC ZINC000014588205 HH Annotated Anodyne Cc1cc2c(c(C)c1CCO)C(=O)/C(=C/c1cc3c(c(C)c1CCO)C(=O)CC3)C2 ZINC000014594726 HH Annotated Mild in-vitro biogenic Cc1cc2c(c(C)c1CCO)C(=O)[C@H]([C@@H]1OCCc3c1cc1c(c3C)C(=O)CC1)C2 ZINC000014594730 HH Annotated Anodyne in-vitro biogenic Cc1cc2c(c(C)c1CCO)C(=O)[C@@H]([C@@H]1OCCc3c1cc1c(c3C)C(=O)CC1)C2 ZINC000014594731 HH Annotated Anodyne Cc1cc2c(c(C)c1CCO)C(=O)[C@H]([C@H]1OCCc3c1cc1c(c3C)C(=O)CC1)C2 ZINC000014594732 HH Annotated Anodyne Cc1cc2c(c(C)c1CCO)C(=O)[C@@H]([C@H]1OCCc3c1cc1c(c3C)C(=O)CC1)C2 ZINC000014594733 HH Annotated Anodyne CC[C@@H](C)C(=O)C1=C2C3=COC(c4c(C)cccc4O)=CC3=CC(=O)[C@@]2(C)OC1=O ZINC000014610756 HH Annotated Mild COc1c(C)c(OC(=O)c2c(C)c(C=O)c(O)c(C=O)c2O)c(C)c(C)c1Cl ZINC000014613423 HH Annotated Anodyne Cc1cc(O)cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(O)cc3O)cc2O)c1 ZINC000014618447 HH Annotated Anodyne COc1cc(-c2c3c(cc4c(OC)c5c(cc24)OCO5)COC3=O)cc(OC)c1OC ZINC000014638393 HH Annotated Anodyne COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4OC)OCO5)OC[C@H]23)cc1OC ZINC000014641277 HH Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(OC)c(OC)cc3c1[C@H](CC2)[N+](C)([O-])CC3 ZINC000014645597 HH Annotated Bother O=C1C[C@H](c2ccccc2)NCCCN(C(=O)/C=C/c2ccccc2)CC/C=C/N1 ZINC000014649846 HH Annotated Anodyne C[n+]1ccc2c(c1)c(O)c1c3c(c4cc(Br)ccc4nc32)C(=O)C[N+]1(C)C ZINC000014650145 HH Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2c(ccc3ccc(OC(C)=O)c(OC(C)=O)c32)c1 ZINC000014650953 HH Annotated Bother COc1c(OC)c(N(C)C)c2c(c1SSC)[C@](OC)(C(C)=O)SCC2 ZINC000014676798 HH Annotated Reactive COc1cc(C2(c3cc(OC)c(O)c(OC)c3)OC[C@H](C)[C@H]2C)cc(OC)c1O ZINC000014689329 HH Annotated Anodyne CC(=O)[C@H](O)[C@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@@H]1O ZINC000014691245 HH Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000014692407 HH Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@H](C)[C@@](C)(O)C2 ZINC000014692438 HH Annotated Anodyne COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](O)[C@H](C)[C@H](C)C3)OCO2 ZINC000014692452 HH Annotated Anodyne COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](O)[C@H](C)[C@@H](C)C3)OCO2 ZINC000014692454 HH Annotated Anodyne in-vitro biogenic COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](O)[C@@H](C)[C@@H](C)C3)OCO2 ZINC000014692458 HH Annotated Anodyne CCCc1cc(OC)cc(O)c1C(=O)Oc1c(OC)cc(CCC)c(C(=O)O)c1O ZINC000014695469 HH Annotated Anodyne CCCc1cc(O)cc(O)c1C(=O)Oc1c(OC)cc(CCC)c(C(=O)O)c1O ZINC000014695475 HH Annotated Anodyne CCCc1cc(OC)cc(O)c1C(=O)Oc1c(O)cc(CCC)c(C(=O)OC)c1O ZINC000014695477 HH Annotated Anodyne CCCc1cc(O)cc(OC)c1C(=O)Oc1c(OC)cc(CCC)c(C(=O)O)c1O ZINC000014695481 HH Annotated Anodyne CCCc1cc(O)cc(O)c1C(=O)Oc1c(O)cc(CCC)c(C(=O)O)c1OC ZINC000014695483 HH Annotated Anodyne COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C[C@@]3(O)CCCN3C2)cc1OC ZINC000014696014 HH Annotated Anodyne CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O ZINC000014745821 HH Annotated Clean CC(=O)OC[C@@H](CCC[C@H](C)CO)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O ZINC000014763684 HH Annotated Clean CC1(C)C=Cc2c(c([C@@H](O)[C@@H]3OC3(C)C)c3oc4ccc(O)cc4c(=O)c3c2O)O1 ZINC000014768884 HH Annotated Bother C=C(C)[C@@H](O)Cc1cc(/C=C/C(=O)c2cc(C[C@@H](O)C(=C)C)c(O)cc2O)ccc1O ZINC000014780731 HH Annotated Mild C=C(C)[C@H](O)Cc1cc(/C=C/C(=O)c2cc(C[C@@H](O)C(=C)C)c(O)cc2O)ccc1O ZINC000014780734 HH Annotated Mild C=C(C)[C@@H](O)Cc1cc(/C=C/C(=O)c2cc(C[C@H](O)C(=C)C)c(O)cc2O)ccc1O ZINC000014780737 HH Annotated Mild C=C(C)[C@@H](O)Cc1cc(C(=O)/C=C/c2ccc(O)c(C[C@@H](O)C(=C)C)c2)c(O)cc1O ZINC000014780740 HH Annotated Mild C=C[C@H](OC(=O)/C(=C\C)COC(=O)/C(C)=C/C)c1cc(OC)c(OC)c(OC)c1 ZINC000014818174 HH Annotated Mild COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)C[C@]1(O)CCCN1C3 ZINC000014824795 HH Annotated Bother CC(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)c1ccccc1 ZINC000014827079 HH Annotated Anodyne CC(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)c1ccccc1 ZINC000014827081 HH Annotated Anodyne COc1cc(C[C@H](C)Oc2c(OC)cc(/C=C\C=O)cc2OC)cc(OC)c1OC ZINC000014829808 HH Annotated Reactive C=CC[C@@]12C[C@H](OC)C(=O)C(OC)=C1O[C@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C ZINC000014856203 HH Annotated Mild C=CC(C)(C)[C@@]12C[C@@H]3C(=O)Nc4ccccc4C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000014857595 HH Annotated Mild CCO[C@@H](c1ccccc1)c1ccc2c(c1)CN(C(=O)C1=C(C)OCCO1)CCO2 ZINC000014882988 HH Annotated Anodyne CCO[C@H](c1ccccc1)c1ccc2c(c1)CN(C(=O)C1=C(C)OCCO1)CCO2 ZINC000014882989 HH Annotated Anodyne CCN(CC)CCNC(=O)c1cc(-c2cc3ccccc3s2)cc(-n2cnnn2)c1 ZINC000014883231 HH Annotated Anodyne C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(O)ccc(OS(=O)(=O)O)c3cc12 ZINC000014885595 HH Annotated Anodyne COc1ccc(OS(=O)(=O)O)c2cc3c(cc12)C(=O)c1occ2c1[C@@]3(C)CCC2 ZINC000014885600 HH Annotated Anodyne COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000014927151 HH Annotated Anodyne in-man endogenous COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000014927153 HH Annotated Anodyne in-man endogenous COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000014927155 HH Annotated Anodyne in-man endogenous COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000014927157 HH Annotated Anodyne in-man endogenous CCOc1ccc(F)c(CCN/C(N)=N/c2ccc(Br)cn2)c1Cl ZINC000014943868 HH Annotated Mild O=C(CCNC(=S)Nc1ccc(Br)cn1)c1cc(F)ccc1F ZINC000014943883 HH Annotated Anodyne O=C(CCNC(=S)Nc1ccc(Br)cn1)c1c(F)cccc1F ZINC000014943886 HH Annotated Anodyne Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1C ZINC000014944744 HH Annotated Bother CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)/N=c1\sc(C(C)(C)C)c(C)n1C ZINC000014944752 HH Annotated Anodyne O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cccc3c2n1CCNC3 ZINC000014945561 HH Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1 ZINC000014945653 HH Annotated Anodyne c1cnc(CCc2ccncc2)c(-c2nnc(NCc3ccc4c(c3)OCO4)o2)c1 ZINC000014946608 HH Annotated Anodyne C[C@H](N)C(=O)Nc1nc(COC2Cc3ccccc3C2)c(Cc2ccccc2)s1 ZINC000014951998 HH Annotated Anodyne COC(=O)c1c(O)cccc1OC[C@@H]1C[C@@H]1c1cccc(-c2cc(C(=O)O)no2)c1 ZINC000014954246 HH Annotated Anodyne COC(=O)c1c(O)cccc1OC[C@H]1C[C@@H]1c1cccc(-c2cc(C(=O)O)no2)c1 ZINC000014954250 HH Annotated Anodyne COC(=O)c1c(O)cccc1OC[C@@H]1C[C@H]1c1cccc(-c2cc(C(=O)O)no2)c1 ZINC000014954253 HH Annotated Anodyne COC(=O)c1c(O)cccc1OC[C@H]1C[C@H]1c1cccc(-c2cc(C(=O)O)no2)c1 ZINC000014954257 HH Annotated Anodyne COC(=O)c1c(O)cccc1OC/C=C/c1ccc2c(c1)-c1onc(C(=O)O)c1CC2 ZINC000014954261 HH Annotated Anodyne COc1cccc(CN(C)C(=O)N2C[C@H](c3ccc(Cl)cc3Cl)[C@@H](N)C2)c1 ZINC000014958674 HH Annotated Anodyne CN(C)C/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964898 HH Annotated Anodyne CN(C)CCCc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964944 HH Annotated Anodyne COc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3cc(C)sc3C)c2C)cc1 ZINC000014967580 HH Annotated Anodyne COc1ccc(-n2ncc([C@H](C)NS(=O)(=O)c3cc(C)sc3C)c2C)cc1 ZINC000014967583 HH Annotated Anodyne CN(C)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1 ZINC000014970350 HH Annotated Bother CN(C)c1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)ccn1 ZINC000014970354 HH Annotated Bother Cc1cc(=O)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c(CC2CCCC2)n1Cc1cccnc1 ZINC000014973965 HH Annotated Anodyne CN1CCN(c2cccc3c2CN(c2csc(-c4ccncc4)n2)C(=O)N3)CC1 ZINC000014974684 HH Annotated Anodyne CN1CCN(c2ccc3c(c2)CN(c2csc(-c4ccncc4)n2)C(=O)N3)CC1 ZINC000014974687 HH Annotated Clean O=C1Nc2cccc(CN3CCOCC3)c2CN1c1csc(-c2ccncc2)n1 ZINC000014974690 HH Annotated Anodyne O=C1Nc2cc(CN3CCOCC3)ccc2CN1c1csc(-c2ccncc2)n1 ZINC000014974693 HH Annotated Anodyne COCC[C@@H]1CCCCN1C(=O)CC[C@@]1(Cc2ccc(SC)cc2)CCC(=O)N1 ZINC000014991580 HH Annotated Anodyne COCC[C@H]1CCCCN1C(=O)CC[C@@]1(Cc2ccc(SC)cc2)CCC(=O)N1 ZINC000014991582 HH Annotated Anodyne COCC[C@@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc(SC)cc2)CCC(=O)N1 ZINC000014991584 HH Annotated Anodyne COCC[C@H]1CCCCN1C(=O)CC[C@]1(Cc2ccc(SC)cc2)CCC(=O)N1 ZINC000014991587 HH Annotated Anodyne C[C@H](c1ccon1)N(C)C(=O)c1ccc(-n2cc(NC(=O)c3ccoc3)cn2)cc1 ZINC000014992845 HH Annotated Anodyne C[C@@H](c1ccon1)N(C)C(=O)c1ccc(-n2cc(NC(=O)c3ccoc3)cn2)cc1 ZINC000014992847 HH Annotated Anodyne CCNC(=O)C1CCN(c2cccc3c2C(=O)N(C2CCCCCCC2)C3=O)CC1 ZINC000014995097 HH Annotated Anodyne O=C(NCCCc1ccncc1)[C@H]1CC12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000014997850 HH Annotated Anodyne O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000014997853 HH Annotated Anodyne O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2-c2nn[nH]n2)nc1 ZINC000145209181 HH Annotated Anodyne CCCC(=O)O[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@H]3C(=O)O[C@H]4O[C@@H](O)[C@]21[C@H]43 ZINC000145314800 HH Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@@H](C)/C=C\C=C\CC1)O[C@](O)([C@H]1CSC(=O)N1)C2 ZINC000145325736 HH Annotated Anodyne CC(=O)C[C@@H]1C[C@@H]1[C@@H]1OC2=C(Br)C[C@@H](C=C=CBr)O[C@H]21 ZINC000145384295 HH Annotated Anodyne CNc1cc(-c2nccc3c(-n4cnc(-c5cnn(C)c5)c4)cccc23)ccc1C(N)=O ZINC000145443228 HH Annotated Anodyne COC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145474649 HH Annotated Anodyne COC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145475093 HH Annotated Anodyne O=C(O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145575848 HH Annotated Anodyne NC(=O)c1ccc(-c2cccnc2O[C@@H]2C[C@@H](Nc3ccc4ccccc4n3)C2)cn1 ZINC000146138052 HH Annotated Anodyne N#CC1CCN(c2nccnc2O[C@@H]2C[C@@H](Nc3ccc4ccccc4n3)C2)CC1 ZINC000146138257 HH Annotated Anodyne COc1cc(-c2cc(OCC3(CC(N)=O)CC3)c3cccnc3c2)cc(OC)c1OC ZINC000146151068 HH Annotated Anodyne O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(SC(F)(F)F)cc1 ZINC000146203580 HH Annotated Anodyne COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC ZINC000146230549 HH Annotated Anodyne NC(=O)c1ccc(-c2cccnc2O[C@@H]2C[C@@H](Nc3nc4ccccc4s3)C2)cn1 ZINC000146307789 HH Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3ccc(CO)cn3)c2)ccc1OC1CCOCC1 ZINC000146495594 HH Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cc(CO)ccn3)c2)ccc1OC1CCOCC1 ZINC000146555178 HH Annotated Anodyne COC[C@@H]1CCCN1NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000146586295 HH Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cc(CN)ccn3)c2)ccc1OC1CCOCC1 ZINC000146588902 HH Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@@]1(O)c1c[nH]c2ccc(Br)cc12 ZINC000146727534 HH Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]1(O)c1c[nH]c2ccc(Br)cc12 ZINC000146727739 HH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCc3ccccc3)cc1[C@]21N=C(N)N(C)O1 ZINC000146797475 HH Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCc3ccccc3)cc1[C@@]21N=C(N)N(C)O1 ZINC000146797668 HH Annotated Anodyne NC(=O)/C=C/c1cnc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12 ZINC000146915633 HH Annotated Anodyne NC(=O)/C=C\c1cnc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12 ZINC000146916037 HH Annotated Anodyne FC1(F)CCN(c2nccnc2O[C@@H]2C[C@@H](Nc3nc4ccccc4s3)C2)C1 ZINC000146918261 HH Annotated Anodyne O=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4cccnn4)ccn23)c1 ZINC000147001577 HH Annotated Anodyne CC(=O)OC[C@@]1(C)[C@H](OC(C)=O)C(=O)C[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 ZINC000147047490 HH Annotated Anodyne COc1ccc(Nc2nc(-c3ccc4c(c3)NCCO4)cn3ccnc23)cc1OC ZINC000147165634 HH Annotated Anodyne O=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4ncccn4)ccn23)c1 ZINC000147226669 HH Annotated Anodyne O=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4nncs4)ccn23)c1 ZINC000147299388 HH Annotated Anodyne CN(C)CC#Cc1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000147317443 HH Annotated Mild CC1(O)CN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C1 ZINC000147319329 HH Annotated Anodyne CSc1nn(-c2ccccc2)c2cc(N3CCC(N4CCNCC4)CC3)ccc12 ZINC000147344152 HH Annotated Anodyne CSc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)C3=O)ccc12 ZINC000147345398 HH Annotated Anodyne CSc1nn(-c2ccccc2)c2cc(N3CCN(C[C@@H]4CCNC4)C3=O)ccc12 ZINC000147345618 HH Annotated Anodyne CSc1nn(-c2ccccc2)c2cc(N3CCN(C[C@H]4CCNC4)C3=O)ccc12 ZINC000147345833 HH Annotated Anodyne O=C(CCCCNC(=O)c1nc(-c2nccs2)sc1C1CCCCC1)NO ZINC000147356216 HH Annotated Bother O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(Cl)cc2F)C1 ZINC000147380852 HH Annotated Anodyne O=S(=O)(c1cccc(-n2cccn2)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000147464753 HH Annotated Anodyne CC(C)(O)c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1 ZINC000147471598 HH Annotated Anodyne O=S(=O)(c1ccc(-n2cccn2)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000147491412 HH Annotated Anodyne O=S(=O)(c1ccc2c(c1)COCC2)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000147492461 HH Annotated Anodyne CC(C)(O)c1ccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)cc1 ZINC000147499682 HH Annotated Anodyne C[C@@H](O)CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 ZINC000147504723 HH Annotated Anodyne C[C@H](O)CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 ZINC000147504976 HH Annotated Anodyne CC(C)(O)c1ccccc1S(=O)(=O)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000147522022 HH Annotated Anodyne CC(=O)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O ZINC000147537930 HH Annotated Anodyne O=S(=O)(c1ccc2c(c1)CCOC2)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000147540244 HH Annotated Anodyne O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CN(C1COC1)CC3 ZINC000147564404 HH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(OC(F)F)c2)cc2c3c(oc12)CCNC3 ZINC000147571577 HH Annotated Anodyne C[C@@H](CO)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 ZINC000147586268 HH Annotated Anodyne C[C@H](CO)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 ZINC000147586476 HH Annotated Anodyne CC(C)(C)c1cc(S(=O)(=O)/C=C/C#N)ccc1OCC(=O)NC1CCCCC1 ZINC000147593893 HH Annotated Reactive Cn1ncc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc21 ZINC000147812637 HH Annotated Anodyne CC(=O)N(C)Cc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1 ZINC000147813958 HH Annotated Anodyne C[C@@H](Oc1cc(-c2ccc3c(c2)COC(=O)N3)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147815087 HH Annotated Anodyne Cc1cn2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2n1 ZINC000147815740 HH Annotated Anodyne Cn1cnc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc21 ZINC000147829519 HH Annotated Anodyne C[C@@H](Oc1cc(-c2cn(C)nc2C(F)(F)F)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147831081 HH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(oc12)CCNC3 ZINC000147926192 HH Annotated Anodyne COc1cc(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc2c3c(oc12)CCNC3 ZINC000147927195 HH Annotated Anodyne O=S(=O)(c1cncc(C(F)(F)F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000147995585 HH Annotated Anodyne COc1cccc(Cn2[nH]c(C(F)(F)F)c(Cc3ccc(OC)c(OC)c3)c2=O)c1 ZINC000148089809 HH Annotated Anodyne C[C@@]1(CO)Cc2nnc(C3(c4ccc(-c5cccnc5)c(F)c4)CC3)n2CCS1 ZINC000148300157 HH Annotated Anodyne C[C@]1(CO)Cc2nnc(C3(c4ccc(-c5cccnc5)c(F)c4)CC3)n2CCS1 ZINC000148300368 HH Annotated Anodyne O=C(NCCc1ccccn1)c1nccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148330918 HH Annotated Anodyne CC(C)[C@]1(C)CC(=O)N(Cc2ccnc(N3CC[C@H](c4ccccc4)C3)c2)C(=N)N1 ZINC000148354430 HH Annotated Anodyne CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(C(=O)N[C@@H](C)c3ccccc3)c2)C(=N)N1 ZINC000148365303 HH Annotated Anodyne in-vitro Cc1cc(NCc2ccncc2N2CCN(c3ccc4ncsc4c3)C2=O)n[nH]1 ZINC000148367953 HH Annotated Anodyne CC(C)[C@]1(C)CC(=O)N(Cc2cccc(N3C[C@H](c4ccccc4)CC3=O)c2)C(=N)N1 ZINC000148377177 HH Annotated Anodyne CC(C)[C@]1(C)CC(=O)N(Cc2cccc(N3C[C@@H](c4ccccc4)CC3=O)c2)C(=N)N1 ZINC000148377428 HH Annotated Anodyne in-vitro CN1CCC(COc2ccncc2N2CCN(c3ccc4ncsc4c3)C2=O)CC1 ZINC000148403147 HH Annotated Anodyne Cc1ncnc(-c2ccc(F)c(C(=O)N3CCCCC3)c2)c1C#Cc1ccc(N)nc1 ZINC000148597416 HH Annotated Mild COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3oc(C)nc3C)n3nccc3n2)nc1 ZINC000148599110 HH Annotated Anodyne O=CC1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000148924173 HH Annotated Reactive O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cccnc4F)c3CCN12 ZINC000149051080 HH Annotated Anodyne Cc1cc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)sn1 ZINC000149067819 HH Annotated Anodyne CC(C)(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4[C@@H]4CCCO4)C3=C2)cn1 ZINC000149094427 HH Annotated Anodyne CC(C)(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4[C@H]4CCCO4)C3=C2)cn1 ZINC000149094886 HH Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4ccnc(F)c4)c3CCN12 ZINC000149113948 HH Annotated Anodyne COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4F)C3=C2)ccn1 ZINC000149130150 HH Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cnccc4F)c3CCN12 ZINC000149137052 HH Annotated Anodyne COc1cc(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)ccn1 ZINC000149137516 HH Annotated Anodyne CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)cc4)C3=C2)cn1 ZINC000149141421 HH Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cncs4)c3CCN12 ZINC000149147111 HH Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCCn3nccc32)cn1 ZINC000149183352 HH Annotated Anodyne CC1=C2c3cccc(-c4cc(C)no4)c3CCN2C(=O)CN=C1n1cnc(C2CC2)c1 ZINC000149239829 HH Annotated Anodyne Cc1ncc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)s1 ZINC000149258866 HH Annotated Anodyne COCC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149640961 HH Annotated Clean COCC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149641181 HH Annotated Clean O=C(O)c1ccncc1Nc1nn(CCN2CCC(F)(F)CC2)c2ccc(F)cc12 ZINC000149681799 HH Annotated Anodyne in-vitro CCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 ZINC000149866397 HH Annotated Anodyne N#CC1(NC(=O)Cc2nnc(Cc3nc4c(-c5ccccc5)cccc4s3)o2)CC1 ZINC000149869747 HH Annotated Mild CCOC(=O)c1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 ZINC000149879207 HH Annotated Anodyne O=C(Nc1ccc([C@@H]2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1 ZINC000149885036 HH Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1 ZINC000149885261 HH Annotated Anodyne O=C(Nc1ccc([C@@H]2CNCCO2)cc1Cl)c1ccn(-c2ccc(F)cc2)n1 ZINC000149893620 HH Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)cc1Cl)c1ccn(-c2ccc(F)cc2)n1 ZINC000149893822 HH Annotated Anodyne N#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2F)c1 ZINC000149903361 HH Annotated Anodyne N#Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2F)c1 ZINC000149903583 HH Annotated Anodyne O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@H]2CNCCO2)cc1Br ZINC000149923363 HH Annotated Anodyne O=C(Nc1ccc(Cl)nc1)Nc1ccc([C@@H]2CNCCO2)cc1Br ZINC000149923571 HH Annotated Anodyne C[C@H](NC(=O)C1CC(F)C1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000149951956 HH Annotated Clean C[C@H](NC(=O)c1ccon1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000149955334 HH Annotated Clean Cc1nocc1C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000149955951 HH Annotated Clean Cc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NC3CC3)n2n1 ZINC000149962261 HH Annotated Anodyne Cc1ccc(C(=O)Oc2cccc3cccnc23)cc1S(=O)(=O)N1CCCCC1 ZINC000001509872 HH Annotated Anodyne O=C1CCOc2c(OCCNCCCCc3ccc4c(c3)OCO4)cc(F)cc21 ZINC000001541478 HH Annotated Anodyne CN(C(=O)CCCCOc1ccc2nc3[nH]c(=O)n(C)c3cc2c1)C1CCCCC1 ZINC000001548560 HH Annotated Anodyne CCCOc1nc(N[C@H](CO)Cc2ccccc2)c2cnn(-c3ccccc3)c2n1 ZINC000001551826 HH Annotated Anodyne CCCOc1nc(N[C@@H](CO)Cc2ccccc2)c2cnn(-c3ccccc3)c2n1 ZINC000001551827 HH Annotated Anodyne CCc1oc(=O)c(Cc2c(O)cc(O)c3c2O[C@H](c2ccccc2)CC3=O)c(O)c1C ZINC000001566824 HH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](SC)C(=O)N(Cc1cccc(OC)c1OC)CC2 ZINC000001614401 HH Annotated Anodyne COc1ccc(C(=O)[C@H](c2ccc(OC)cc2)[C@]2(O)C(=O)Nc3ccccc32)cc1 ZINC000001616292 HH Annotated Anodyne COc1ccc(C(=O)[C@@H](c2ccc(OC)cc2)[C@]2(O)C(=O)Nc3ccccc32)cc1 ZINC000001616293 HH Annotated Anodyne COc1ccc(C(=O)[C@H](c2ccc(OC)cc2)[C@@]2(O)C(=O)Nc3ccccc32)cc1 ZINC000001616294 HH Annotated Anodyne COc1ccc(C(=O)[C@@H](c2ccc(OC)cc2)[C@@]2(O)C(=O)Nc3ccccc32)cc1 ZINC000001616295 HH Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2cc3c(cc2c1OC(C)=O)C(=O)C1(CCCC1)C3=O ZINC000001617088 HH Annotated Clean CO[C@@H]1[C@@H]2c3ccccc3[C@@](C#N)(Cc3ccc4c(c32)OCO4)N1C(=O)c1ccccc1 ZINC000001619780 HH Annotated Mild CO[C@@H]1[C@H]2c3cc4c(cc3C[C@](C#N)(c3ccccc32)N1C(=O)c1ccccc1)OCO4 ZINC000001619781 HH Annotated Mild COc1cc2ccc3c4c(OC)cc(OC)c(OC)c4c(O)[n+](C)c3c2cc1OC ZINC000001629551 HH Annotated Bother COc1cc(C=O)c(-c2cc3c(cc2[C@@]2(C)OCCS2)OCO3)c(OC)c1OC ZINC000001630781 HH Annotated Anodyne O=C(CNc1ccccc1Cl)Nn1c(-c2ccccc2)nc2ccccc2c1=O ZINC000001635933 HH Annotated Anodyne CC(=O)OCc1cc(OC(C)=O)c2cc3c(OC(C)=O)cccc3c(OC(C)=O)c2c1 ZINC000001636651 HH Annotated Bother CCOC(=O)C(Cc1c2ccccc2cc2ccccc12)(NC(C)=O)C(=O)OCC ZINC000001642185 HH Annotated Bother Cc1cc(S(=O)(=O)Nc2nc(Nc3ccccc3)nn2C)c(S)cc1Cl ZINC000001645185 HH Annotated Anodyne Cc1ccc(Nc2nc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n(C)n2)cc1 ZINC000001645186 HH Annotated Anodyne O=C(Cn1c(=O)oc2ccc(C(=O)c3ccc(F)cc3)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000001645302 HH Annotated Bother COC(=O)CCc1cc(OC)c2oc(-c3ccc(OC)c(OC)c3)c(CO)c2c1 ZINC000001645373 HH Annotated Anodyne O=c1c2ncn(COCCCl)c2n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000001648103 HH Annotated Reactive CC(=O)Oc1c(N2CCCCC2)c(C(=O)c2ccccc2)c(O)c2ccn(N(C)C)c12 ZINC000001650087 HH Annotated Anodyne C=C1CN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)c2cc([N+](=O)[O-])ccc21 ZINC000001651286 HH Annotated Mild CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3ccc(N)cc32)n(C)c1 ZINC000001652883 HH Annotated Reactive CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3ccc(N)cc32)n(C)c1 ZINC000001652885 HH Annotated Reactive Cc1c2c(n(CC(c3ccccc3)c3ccccc3)c1C)NN=C(C#N)S2(=O)=O ZINC000001653549 HH Annotated Mild O=C1c2cc(-c3ccccc3)cnc2S(=O)(=O)N1c1ccc(Br)cc1 ZINC000001654025 HH Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@H]1CCC(=O)N1[C@H]2c1cccc2ccccc12 ZINC000001654631 HH Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc12 ZINC000001654632 HH Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@@H]1CCC(=O)N1[C@H]2c1cccc2ccccc12 ZINC000001654633 HH Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc12 ZINC000001654634 HH Annotated Anodyne COc1cc([C@H]2c3c(ccc4ccccc34)C(=O)[C@H]3CCC(=O)N23)cc(OC)c1O ZINC000001654639 HH Annotated Anodyne COc1cc([C@@H]2c3c(ccc4ccccc34)C(=O)[C@H]3CCC(=O)N32)cc(OC)c1O ZINC000001654640 HH Annotated Anodyne COc1cc([C@H]2c3c(ccc4ccccc34)C(=O)[C@@H]3CCC(=O)N32)cc(OC)c1O ZINC000001654641 HH Annotated Anodyne COc1cc([C@@H]2c3c(ccc4ccccc34)C(=O)[C@@H]3CCC(=O)N32)cc(OC)c1O ZINC000001654642 HH Annotated Anodyne COc1cc2c(c(O)c1OC)[C@H](O)[C@@H]1CCC(=O)N1[C@H]2c1cccc2ccccc12 ZINC000001654659 HH Annotated Anodyne Cc1cc2[nH]c3c(C#N)c(-c4ccccc4)c(CN4CCOCC4)c(=O)n3c2cc1C ZINC000001654913 HH Annotated Mild CN(C)CCCn1c(Cn2nc3ccccc3n2)nc2cc(C(F)(F)F)ccc21 ZINC000001656593 HH Annotated Anodyne CCCN(CCCCN1C(=O)c2ccccc2C1=O)C[C@H]1COc2ccccc2O1 ZINC000001657784 HH Annotated Anodyne CCCN(CCCCN1C(=O)c2ccccc2C1=O)C[C@@H]1COc2ccccc2O1 ZINC000001657786 HH Annotated Anodyne CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3c1ccc2c(c1)OCO2 ZINC000001658803 HH Annotated Anodyne CCOC(=O)c1sc2nc(SC)nc(Nc3ccc4c(c3)OCCO4)c2c1N ZINC000001658807 HH Annotated Anodyne COc1ccccc1N1C(=O)CS(=O)(=O)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000001659503 HH Annotated Anodyne COc1cccc(N2C(=O)CS(=O)(=O)[C@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000001659504 HH Annotated Anodyne COc1ccc(N2C(=O)CS(=O)(=O)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000001659505 HH Annotated Anodyne CCOC(=O)Cc1ccc(Nc2nc3cc(F)c(F)cc3nc2C(=O)OCC)cc1 ZINC000001659558 HH Annotated Anodyne Cc1c(N2C(=O)[C@H](Cl)[C@@H]2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001662656 HH Annotated Reactive Cc1c(N2C(=O)[C@@H](Cl)[C@@H]2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001662657 HH Annotated Reactive Cc1c(N2C(=O)[C@H](Cl)[C@H]2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001662658 HH Annotated Reactive Cc1c(N2C(=O)[C@@H](Cl)[C@H]2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000001662659 HH Annotated Reactive COc1ccc(-c2sc(Br)c3c2C(=O)[C@H]2OC(=O)N[C@H]32)cc1OC ZINC000001662873 HH Annotated Anodyne COc1ccc(-c2sc(Br)c3c2C(=O)[C@@H]2OC(=O)N[C@H]32)cc1OC ZINC000001662874 HH Annotated Anodyne COc1ccc(-c2sc(Br)c3c2C(=O)[C@H]2OC(=O)N[C@@H]32)cc1OC ZINC000001662875 HH Annotated Anodyne COc1ccc(-c2sc(Br)c3c2C(=O)[C@@H]2OC(=O)N[C@@H]32)cc1OC ZINC000001662876 HH Annotated Anodyne COc1cc2cc(C(=O)Nc3cc4n(n3)-c3ccccc3C4)[nH]c2c(OC)c1OC ZINC000001663071 HH Annotated Anodyne O=C(c1ccccc1)c1c(-c2ccccc2)nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1O ZINC000001663156 HH Annotated Anodyne O=C(c1ccccc1)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000001663511 HH Annotated Anodyne COc1cc2cc(-c3cc(OC)c(OC)c(OC)c3)c3c(c2cc1OC)CNC3=O ZINC000001731090 HH Annotated Anodyne in-vivo C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)cc3)c(C)c2c1 ZINC000001752921 HH Annotated Anodyne COC(=O)c1c(C)cc(OC(=O)c2c(C)c(Cl)c(O)c(Cl)c2O)cc1O ZINC000001766422 HH Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 ZINC000001783493 HH Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 ZINC000001783503 HH Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 ZINC000001783509 HH Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 ZINC000001836886 HH Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 ZINC000001836888 HH Annotated Anodyne COc1cccc(C(=O)Oc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)c1C#N ZINC000001856408 HH Annotated Mild COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc(N)cc43)[nH]c2c(OC)c1OC ZINC000001857879 HH Annotated Reactive COC(=O)Cc1c2n(c3ccccc13)C(=O)N1c3ccccc3[C@H](CC(=O)OC)[C@@H]21 ZINC000001858475 HH Annotated Anodyne COC(=O)Cc1c2n(c3ccccc13)C(=O)N1c3ccccc3[C@@H](CC(=O)OC)[C@@H]21 ZINC000001858477 HH Annotated Anodyne COC(=O)Cc1c2n(c3ccccc13)C(=O)N1c3ccccc3[C@H](CC(=O)OC)[C@H]21 ZINC000001858478 HH Annotated Anodyne COC(=O)Cc1c2n(c3ccccc13)C(=O)N1c3ccccc3[C@@H](CC(=O)OC)[C@H]21 ZINC000001858479 HH Annotated Anodyne COc1ccc2oc(S(=O)(=O)N3C[C@H](CCl)c4ccc([N+](=O)[O-])cc43)cc2c1 ZINC000001859583 HH Annotated Reactive OC[C@H](CCc1ccccc1I)C1=CCC2(CC1)OCCO2 ZINC000001861338 HH Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4ccc(N)cc43)cc2c1 ZINC000001862233 HH Annotated Reactive COc1ccc(OC)c(N2C(=O)CS[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000001862926 HH Annotated Anodyne CCS[C@]12C[C@H]3c4cccc5c4[C@@H](CN5C(=O)c4ccccc4)C[C@@]3(O1)N(C)C2=O ZINC000001863601 HH Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@@H](c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000001863808 HH Annotated Bother S=C(NNc1nc2ccccc2n2cccc12)Nc1ccc(Br)cn1 ZINC000001864289 HH Annotated Anodyne COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)C(=O)[C@H]1CCC(=O)N1C3 ZINC000001865095 HH Annotated Bother O=C1c2ccccc2OC=C(Cl)N1CCCCN1CC=C(c2ncccn2)CC1 ZINC000001892472 HH Annotated Anodyne O=C(O)C[C@@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O ZINC000001903710 HH Annotated Anodyne in-vivo CCCCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000001906378 HH Annotated Anodyne O=C(O)C[C@H]1CC(CNC(=O)CCCCNc2ccccn2)=CCc2ccccc21 ZINC000001909796 HH Annotated Anodyne COc1cc(/C=N/c2cc(Br)c3c(c2)OCCO3)cc(OC)c1OC ZINC000001922913 HH Annotated Mild O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C[C@@H]2CCOC2)CC1 ZINC000015065729 HH Annotated Anodyne O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C[C@H]2CCOC2)CC1 ZINC000015065730 HH Annotated Anodyne O=C1CC[C@@](CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)(Cc2cccs2)N1 ZINC000015068286 HH Annotated Anodyne O=C1CC[C@](CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)(Cc2cccs2)N1 ZINC000015068289 HH Annotated Anodyne O=C1CC[C@@](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)(Cc2cccs2)N1 ZINC000015068291 HH Annotated Anodyne O=C1CC[C@](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)(Cc2cccs2)N1 ZINC000015068294 HH Annotated Anodyne C=CCC1(CC=C)CCCN1C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000015069914 HH Annotated Mild COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1F ZINC000015077585 HH Annotated Anodyne COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1F ZINC000015077588 HH Annotated Anodyne CC(C)=C[C@H]1OC(=O)/C(=C/CC/C(C)=C/CC/C(C)=C\COC(=O)C[C@H](C)O)[C@@H]1O ZINC000015113944 HH Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(O)c1 ZINC000015115442 HH Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(O)c1 ZINC000015115444 HH Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(O)c1 ZINC000015115446 HH Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@@]23O)c(O)c1 ZINC000015115448 HH Annotated Reactive in-man endogenous CO[C@]12C(C=O)=C[C@H]3CC(C)(C)C[C@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000015115466 HH Annotated Reactive in-man endogenous CO[C@@]12C(C=O)=C[C@H]3CC(C)(C)C[C@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000015115468 HH Annotated Reactive in-man endogenous CO[C@]12C(C=O)=C[C@H]3CC(C)(C)C[C@H]3[C@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000015115470 HH Annotated Reactive in-man endogenous CO[C@@]12C(C=O)=C[C@H]3CC(C)(C)C[C@H]3[C@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000015115471 HH Annotated Reactive in-man endogenous COc1ccc(C(=O)O[C@H](c2ccc(OC)c(OC)c2)[C@@H](C)C(C)=O)cc1OC ZINC000015119356 HH Annotated Anodyne COc1ccc(C(=O)O[C@@H](c2ccc(OC)c(OC)c2)[C@@H](C)C(C)=O)cc1OC ZINC000015119357 HH Annotated Anodyne CC1=C[C@H]2C[C@H](C)[C@@H](O)[C@H](C)[C@H]2[C@H](/C=C(C)/C=C(C)/C=C/C(=O)O)/C1=C\C(=O)CO ZINC000015120719 HH Annotated Mild C=CC(C)(C)c1cc([C@H]2COc3cc(O)cc(O)c3C2=O)c(OC)c(O)c1OC ZINC000015120975 HH Annotated Mild CCCc1cc(OC)cc(O)c1C(=O)Oc1cc(CCC)c(C(=O)OC)c(O)c1O ZINC000015122272 HH Annotated Clean COC/C=C/c1cc(O)c2c(c1)[C@H](COC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000015153017 HH Annotated Anodyne CCc1cc([C@@H]2OC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)cc(OC)c1O ZINC000015205438 HH Annotated Anodyne COc1cccc2c1C(=O)c1c(c(O)c3cc([C@H](C)OC(C)=O)ccc3c1O)C2=O ZINC000015205740 HH Annotated Clean COc1ccc(-c2c([C@@H]3OC(=O)[C@H](C)[C@@H]3C)cc3c(c2OC)OCO3)cc1OC ZINC000015210967 HH Annotated Anodyne COc1cc([C@H]2Oc3cc(/C=C\CO)cc(OC)c3O[C@@H]2C)cc(OC)c1OC ZINC000015211494 HH Annotated Anodyne COc1cc2c(C=O)c3c4c(c(OC)c(OC)c(OC)c4c2cc1OC)CCN3C ZINC000015217418 HH Annotated Bother in-man C=CC(C)(C)c1c(O)c(C[C@@H](O)C(=C)C)c(O)c2c(=O)c3ccc(O)c(O)c3oc12 ZINC000015256051 HH Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@H](C)[C@@H]2O ZINC000015262536 HH Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@H](C)[C@H]2O ZINC000015262538 HH Annotated Anodyne in-vitro biogenic COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)C2=O ZINC000015262577 HH Annotated Anodyne COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@@H]2O ZINC000015262587 HH Annotated Anodyne COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@H]2O ZINC000015262589 HH Annotated Anodyne O=C1N[C@H](c2c[nH]c3cc(Br)ccc23)CN[C@H]1c1c[nH]c2ccccc12 ZINC000015266896 HH Annotated Anodyne O=C1N[C@@H](c2c[nH]c3cc(Br)ccc23)CN[C@@H]1c1c[nH]c2ccccc12 ZINC000015266902 HH Annotated Anodyne O=C1N[C@H](c2c[nH]c3ccccc23)CN[C@H]1c1c[nH]c2cc(Br)ccc12 ZINC000015266905 HH Annotated Anodyne O=C1N[C@@H](c2c[nH]c3ccccc23)CN[C@@H]1c1c[nH]c2cc(Br)ccc12 ZINC000015266912 HH Annotated Anodyne O=C1NC[C@@H](c2c[nH]c3cc(Br)ccc23)N[C@H]1c1c[nH]c2ccccc12 ZINC000015266939 HH Annotated Anodyne O=C1NC[C@@H](c2c[nH]c3ccccc23)N[C@H]1c1c[nH]c2cc(Br)ccc12 ZINC000015266952 HH Annotated Anodyne COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000015270668 HH Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@H](C)[C@H](C)[C@H]2O ZINC000015270846 HH Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C(=O)[C@@H](C)[C@@H](C)C2 ZINC000015270939 HH Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H]1CO[C@H]2[C@@H]1C ZINC000015274115 HH Annotated Anodyne in-vitro biogenic COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@H]1CO[C@@H]2[C@@H]1C ZINC000015274116 HH Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H]1OC[C@@H](C2)[C@H]1C ZINC000015274117 HH Annotated Anodyne in-vitro biogenic COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H]1OC[C@H](C2)[C@H]1C ZINC000015274118 HH Annotated Anodyne in-vitro biogenic COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H]1CO[C@H]2[C@H]1C ZINC000015274125 HH Annotated Anodyne COC(=O)CSc1nc(O)c2c(C(F)(F)F)cc(-c3cccs3)nc2n1 ZINC000015481590 HH Annotated Anodyne CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(C)(=O)=O)cc4F)c3)cnnc21 ZINC000150014887 HH Annotated Anodyne CCc1nn(-c2ccccc2)c2nc(C3CCN(c4ccncc4)CC3)nc(O)c12 ZINC000150041714 HH Annotated Anodyne NC1CCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)CC1 ZINC000150042419 HH Annotated Anodyne O=c1[nH]c2ccc(-c3csc(-c4ccc(F)cc4CN4CCOCC4)n3)cc2o1 ZINC000150103247 HH Annotated Anodyne C[C@H](NC(=O)c1cnco1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000150204290 HH Annotated Clean C/C1=C/CC2=C(C(C)C)CC(=O)O[C@]2(C)CC/C(C)=C2/OC(=O)[C@@H]3[C@H]2[C@@H]1O[C@]3(C)O ZINC000154416995 HH Annotated Anodyne Oc1c2c(nc3nc(NCc4ccc(OCc5ccccc5)cc4)nn13)CCCC2 ZINC000015668944 HH Annotated Anodyne COc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c(OC)c1 ZINC000015779138 HH Annotated Anodyne COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000015786067 HH Annotated Anodyne Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000015879206 HH Annotated Anodyne Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000015879208 HH Annotated Anodyne Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(SC(F)F)cc2)no1 ZINC000015925028 HH Annotated Anodyne Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(SC(F)F)cc2)no1 ZINC000015925030 HH Annotated Anodyne CC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3nc4c(C)cccc4[nH]3)no2)cc1 ZINC000015934003 HH Annotated Anodyne Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000015935114 HH Annotated Bother Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000015935115 HH Annotated Bother CC1(C)CCC(=O)N2CC[C@H]3C[C@H](OC(=O)Nc4ccc5c(c4)OCO5)C[C@@H]1[C@H]32 ZINC000015935327 HH Annotated Anodyne CCc1occc(=O)c1Oc1cc(NN2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000015936233 HH Annotated Bother CCCCN1C[C@H](Cc2ccccc2)[C@@H](CC(=O)NCc2ccc(OC)cc2)C1=O ZINC000015937250 HH Annotated Anodyne O=S1(=O)CCOC[C@H](CC2CCCCC2)N1Cc1ccccc1Br ZINC000015937362 HH Annotated Anodyne CCCCNc1ccc([C@@H](CC(N)=O)NC(=O)c2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000015937521 HH Annotated Bother CCCCNc1ccc([C@H](CC(N)=O)NC(=O)c2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000015937523 HH Annotated Bother COC[C@@H](C)n1c(S[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc2c1=O ZINC000015940723 HH Annotated Anodyne COC[C@H](C)n1c(S[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc2c1=O ZINC000015940725 HH Annotated Anodyne COC[C@@H](C)n1c(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccccc2c1=O ZINC000015940727 HH Annotated Anodyne CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000015952291 HH Annotated Bother CCCNC(=O)c1ccc2c(=O)c(O)c(-c3cccc(Br)c3)[nH]c2c1 ZINC000015952299 HH Annotated Anodyne COC(=O)CCCCCN1C(=O)N[C@@H](C2CC2)C(C(=O)OCc2ccccc2)=C1C ZINC000015952503 HH Annotated Anodyne COC(=O)CCCCCN1C(=O)N[C@H](C2CC2)C(C(=O)OCc2ccccc2)=C1C ZINC000015952504 HH Annotated Anodyne COc1cc(CCCN2C(S)=NC[C@H]2Cc2ccc(O)cc2)cc(OC)c1OC ZINC000015952973 HH Annotated Anodyne COC1=C/C(=C\c2c(-c3ccc(OC)cc3)[nH]n(-c3ccccc3)c2=O)C=CC1=O ZINC000015962051 HH Annotated Mild COc1ccc(/C=C/C(O)=C2/C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)c(OC)c1OC ZINC000015962200 HH Annotated Anodyne COc1ccc(/C=C/C(O)=C2/C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)c(OC)c1OC ZINC000015962202 HH Annotated Anodyne CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NN1C(=O)c2cccc3cccc(c23)C1=O ZINC000015962284 HH Annotated Clean O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cncc(Br)c1 ZINC000015979587 HH Annotated Reactive COc1ccc(Nc2nc(NN=Cc3ccc(N(C)C)cc3)nc(C)c2[N+](=O)[O-])cc1 ZINC000015985656 HH Annotated Anodyne aggregator C/C(=N/NC(=O)COc1ccc(C)cc1Br)c1cc([N+](=O)[O-])cs1 ZINC000015989504 HH Annotated Reactive COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3[N+](C)([O-])CC2 ZINC000155358971 HH Annotated Bother CC(C)COc1ccc(CO[C@@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000016040383 HH Annotated Anodyne CC(C)COc1ccc(CO[C@H]2[C@H]([C@@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)cc1 ZINC000016040385 HH Annotated Anodyne O=C(O)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O ZINC000016052180 HH Annotated Anodyne in-vivo CN1CCN(c2ccc(Cc3cc4cnc(CN)nc4n3C3CCCCC3)cc2)CC1 ZINC000016052509 HH Annotated Anodyne in-vivo Cc1cc(Cl)ccc1N(CC(=O)/N=N\c1c(O)[nH]c2ccccc12)S(C)(=O)=O ZINC000016282380 HH Annotated Clean Cc1ccc(N(CC(=O)/N=N\c2c(O)[nH]c3ccccc23)S(C)(=O)=O)c(C)c1 ZINC000016284790 HH Annotated Clean Cc1cccc(N(CC(=O)/N=N\c2c(O)[nH]c3ccccc23)S(C)(=O)=O)c1C ZINC000016349954 HH Annotated Clean COc1cc([C@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@@H]2C)OCO4)cc(OC)c1O ZINC000016958702 HH Annotated Anodyne CCN(CC)[C@@H]1Oc2cc3c(cc2[C@H](c2cc(OC)c(O)c(OC)c2)[C@H]1C)OCO3 ZINC000016958704 HH Annotated Anodyne CSc1nn(-c2ccccc2)c2cc(N3CCN(C[C@@H]4CCCNC4)C3=O)ccc12 ZINC000165064072 HH Annotated Anodyne CSc1nn(-c2ccccc2)c2cc(N3CCN(C[C@H]4CCCNC4)C3=O)ccc12 ZINC000165064201 HH Annotated Anodyne CCc1nn(-c2ccccc2)c2nc(C3CCN(c4cccnc4)CC3)nc(O)c12 ZINC000165297785 HH Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1C/C=C1\CC(=O)NC1=O ZINC000166794132 HH Annotated Reactive COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(OC)c1C2=O)[C@H]1CCC[C@@](C)(O3)O1 ZINC000166843772 HH Annotated Clean CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(-c3ccc(C)cc3)cc12)C1=CCCC=C1 ZINC000166975795 HH Annotated Anodyne CNC[C@H](Nc1ncnc2c(C(N)=O)cc(-c3ccc(C)cc3)cc12)C1=CCCC=C1 ZINC000166975920 HH Annotated Anodyne O=C(c1ccccc1Br)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000166996406 HH Annotated Anodyne O=C(c1ccccc1Br)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000166996520 HH Annotated Anodyne O=C(c1ccccc1Br)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 ZINC000166996632 HH Annotated Anodyne CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cc(OC3CCC3)cc12)c1cccc(F)c1 ZINC000167013367 HH Annotated Anodyne CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cc(OC3CCC3)cc12)c1cccc(F)c1 ZINC000167013477 HH Annotated Anodyne CCc1cc2c(=O)[nH]c(=O)n(Cc3ccc(-c4ccccc4C#N)cc3OC)c2s1 ZINC000167113300 HH Annotated Mild NC[C@@]1(c2cccc(Cl)c2)CC[C@H](N2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC000168912405 HH Annotated Anodyne CCc1nn(Cc2ccc([S@@](=O)Cc3ccccc3)cc2)c(CC)c1CC(=O)O ZINC000168959835 HH Annotated Anodyne CCc1nn(Cc2ccc([S@](=O)Cc3ccccc3)cc2)c(CC)c1CC(=O)O ZINC000168959927 HH Annotated Anodyne COCCOCc1ccc2ccccc2c1/C=C(C)/C=C\C(O)=C1/C(=O)CN(C)C1=O ZINC000169290024 HH Annotated Mild CC1=C[C@@H]2/C=C(/C)CCC[C@H](O)/C=C\C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000169290232 HH Annotated Anodyne CC1=C[C@@H]2/C=C(\C)CCC[C@H](O)/C=C\C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000169290233 HH Annotated Anodyne CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@@](C)(O)[C@@](C)(CC)[C@@H](O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000169290783 HH Annotated Anodyne CC[C@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@@](C)(O)[C@@](C)(CC)[C@@H](O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000169290784 HH Annotated Anodyne CC[C@@H]1O[C@H]2C(CC=C(C)C)=C3O[C@@](C)(O)[C@@](C)(CC)[C@@H](O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000169290785 HH Annotated Anodyne CC[C@H]1O[C@H]2C(CC=C(C)C)=C3O[C@@](C)(O)[C@@](C)(CC)[C@@H](O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000169290786 HH Annotated Anodyne C[C@@H]1CCC/C=C\C=C/[C@H](O)C[C@@H](O)C/C=C\C=C/[C@@H](O)C/C=C\C=C/C(=O)O1 ZINC000169291127 HH Annotated Anodyne C[C@@H]1CCC/C=C/C=C\[C@H](O)C[C@@H](O)C/C=C\C=C/[C@@H](O)C/C=C\C=C/C(=O)O1 ZINC000169291128 HH Annotated Anodyne C[C@@H]1CCC/C=C\C=C\[C@H](O)C[C@@H](O)C/C=C\C=C/[C@@H](O)C/C=C\C=C/C(=O)O1 ZINC000169291129 HH Annotated Anodyne C[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C/[C@@H](O)C/C=C\C=C/C(=O)O1 ZINC000169291130 HH Annotated Anodyne CC(C)=CCC[C@@]1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@H](O)[C@@H]1O ZINC000169292283 HH Annotated Bother CC(C)=CCC[C@]1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@H](O)[C@@H]1O ZINC000169292284 HH Annotated Bother CC(C)=CCC[C@@]1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@H](O)[C@@H]1O ZINC000169292364 HH Annotated Bother CC(C)=CCC[C@]1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@H](O)[C@@H]1O ZINC000169292365 HH Annotated Bother CC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000169292907 HH Annotated Anodyne CC[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000169292908 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)Oc3ccccc3)O[C@H]3CCCC[C@H]32)cc1 ZINC000169292924 HH Annotated Anodyne C=CC[N+](C)(C)CCN1C(=O)[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O ZINC000169293171 HH Annotated Mild Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccs3)O[C@H]3CCCC[C@H]32)cc1 ZINC000169293274 HH Annotated Anodyne Cn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1cn(-c3ccccc3)cc1-2 ZINC000169294597 HH Annotated Anodyne O=C(NC[C@H]1CCCO1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000169295610 HH Annotated Anodyne COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(C)o1 ZINC000169295624 HH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(C)o1 ZINC000169295625 HH Annotated Mild O=C(Nc1ccnc(N2C[C@@H]3C[C@@H]2CN3Cc2cccc(O)c2)c1)c1ccc(F)cc1 ZINC000169295673 HH Annotated Anodyne NC(=S)NN=C1[C@@H]2CCC[C@@H]1[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 ZINC000169299198 HH Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@@H]1[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 ZINC000169299199 HH Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@H]1[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 ZINC000169299200 HH Annotated Mild NC(=S)NN=C1[C@@H]2CCC[C@@H]1[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000169299430 HH Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@@H]1[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000169299431 HH Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@H]1[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000169299432 HH Annotated Mild COc1cccc([C@@H]2N[C@@H](c3cccc(OC)c3)[C@@H]3CCC[C@@H]2C3=NNC(N)=S)c1 ZINC000169299792 HH Annotated Mild COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@@H]3CCC[C@@H]2C3=NNC(N)=S)c1 ZINC000169299793 HH Annotated Mild COc1cccc([C@H]2N[C@H](c3cccc(OC)c3)[C@@H]3CCC[C@@H]2C3=NNC(N)=S)c1 ZINC000169299794 HH Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 ZINC000169300078 HH Annotated Anodyne CC(C)[C@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 ZINC000169300080 HH Annotated Anodyne CC(C)[C@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 ZINC000169300081 HH Annotated Anodyne CC1=C[C@]2(C)/C=C(C)/C=C/C[C@@H](O)/C=C3/C=C/C(=C4/C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3 ZINC000169300178 HH Annotated Mild CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2 ZINC000169300327 HH Annotated Clean CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 ZINC000169300328 HH Annotated Clean CCCCC#C[C@@H]1C=C[C@@H](Oc2ccc(C(=O)OC)cc2)[C@@H](COC(=O)OCC)O1 ZINC000169300846 HH Annotated Mild CCCCC#C[C@H]1C=C[C@@H](Oc2ccc(C(=O)OC)cc2)[C@@H](COC(=O)OCC)O1 ZINC000169300847 HH Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O ZINC000169302483 HH Annotated Reactive C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000169304316 HH Annotated Mild COC(=O)c1cc(Br)cnc1N1CCC(CNC2CCCCC2)CC1 ZINC000169304474 HH Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(N(C)C2CCCCC2)CC1 ZINC000169304725 HH Annotated Anodyne CN(C)CCCN1CCCN(C(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)C1 ZINC000169305187 HH Annotated Anodyne Fc1cnc(-c2ccccc2C(F)F)nc1NC[C@@H]1CCN(c2cnccn2)C1 ZINC000169305323 HH Annotated Anodyne Fc1cnc(-c2ccccc2C(F)F)nc1NC[C@H]1CCN(c2cnccn2)C1 ZINC000169305325 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1noc(-c2c3ccccc3nn2Cc2ccccn2)n1 ZINC000169307323 HH Annotated Anodyne C=CC/N=C1\SCCCCN1N1C(=O)[C@H]2[C@@H]3C[C@@H](C(C)C)[C@H](C=C3C)[C@@H]2C1=O ZINC000169307742 HH Annotated Mild C=CC/N=C1\SCCCCN1N1C(=O)[C@H]2[C@@H]3C[C@@H](C(C)C)[C@H](C=C3C)[C@H]2C1=O ZINC000169307744 HH Annotated Mild C=CC/N=C1\SCCCCN1N1C(=O)[C@H]2[C@H]3C=C(C)[C@@H](C[C@H]3C(C)C)[C@H]2C1=O ZINC000169307746 HH Annotated Mild C=CC/N=C1\SCCCCN1N1C(=O)[C@@H]2[C@@H]3C[C@@H](C(C)C)[C@H](C=C3C)[C@H]2C1=O ZINC000169307748 HH Annotated Mild CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(OC)c(OC)c4)ccc1c23 ZINC000169308104 HH Annotated Anodyne Cc1ccc(CNN2C(=O)[C@H](C)[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)OO[C@]43[C@H]2O5)cc1 ZINC000169308384 HH Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NCc3ccc(F)cc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308386 HH Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(OCc3ccccc3F)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308390 HH Annotated Reactive CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C\[C@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@@H]12)C3(C)C ZINC000169308533 HH Annotated Mild C=CC/N=C1\SCCCCN1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(C(C)C)CC1 ZINC000169308620 HH Annotated Mild C=CC/N=C1\SCCCCN1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C(C)C)C=C[C@@]2(C)CC1 ZINC000169308622 HH Annotated Mild C=CC/N=C1\SCCCCN1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(C(C)C)CC1 ZINC000169308623 HH Annotated Mild CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2)c1F ZINC000169308829 HH Annotated Anodyne CC[C@H]1[C@H](C[C@H](C)C(=O)OC)O[C@]23CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N2CCCC[C@H]13 ZINC000169308872 HH Annotated Anodyne CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc21 ZINC000169309882 HH Annotated Anodyne CN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc21 ZINC000169309883 HH Annotated Anodyne Cc1cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)c2)on1 ZINC000169311676 HH Annotated Anodyne Cc1cc2ncc(N3C[C@H](CN)[C@@H](c4ccc(Cl)cc4Cl)CC3=O)c(C)n2n1 ZINC000169312430 HH Annotated Anodyne NC(=S)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cncc(Cl)c2)c1O ZINC000169312527 HH Annotated Clean Cn1cc(-c2cnc(N3CCC(C#N)CC3)c3nc(CCc4ccccc4)[nH]c23)cn1 ZINC000169313008 HH Annotated Mild Cc1ccc([C@@H]2C/C(=N\N3C(=O)CNC3=S)[C@@H](C)[C@@H](c3ccc(C)cc3)N2)cc1 ZINC000169313142 HH Annotated Mild Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)C/C(=N\N3C(=O)CNC3=S)[C@H]2C)cc1 ZINC000169313143 HH Annotated Mild Cc1ccc([C@@H]2C/C(=N\N3C(=O)CNC3=S)[C@H](C)[C@@H](c3ccc(C)cc3)N2)cc1 ZINC000169313145 HH Annotated Mild Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)C/C(=N\N3C(=O)CNC3=S)[C@@H]2C)cc1 ZINC000169313148 HH Annotated Mild COC1=C(OC)[C@]23C(=CC1=O)C[C@@H](C)[C@@]2(C)Cc1cc(OC)c(OC)c(OC)c13 ZINC000169313197 HH Annotated Mild COC1=C(OC)[C@]23C(=CC1=O)C[C@H](C)[C@@]2(C)Cc1cc(OC)c(OC)c(OC)c13 ZINC000169313199 HH Annotated Mild O=C1N[C@H](C(=O)O)Cc2cn(c3ccccc23)C/C=C\COc2ccc(Cl)c1c2 ZINC000169313417 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(O[C@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000169313814 HH Annotated Anodyne C/C(=N/NC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccn1 ZINC000169314818 HH Annotated Mild C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2cccc(N)c2)CC(=O)O1 ZINC000169316876 HH Annotated Anodyne Cc1nnc(/C=N/N(C)C)n1-c1ccc(Cl)cc1[C@@H](N)c1ccccc1Cl ZINC000169319837 HH Annotated Mild Cc1nnc(/C=N/N(C)C)n1-c1ccc(Cl)cc1[C@H](N)c1ccccc1Cl ZINC000169319838 HH Annotated Mild CC(=O)C1=C(O)/C(=C(\C)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC1=O ZINC000169320172 HH Annotated Reactive COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000169321807 HH Annotated Bother COc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000169321810 HH Annotated Bother O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(F)cc1 ZINC000169321843 HH Annotated Bother O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@@H]2c1ccc(F)cc1 ZINC000169321847 HH Annotated Bother CC(C)(C)SC[C@@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000169321956 HH Annotated Bother CC(C)(C)SC[C@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000169321959 HH Annotated Bother CCCCCc1ccc(Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322226 HH Annotated Anodyne CCCCCc1ccc(Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322229 HH Annotated Anodyne CCCCCc1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322265 HH Annotated Anodyne CCCCCc1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322266 HH Annotated Anodyne COc1ccc(NC(=O)C(=O)c2cc(Cc3ccc(C#N)cc3)n3ccccc23)cn1 ZINC000169323286 HH Annotated Mild NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cccc(Cl)c2)c1=O ZINC000169324924 HH Annotated Clean CC[C@@H](C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000169325573 HH Annotated Anodyne CC[C@H](C)NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000169325574 HH Annotated Anodyne COc1cc(/C=C/C(=O)NC2=C(C(=O)O)CCCC2)cc(Br)c1OC ZINC000169325597 HH Annotated Anodyne Cc1ccc(-n2[nH]c(C)c(/C=N/N3C(=O)c4cccc5cccc(c45)C3=O)c2=O)cc1 ZINC000169325768 HH Annotated Mild NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2ccc(Cl)cc2)c1=O ZINC000169325930 HH Annotated Clean COC(=O)c1coc(-c2coc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)n2)n1 ZINC000169326218 HH Annotated Anodyne CCCCNc1c(-c2ccc(OCC(N)=O)cc2)nc2ccc(Br)cn12 ZINC000169326559 HH Annotated Anodyne Nc1cc(Br)cn2cc(Cc3ccc(F)cc3C(F)(F)F)c(=O)nc12 ZINC000169326953 HH Annotated Anodyne Cc1ccc(C2=NN[C@@H]3C=C[C@@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@@H]4N23)cc1 ZINC000169327198 HH Annotated Anodyne Cc1ccc(C2=NN[C@H]3C=C[C@@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@@H]4N23)cc1 ZINC000169327201 HH Annotated Anodyne O=C(Cn1cc(Cc2c(Br)[nH]c3ccccc23)nn1)Nc1ccccc1 ZINC000169328205 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000169329594 HH Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000169329597 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000169329599 HH Annotated Anodyne Cc1[nH]n(C(C)(C)C)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169330548 HH Annotated Clean O=[N+]([O-])c1cc(CSc2nnnn2C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1 ZINC000169331305 HH Annotated Bother CC/C(=C\c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCC=C(Br)C1=O ZINC000169332084 HH Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3C[C@@H](N3CC3)[C@@H]2C(C)=O)C1 ZINC000169332103 HH Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@@]4(C)[C@@H](C[C@@H](N5CC5)[C@@H]4C(C)=O)[C@@H]3CC[C@@H]2C1 ZINC000169332106 HH Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@@]2(C)[C@H]3C[C@@H](N3CC3)[C@@H]2C(C)=O)C1 ZINC000169332127 HH Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@@]4(C)[C@@H](C[C@@H](N5CC5)[C@@H]4C(C)=O)[C@@H]3CC[C@@H]2C1 ZINC000169332129 HH Annotated Anodyne Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccco3)C(=O)c3ccccc3C2=O)c1 ZINC000169333545 HH Annotated Mild COc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 ZINC000169338800 HH Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 ZINC000169338801 HH Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 ZINC000169338804 HH Annotated Anodyne COc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 ZINC000169338809 HH Annotated Anodyne CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cn1C ZINC000169339257 HH Annotated Mild CC[C@H]1C(=O)OC[C@@H]1Cc1c[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cn1C ZINC000169339258 HH Annotated Mild CC[C@@H]1C(=O)OC[C@H]1Cc1c[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cn1C ZINC000169339259 HH Annotated Mild CC[C@H]1C(=O)OC[C@H]1Cc1c[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cn1C ZINC000169339261 HH Annotated Mild CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](C/C(=N\O)c2ccc(-c3ccccc3)cc2)cn1C ZINC000169339275 HH Annotated Mild CC[C@H]1C(=O)OC[C@@H]1Cc1c[n+](C/C(=N\O)c2ccc(-c3ccccc3)cc2)cn1C ZINC000169339277 HH Annotated Mild CC[C@@H]1C(=O)OC[C@H]1Cc1c[n+](C/C(=N\O)c2ccc(-c3ccccc3)cc2)cn1C ZINC000169339279 HH Annotated Mild CC[C@H]1C(=O)OC[C@H]1Cc1c[n+](C/C(=N\O)c2ccc(-c3ccccc3)cc2)cn1C ZINC000169339281 HH Annotated Mild C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])cc21 ZINC000169339476 HH Annotated Clean CCCC[C@H]1C(=O)O[C@H]2O[C@]3(CCC(=O)OCC)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000169340313 HH Annotated Reactive COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCCC2)CC1 ZINC000169340869 HH Annotated Anodyne COC(=O)c1cccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCO5)c1 ZINC000169340910 HH Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(NC2CCC(C)CC2)CC1 ZINC000169340950 HH Annotated Anodyne CS(=O)(=O)c1cc(C(=O)O)cc(NCc2ccccc2)c1C(=O)c1ccccc1 ZINC000169341363 HH Annotated Clean CC(C)(C)C(=O)On1cc(-c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)nc1N ZINC000169341724 HH Annotated Mild COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@@H](C)C1 ZINC000169342073 HH Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CC[C@H](NC2CCCCC2)[C@@H](C)C1 ZINC000169342075 HH Annotated Anodyne CCOCCO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169342958 HH Annotated Mild CCOCCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000169342959 HH Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@@H]4OCC[C@@H]24)[C@]13C(=O)O ZINC000169343335 HH Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H]4OCC[C@@H]24)[C@]13C(=O)O ZINC000169343336 HH Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@H]4OCC[C@@H]24)[C@]13C(=O)O ZINC000169343338 HH Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H]4OCC[C@@H]24)[C@]13C(=O)O ZINC000169343340 HH Annotated Mild CCOC(=O)c1csc([C@@H](NC(=O)/C=C/c2ccc(OC)c(OC)c2)C(C)C)n1 ZINC000169343791 HH Annotated Anodyne C/C=C/c1ccc2oc(-c3ccc(O[C@H]4O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)cc3)c(C)c2c1 ZINC000169346018 HH Annotated Anodyne C=CCc1c(-c2ccccc2)n(C2=NNC(=S)N[C@@H]2N)c2ccc(SC)cc12 ZINC000169346631 HH Annotated Mild C=CCc1c(-c2ccccc2)n(C2=NNC(=S)N[C@H]2N)c2ccc(SC)cc12 ZINC000169346632 HH Annotated Mild COc1cc(NS(C)(=O)=O)ccc1Cc1c2c(nc3ccccc13)CC(=N)C=C2 ZINC000169347094 HH Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Cc1c2c(nc3ccccc13)C(=N)CC=C2 ZINC000169347095 HH Annotated Anodyne COc1cc(/C=C/C(=O)N[C@@H]2CCc3[nH]c4ccccc4c3C2)cc(OC)c1OC ZINC000169348270 HH Annotated Anodyne COc1cc(/C=C/C(=O)N[C@H]2CCc3[nH]c4ccccc4c3C2)cc(OC)c1OC ZINC000169348271 HH Annotated Anodyne C[C@@H](c1ccc(F)c(OC(F)(F)F)c1)N1C(=O)CS(=O)(=O)c2ccsc21 ZINC000169348912 HH Annotated Anodyne C[C@H](c1ccc(F)c(OC(F)(F)F)c1)N1C(=O)CS(=O)(=O)c2ccsc21 ZINC000169348913 HH Annotated Anodyne Cc1cc(OC[C@@H]2CCCO2)ccc1-c1ccc(COc2ncccc2C(N)=O)nc1 ZINC000169348930 HH Annotated Anodyne Cc1cc(OC[C@H]2CCCO2)ccc1-c1ccc(COc2ncccc2C(N)=O)nc1 ZINC000169348931 HH Annotated Anodyne NC(=O)c1cccnc1OCc1ncc(-c2ccc(OCCCF)cc2Cl)cn1 ZINC000169348941 HH Annotated Anodyne COCCOc1ccc(-c2ccc(COc3ncccc3C(=O)N(C)C)nc2)c(C)c1 ZINC000169348949 HH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccc(Cl)cc1 ZINC000169350236 HH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccc(Cl)cc1 ZINC000169350237 HH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)/C=C/c1ccc(C)cc1 ZINC000169350246 HH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)/C=C/c1ccc(C)cc1 ZINC000169350247 HH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)/C=C/c1ccc(F)cc1 ZINC000169350260 HH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)/C=C/c1ccc(F)cc1 ZINC000169350261 HH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)/C=C/c1ccc(C#N)cc1 ZINC000169350267 HH Annotated Mild CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)/C=C/c1ccc(C#N)cc1 ZINC000169350268 HH Annotated Mild CC(C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(=O)C(C)C ZINC000169350755 HH Annotated Anodyne Cc1ccc(NS(=O)(=O)N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000169351023 HH Annotated Anodyne Cc1ccc(NS(=O)(=O)N2C(=O)CS[C@H]2c2c(F)cccc2Cl)cc1 ZINC000169351024 HH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccc2ncccc2c1 ZINC000169351558 HH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccc2ncccc2c1 ZINC000169351559 HH Annotated Anodyne CC(C)n1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccccc34)CC2)c1Cl ZINC000169351692 HH Annotated Anodyne NS(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)[nH]2)c(Cl)cc1Cl ZINC000169351737 HH Annotated Anodyne CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@@H]1CNc1ccc(Cl)cc1 ZINC000169351915 HH Annotated Anodyne CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@H]1CNc1ccc(Cl)cc1 ZINC000169351917 HH Annotated Anodyne O=C(NCc1ccc(F)cc1F)c1c(Nc2ccccc2)c2cccnc2n(O)c1=O ZINC000169352001 HH Annotated Anodyne CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(N(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000169352061 HH Annotated Mild CCOC(=O)c1ccc2c(c1)nc(-c1ccc(O)cc1)n2CCCN1CCCC1=O ZINC000169353524 HH Annotated Anodyne Cc1cnc2c(C(=O)NCCF)cn(Cc3nccc(OCC(F)(F)F)c3C)c2c1 ZINC000169353745 HH Annotated Anodyne CC(C)(C)CCOc1cccc(O)c1C(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000169353926 HH Annotated Mild CCOC(=O)CN1C(=O)[C@@]2(OC[C@@H]3Cc4ccccc4[C@@H]3C=C2C)c2ccccc21 ZINC000169354865 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000169355099 HH Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000169355100 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000169355101 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000169355226 HH Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000169355227 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000169355228 HH Annotated Anodyne COc1ccc2c(c1)CO[C@@H]([C@@H](O)CO)[C@@H]2/C=C\C#Cc1ccc(C(C)(C)C)cc1 ZINC000169355547 HH Annotated Mild COc1ccc2c(c1)CO[C@@H]([C@@H](O)CO)[C@@H]2/C=C/C#Cc1ccc(C(C)(C)C)cc1 ZINC000169355548 HH Annotated Mild COc1ccc2c(c1)CO[C@H]([C@@H](O)CO)[C@@H]2/C=C\C#Cc1ccc(C(C)(C)C)cc1 ZINC000169355549 HH Annotated Mild COc1ccc2c(c1)CO[C@H]([C@@H](O)CO)[C@@H]2/C=C/C#Cc1ccc(C(C)(C)C)cc1 ZINC000169355550 HH Annotated Mild Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000169356120 HH Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000169356121 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000169356122 HH Annotated Anodyne C=CC[C@@H]1C=C[C@@H](O/N=C(\C)CCN2CCCCc3nc(C)c(C)cc32)[C@@H](CO)O1 ZINC000169356381 HH Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C(/C)CCN2CCCCc3nc(C)c(C)cc32)[C@@H](CO)O1 ZINC000169356382 HH Annotated Mild COc1ccc(S[C@@H]2CC(=O)O[C@@H](C)CCC/C=C\[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 ZINC000169359083 HH Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(N)cc2)CC(=O)O1 ZINC000169359906 HH Annotated Anodyne O=CC1=C[C@]23CC/C=C/CCCCN4CC[C@@H]1[C@]1(C[C@@H]5CCC(=O)CC[C@@H](O2)N5[C@@H]31)C4 ZINC000169360879 HH Annotated Reactive COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 ZINC000169363036 HH Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 ZINC000169363037 HH Annotated Anodyne COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 ZINC000169363038 HH Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@@H](CC#N)C2)[C@]13C(=O)O ZINC000169363085 HH Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CC#N)C2)[C@]13C(=O)O ZINC000169363087 HH Annotated Mild CC[C@@H]1C[N+]2(CCCC3(C)N=N3)[C@H]3C[C@@H]1[C@@H]1[C@H](O)[C@]4(C[C@H]12)c1ccccc1N(C)[C@H]34 ZINC000169363272 HH Annotated Bother CC[C@H]1C[N+]2(CCCC3(C)N=N3)[C@H]3C[C@@H]1[C@@H]1[C@H](O)[C@]4(C[C@H]12)c1ccccc1N(C)[C@H]34 ZINC000169363273 HH Annotated Bother O=S1(=O)[C@@H]2C[C@@H]3O[C@@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000169366045 HH Annotated Anodyne COc1cc([C@H](O)[C@H](C)[C@H](C)Cc2cc(OC)c3c(c2)OCO3)cc(O)c1OC ZINC000169369714 HH Annotated Anodyne COc1cc([C@H](O)[C@H](C)[C@@H](C)Cc2cc(OC)c3c(c2)OCO3)cc(O)c1OC ZINC000169369716 HH Annotated Anodyne COc1cc([C@H](O)[C@@H](C)[C@H](C)Cc2cc(OC)c3c(c2)OCO3)cc(O)c1OC ZINC000169369717 HH Annotated Anodyne C[C@H](c1ccncc1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000169370780 HH Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C/C(=O)O2)O1 ZINC000169370846 HH Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C/C(=O)O2)O1 ZINC000169370847 HH Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(O)cc2)CC(=O)O1 ZINC000169371551 HH Annotated Anodyne O=CC1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000169371953 HH Annotated Reactive O=CC1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000169371954 HH Annotated Reactive Cc1cc(-c2c(F)cc3c4nn(CC(=O)O)c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1 ZINC000169372119 HH Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccccc2N)CC(=O)O1 ZINC000169372477 HH Annotated Anodyne CN1C[C@@H](c2ccccc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000169402844 HH Annotated Clean CN1C[C@H](c2ccccc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000169402858 HH Annotated Clean CO[C@@]12C(C=O)=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000169423398 HH Annotated Reactive in-man CO[C@]12C(C=O)=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000169423406 HH Annotated Reactive in-man endogenous CO[C@@]12C(C=O)=C[C@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000169423415 HH Annotated Reactive in-man NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000169586065 HH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000169586066 HH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000169586068 HH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2ccccc2)cc1 ZINC000169586070 HH Annotated Anodyne C=C1[C@@H]2C(=O)[C@]3(C)C[C@@H]4C(=O)OC[C@]14[C@@]1(CC[C@H]4C(C)(C)OC(=O)C=C[C@]4(C)[C@H]21)C3 ZINC000169640399 HH Annotated Mild CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@@H]12)C3(C)C ZINC000169668952 HH Annotated Mild C/C(=C\[C@@H](O)[C@@H](C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C ZINC000169670614 HH Annotated Mild NC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000169685490 HH Annotated Anodyne CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccccc1[N+](=O)[O-])CCCC3 ZINC000169686280 HH Annotated Bother CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccccc1[N+](=O)[O-])CCCC3 ZINC000169686281 HH Annotated Bother CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccccc1[N+](=O)[O-])CCCC3 ZINC000169686282 HH Annotated Bother CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccccc1[N+](=O)[O-])CCCC3 ZINC000169686283 HH Annotated Bother Cc1ccc(-n2c(O)cc(N3CCN([C@@H]4CCc5ccccc5C4)CC3)c2O)cc1 ZINC000169686652 HH Annotated Anodyne Cc1ccc(-n2c(O)cc(N3CCN([C@H]4CCc5ccccc5C4)CC3)c2O)cc1 ZINC000169686653 HH Annotated Anodyne COc1cc(C/N=N/c2cc(C)nc(NS(=O)(=O)c3ccccc3)n2)ccc1O ZINC000169686809 HH Annotated Clean CC(C)COC(=O)NC[C@]12C=C[C@H](O1)c1c2c(O)n(-c2ccc(Cl)cc2)c1O ZINC000169687384 HH Annotated Anodyne CC(C)COC(=O)NC[C@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccc(Cl)cc2)c1O ZINC000169687385 HH Annotated Anodyne CC(C)COC(=O)NC[C@@]12C=C[C@H](O1)c1c2c(O)n(-c2ccc(Cl)cc2)c1O ZINC000169687386 HH Annotated Anodyne CC(C)COC(=O)NC[C@@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccc(Cl)cc2)c1O ZINC000169687387 HH Annotated Anodyne CCOC(=O)[C@@H]1C(Cn2cnc3ccccc32)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000169687456 HH Annotated Anodyne CCOC(=O)[C@H]1C(Cn2cnc3ccccc32)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000169687457 HH Annotated Anodyne CCOC(=O)[C@@H]1C(Cn2cnc3ccccc32)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000169687458 HH Annotated Anodyne CCOC(=O)[C@H]1C(Cn2cnc3ccccc32)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000169687459 HH Annotated Anodyne CCOC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3ccccc3OCC)[C@H]2C1 ZINC000169687737 HH Annotated Reactive CC1=Nc2nc(CCCO)nn2[C@H](c2cccc(C)c2)[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000169687784 HH Annotated Anodyne CC1=Nc2nc(CCCO)nn2[C@@H](c2cccc(C)c2)[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000169687785 HH Annotated Anodyne CC1=Nc2nc(CCCO)nn2[C@H](c2cccc(C)c2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000169687786 HH Annotated Anodyne CC1=Nc2nc(CCCO)nn2[C@@H](c2cccc(C)c2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000169687787 HH Annotated Anodyne Oc1cc(N2CCN(c3nc4ccccc4s3)CC2)c(O)n1-c1ccc(F)cc1 ZINC000169688018 HH Annotated Anodyne COc1ccc(-c2csc(/C(C#N)=C/[c-]3ccc(=O)c([N+](=O)[O-])c3)n2)cc1OC ZINC000169688614 HH Annotated Reactive CCOc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 ZINC000169688625 HH Annotated Anodyne CCOc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 ZINC000169688626 HH Annotated Anodyne CCOc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 ZINC000169688627 HH Annotated Anodyne CCOc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 ZINC000169688628 HH Annotated Anodyne C=CCOc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 ZINC000169688631 HH Annotated Mild C=CCOc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 ZINC000169688632 HH Annotated Mild C=CCOc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 ZINC000169688633 HH Annotated Mild C=CCOc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 ZINC000169688634 HH Annotated Mild Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000169688655 HH Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000169688656 HH Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000169688657 HH Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000169688658 HH Annotated Anodyne CC(C)c1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3cccs3)[C@@H]2c2ccccc2)s1 ZINC000169688686 HH Annotated Anodyne CC(C)c1nnc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@@H]2c2ccccc2)s1 ZINC000169688687 HH Annotated Anodyne CC(C)c1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3cccs3)[C@H]2c2ccccc2)s1 ZINC000169688688 HH Annotated Anodyne CC(C)c1nnc(N2C(=O)C(=O)[C@H](C(=O)c3cccs3)[C@H]2c2ccccc2)s1 ZINC000169688689 HH Annotated Anodyne COc1cccc([C@@H]2C3=C(CCCC3=O)OC(=N)[C@@H]2C#N)c1OC(=O)c1ccco1 ZINC000169688779 HH Annotated Mild COc1cccc([C@H]2C3=C(CCCC3=O)OC(=N)[C@@H]2C#N)c1OC(=O)c1ccco1 ZINC000169688780 HH Annotated Mild CCOc1ccc(/N=C(C(=C(\Cl)C(Cl)Cl)/[N+](=O)[O-])\n2cncn2)cc1 ZINC000169688825 HH Annotated Reactive COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1/C(C)=N/c1ccccc1 ZINC000169688905 HH Annotated Mild Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2cccc3ccccc23)s1 ZINC000169688933 HH Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2cccc3ccccc23)s1 ZINC000169688934 HH Annotated Anodyne C=CCOc1cccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000169688987 HH Annotated Mild C=CCOc1cccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000169688988 HH Annotated Mild C=CCOc1cccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000169688989 HH Annotated Mild C=CCOc1cccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000169688990 HH Annotated Mild COc1ccc(OC)c([C@@H]2C(C(=O)Nc3cccnc3)=C(C)N=C3CCCC(=O)[C@@H]32)c1 ZINC000169689080 HH Annotated Anodyne COc1ccc(OC)c([C@H]2C(C(=O)Nc3cccnc3)=C(C)N=C3CCCC(=O)[C@@H]32)c1 ZINC000169689081 HH Annotated Anodyne COc1ccc(OC)c([C@@H]2C(C(=O)Nc3cccnc3)=C(C)N=C3CCCC(=O)[C@H]32)c1 ZINC000169689082 HH Annotated Anodyne COc1ccc(OC)c([C@H]2C(C(=O)Nc3cccnc3)=C(C)N=C3CCCC(=O)[C@H]32)c1 ZINC000169689083 HH Annotated Anodyne O=c1c(/C=N/c2ccc(N3CCOCC3)cc2)c[c-](Cc2ccccc2)cc1[N+](=O)[O-] ZINC000169689218 HH Annotated Mild CSc1cccc(-c2nnc(NC(=O)c3cccc(-n4c(O)ccc4O)c3)o2)c1 ZINC000169689640 HH Annotated Anodyne O=[N+]([O-])c1cc(-n2c(O)c3c(c2O)CC=CC3)ccc1NCCc1ccc(O)cc1 ZINC000169689888 HH Annotated Bother COc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000169690124 HH Annotated Anodyne COc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000169690125 HH Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)no1 ZINC000169690150 HH Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)no1 ZINC000169690151 HH Annotated Anodyne O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)[C@@H]1C(=O)c1ccco1 ZINC000169690232 HH Annotated Anodyne O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)[C@H]1C(=O)c1ccco1 ZINC000169690233 HH Annotated Anodyne O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)[C@@H]1C(=O)c1ccco1 ZINC000169690234 HH Annotated Anodyne O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)[C@H]1C(=O)c1ccco1 ZINC000169690235 HH Annotated Anodyne CCOc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000169690265 HH Annotated Anodyne CCOc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000169690266 HH Annotated Anodyne CCOc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000169690267 HH Annotated Anodyne CCOc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000169690268 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1 ZINC000169690871 HH Annotated Reactive CC(C)(C)OC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1 ZINC000169690872 HH Annotated Reactive Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(C(C)C)c3ccccc31)[C@@H](C#N)C(=N)O2 ZINC000169690967 HH Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(C(C)C)c3ccccc31)[C@@H](C#N)C(=N)O2 ZINC000169690968 HH Annotated Mild CCOC(=O)[C@@H]1/C(=C/N2CCc3ccccc32)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000169691170 HH Annotated Anodyne CCOC(=O)[C@H]1/C(=C/N2CCc3ccccc32)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000169691171 HH Annotated Anodyne CCOC(=O)[C@@H]1/C(=C/N2CCc3ccccc32)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000169691172 HH Annotated Anodyne CCOC(=O)[C@H]1/C(=C/N2CCc3ccccc32)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000169691173 HH Annotated Anodyne Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@@H]65)[C@H]4C3=O)o2)c([N+](=O)[O-])c1 ZINC000169691702 HH Annotated Mild Cc1ccc(-c2ccc(/C=N\N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@@H]65)[C@H]4C3=O)o2)c([N+](=O)[O-])c1 ZINC000169691703 HH Annotated Mild Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4[C@H]4C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000169691704 HH Annotated Mild Cc1ccc(-c2ccc(/C=N\N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4[C@H]4C[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000169691705 HH Annotated Mild C=CCn1/c(=N/C(=O)c2cccc(-n3c(O)ccc3O)c2)sc2cccc(OC)c21 ZINC000169691863 HH Annotated Mild CC(C)c1ccc(C/N=N/c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000169692359 HH Annotated Clean COC(=O)c1c(NC(=O)Cc2sc(N)nc2O)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000169693099 HH Annotated Anodyne COC(=O)c1c(NC(=O)Cc2sc(N)nc2O)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000169693100 HH Annotated Anodyne Cc1ccc(-n2c(O)c(/C=N/N3CCCC[C@@H]3c3cccnc3)c(=O)[nH]c2=S)cc1 ZINC000169693149 HH Annotated Mild Cc1ccc(-n2c(O)c(/C=N/N3CCCC[C@H]3c3cccnc3)c(=O)[nH]c2=S)cc1 ZINC000169693150 HH Annotated Mild CC(=O)N=[S@@](=O)(O)c1ccc(/N=C/[C@@H]2C(=O)Nc3ccc4ncsc4c32)cc1 ZINC000169693369 HH Annotated Mild CC(=O)N=[S@@](=O)(O)c1ccc(/N=C/[C@H]2C(=O)Nc3ccc4ncsc4c32)cc1 ZINC000169693370 HH Annotated Mild Cc1c(COc2ccc([N+](=O)[O-])cc2)c2c(O)c(/N=C/CCCN)cc(O)c2n1C ZINC000169693556 HH Annotated Mild Cc1c(COc2c(F)cc(F)cc2F)c2c(O)c(/N=C/CCN)cc(O)c2n1C ZINC000169693560 HH Annotated Mild O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)[C@@H]1SCc1cccc(C(F)(F)F)c1 ZINC000169693700 HH Annotated Anodyne O=C1CN(Cc2ccc3c(c2)OCO3)C(=O)[C@H]1SCc1cccc(C(F)(F)F)c1 ZINC000169693701 HH Annotated Anodyne COc1ccc(CN2CC(=O)[C@@H](SCc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000169693702 HH Annotated Anodyne COc1ccc(CN2CC(=O)[C@H](SCc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000169693703 HH Annotated Anodyne Cc1ccc(/N=C/C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000169693805 HH Annotated Mild CN(C)c1ccc(/C=N/NC(=O)C(=O)CC2=NC3(CCCC3)Cc3ccccc32)cc1 ZINC000169693817 HH Annotated Reactive CC(=O)[C@@H]1C(=O)C(=O)N(c2cc(C(C)(C)C)on2)[C@@H]1c1ccc(Br)cc1 ZINC000169693989 HH Annotated Anodyne CC(=O)[C@H]1C(=O)C(=O)N(c2cc(C(C)(C)C)on2)[C@@H]1c1ccc(Br)cc1 ZINC000169693990 HH Annotated Anodyne CC(=O)[C@@H]1C(=O)C(=O)N(c2cc(C(C)(C)C)on2)[C@H]1c1ccc(Br)cc1 ZINC000169693991 HH Annotated Anodyne CC(=O)[C@H]1C(=O)C(=O)N(c2cc(C(C)(C)C)on2)[C@H]1c1ccc(Br)cc1 ZINC000169693992 HH Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2nc[nH]c2c1 ZINC000169694230 HH Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2nc[nH]c2c1 ZINC000169694231 HH Annotated Anodyne CC1=NC(C)=C(C#N)[C@@H](c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)[C@@H]1C#N ZINC000169694596 HH Annotated Reactive CC1=NC(C)=C(C#N)[C@H](c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)[C@@H]1C#N ZINC000169694597 HH Annotated Reactive CC1=NC(C)=C(C#N)[C@@H](c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)[C@H]1C#N ZINC000169694598 HH Annotated Reactive CC1=NC(C)=C(C#N)[C@H](c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)[C@H]1C#N ZINC000169694599 HH Annotated Reactive COc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169694962 HH Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169694963 HH Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169694964 HH Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169694965 HH Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]2c2ccccc2OCC#N)cc1 ZINC000169696449 HH Annotated Mild CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]2c2ccccc2OCC#N)cc1 ZINC000169696450 HH Annotated Mild CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]2c2ccccc2OCC#N)cc1 ZINC000169696451 HH Annotated Mild CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]2c2ccccc2OCC#N)cc1 ZINC000169696452 HH Annotated Mild COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(N(C)C)cc1 ZINC000169696776 HH Annotated Anodyne Cc1ncc(C#Cc2c(C)ncnc2NC(C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000169697510 HH Annotated Mild CC[C@H](C)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](C)CC)s2)s1 ZINC000169697831 HH Annotated Anodyne CC[C@H](C)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](C)CC)s2)s1 ZINC000169697832 HH Annotated Anodyne CC[C@@H](C)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](C)CC)s2)s1 ZINC000169697833 HH Annotated Anodyne [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OC2)[C@@H]1c1cc2c(NC(=O)c3ccccc3)nccc2o1 ZINC000169698729 HH Annotated Reactive [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OC2)[C@@H]1c1cc2c(NC(=O)c3ccccc3)nccc2o1 ZINC000169698730 HH Annotated Reactive [C-]#[N+][C@@H]1C(C)=NC2=C(C(=O)OC2)[C@H]1c1cc2c(NC(=O)c3ccccc3)nccc2o1 ZINC000169698731 HH Annotated Reactive [C-]#[N+][C@H]1C(C)=NC2=C(C(=O)OC2)[C@H]1c1cc2c(NC(=O)c3ccccc3)nccc2o1 ZINC000169698732 HH Annotated Reactive Cc1ccccc1NC(=O)OCc1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1 ZINC000169698789 HH Annotated Anodyne Cc1cc([C@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)[C@H]3C[C@@H]3F)cc2cn1 ZINC000169700143 HH Annotated Anodyne Cc1cc([C@@H](O)C(F)(F)F)ncc1-c1cc2cnc(NC(=O)[C@H]3C[C@@H]3F)cc2cn1 ZINC000169700144 HH Annotated Anodyne CCc1c(N[C@@H](C2=NO[C@@H](c3ccc(C#N)cc3)O2)[C@H](C)O)ccc(C#N)c1Cl ZINC000169700273 HH Annotated Mild CCc1c(N[C@@H](C2=NO[C@H](c3ccc(C#N)cc3)O2)[C@H](C)O)ccc(C#N)c1Cl ZINC000169700274 HH Annotated Mild CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)NOC ZINC000169701147 HH Annotated Mild CNC(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F ZINC000169701456 HH Annotated Anodyne O=C1CCCCN1CC1(O)CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000169701634 HH Annotated Anodyne CC(C)Oc1ccc(N2CCC3(CCC(O)(CN4CCCCC4=O)CC3)C2=O)cc1 ZINC000169701636 HH Annotated Anodyne CC(C)O[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OCC(F)(F)F)cc1)C2=O ZINC000169702044 HH Annotated Anodyne CO[C@H](c1ccc(N2CC[C@@]3(CC[C@@H](O)[C@H](OC(C)C)C3)C2=O)cc1)C(F)(F)F ZINC000169702045 HH Annotated Anodyne COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2)C[C@H]3C)n1 ZINC000169702261 HH Annotated Anodyne COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2C)CC3)n1 ZINC000169702278 HH Annotated Anodyne COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2)C[C@@H]3C)n1 ZINC000169702285 HH Annotated Anodyne Cn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(Cl)c2)CC3)n1 ZINC000169702326 HH Annotated Anodyne COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2cccc(C)c2)CC3)n1 ZINC000169702342 HH Annotated Anodyne O=C(N/N=C/c1ccc(Cl)cc1)c1cc(Br)c(Br)[nH]1 ZINC000169702854 HH Annotated Reactive Cn1c(C(=O)N/N=C/c2ccc(Cl)cc2)cc(Br)c1Br ZINC000169702864 HH Annotated Reactive C[C@@H](c1ccc(-c2ccc(C(=O)N(C)C)nc2)cc1)N1CC[C@]2(CC[C@@H](O)C2)OC1=O ZINC000169703340 HH Annotated Anodyne COC(=O)c1cccnc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000169703412 HH Annotated Anodyne N[C@@H]1CC[C@@H](Nc2ncc(Cl)c(-c3cccc(NCc4ccncc4)n3)n2)CC1 ZINC000169703637 HH Annotated Anodyne Clc1cnc(NC[C@H]2CCCN2)cc1-c1cccc(NCC2CCOCC2)n1 ZINC000169703833 HH Annotated Anodyne Clc1cnc(NC[C@@H]2CCCN2)cc1-c1cccc(NCC2CCOCC2)n1 ZINC000169703834 HH Annotated Anodyne C[C@@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3cnn(C)c3)nc2n1 ZINC000169704090 HH Annotated Anodyne C[C@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3cnn(C)c3)nc2n1 ZINC000169704091 HH Annotated Anodyne N=C(/C=C\CN)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000169704605 HH Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000169704975 HH Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000169704976 HH Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000169704977 HH Annotated Anodyne CSc1nn(-c2cccc(C)c2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12 ZINC000169706035 HH Annotated Anodyne Cn1ncc(-c2nn(C)c3ncnc(N4CC(F)(F)C4)c23)c1-c1ccc(C2CC2)cc1 ZINC000169706115 HH Annotated Anodyne Cc1cc(C(F)(F)F)ccc1-c1c(-c2nn(C)c3ncnc(N(C)C)c23)cnn1C ZINC000169706123 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CC(=O)N[C@@H]3C)nn2-c2ccccc2)c1 ZINC000169706954 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CC(=O)N[C@@H]3C)nn2-c2ccccc2)c1 ZINC000169706955 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CC(=O)N[C@H]3C)nn2-c2ccccc2)c1 ZINC000169706956 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CC(=O)N[C@H]3C)nn2-c2ccccc2)c1 ZINC000169706957 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@]3(C)CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169706958 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@]3(C)CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169706959 HH Annotated Anodyne CC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169706962 HH Annotated Anodyne CC(C)(C)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169706963 HH Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169706964 HH Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169706965 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)[C@@H]3C)nn2-c2ccccc2)c1 ZINC000169706971 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@@H]3C)nn2-c2ccccc2)c1 ZINC000169706972 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)[C@H]3C)nn2-c2ccccc2)c1 ZINC000169706973 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@H]3C)nn2-c2ccccc2)c1 ZINC000169706974 HH Annotated Anodyne CCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169706987 HH Annotated Anodyne CCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169706988 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccc(C)cc2)c1 ZINC000169706990 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(C)cc2)c1 ZINC000169706991 HH Annotated Anodyne CCCc1cc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)ccc1F ZINC000169706992 HH Annotated Anodyne CCCc1cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)ccc1F ZINC000169706993 HH Annotated Anodyne CC(C)Cc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707013 HH Annotated Anodyne CC(C)Cc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707014 HH Annotated Anodyne CCCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707017 HH Annotated Anodyne CCCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707018 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2cccc(C)c2)c1 ZINC000169707019 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(C)c2)c1 ZINC000169707020 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2Cc2ccccc2)c1 ZINC000169707036 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2Cc2ccccc2)c1 ZINC000169707037 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2C)c1 ZINC000169707040 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2cccc(F)c2)c1 ZINC000169707041 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(F)c2)c1 ZINC000169707042 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCc2ccccc2)c1 ZINC000169707045 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2F)c1 ZINC000169707056 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2F)c1 ZINC000169707057 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccc(OC)cc2)c1 ZINC000169707061 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2cccc(OC)c2)c1 ZINC000169707062 HH Annotated Anodyne CC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707100 HH Annotated Anodyne C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(C(C)(C)C)c2)n(C2CCOCC2)n1 ZINC000169707118 HH Annotated Anodyne CC(C)(C)c1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)NC3)nn2C2CCOCC2)c1 ZINC000169707125 HH Annotated Anodyne CC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CCC(=O)NC3)nn2C2CCOCC2)c1 ZINC000169707126 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2C)c1 ZINC000169707182 HH Annotated Anodyne CCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1 ZINC000169707188 HH Annotated Anodyne CC(C)(C)Oc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707207 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3CC)nn2-c2ccccc2)c1 ZINC000169707210 HH Annotated Anodyne CC(C)OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707212 HH Annotated Anodyne CCCOCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707213 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3CC)nn2-c2ccccc2)c1 ZINC000169707216 HH Annotated Anodyne CCCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)O3)nn2-c2ccccc2)c1 ZINC000169707219 HH Annotated Anodyne CC(C)OCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707224 HH Annotated Anodyne CCCOCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707225 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)OC3)nn2-c2ccccc2)c1 ZINC000169707261 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)OC3)nn2-c2ccccc2)c1 ZINC000169707262 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OC)c2)c1 ZINC000169707267 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C34CC4)nn2-c2ccccc2)c1 ZINC000169707282 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C34CC4)nn2-c2ccccc2)c1 ZINC000169707283 HH Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(OC)cc2)c1 ZINC000169707284 HH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cncnc21 ZINC000169707642 HH Annotated Mild Cc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)cn1 ZINC000169707709 HH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3c(F)cccc3Cl)c2)c2cncnc21 ZINC000169707731 HH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)CCc3ccccc3Cl)c2)c2cncnc21 ZINC000169707749 HH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Nc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707847 HH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)CCc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707867 HH Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)CCc3cccc(Cl)c3)c2)c2cncnc21 ZINC000169707870 HH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ncoc3C3CC3)c2)c2cncnc21 ZINC000169707924 HH Annotated Anodyne Cc1ccnc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1 ZINC000169707926 HH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3coc(C4CC4)n3)c2)c2cncnc21 ZINC000169707934 HH Annotated Anodyne Cc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)ccn1 ZINC000169707949 HH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cncc(Cl)c3)c2)c2cncnc21 ZINC000169707956 HH Annotated Anodyne CC(C)n1cnc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1 ZINC000169707959 HH Annotated Anodyne Cc1cccc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1 ZINC000169707964 HH Annotated Anodyne CCc1ccnc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1 ZINC000169707967 HH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc(Cl)cn3)c2)c2cncnc21 ZINC000169707986 HH Annotated Anodyne CCc1nc(C)c(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)o1 ZINC000169708003 HH Annotated Anodyne Cc1cccnc1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169708007 HH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ncccc3Cl)c2)c2cncnc21 ZINC000169708011 HH Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc(C4CC4)on3)c2)c2cncnc21 ZINC000169708013 HH Annotated Anodyne Cc1ccncc1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169708015 HH Annotated Anodyne Cc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)nc1 ZINC000169708339 HH Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cnc(C(F)(F)F)nc3C2)CS[C@H]1c1cc(F)ccc1F ZINC000169708410 HH Annotated Anodyne NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nc4ccncc4o3)C[C@H]2CS1 ZINC000169708456 HH Annotated Anodyne NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ccc4nccn4c3)C[C@H]2CS1 ZINC000169708461 HH Annotated Anodyne NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nc4cnccc4o3)C[C@H]2CS1 ZINC000169708472 HH Annotated Anodyne NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3nc(C(F)F)co3)C[C@H]2CS1 ZINC000169708476 HH Annotated Anodyne CC1=N[C@@]2(C[C@@H]([C@@H]3CCOC(C)(C)C3)Oc3ccc(Br)cc32)N=C1N ZINC000169708654 HH Annotated Anodyne CC1=N[C@]2(C[C@@H]([C@@H]3CCOC(C)(C)C3)Oc3ccc(Br)cc32)N=C1N ZINC000169708655 HH Annotated Anodyne CC1=N[C@@]2(C[C@H]([C@@H]3CCOC(C)(C)C3)Oc3ccc(Br)cc32)N=C1N ZINC000169708656 HH Annotated Anodyne CC1=N[C@]2(C[C@H]([C@@H]3CCOC(C)(C)C3)Oc3ccc(Br)cc32)N=C1N ZINC000169708657 HH Annotated Anodyne Cc1nn(-c2ccnc(Nc3ccc4oc(C)c(Cl)c4c3)n2)cc1CN1CC(O)C1 ZINC000169709016 HH Annotated Anodyne Cc1cccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4cncs4)cc3)C2)n1 ZINC000169709311 HH Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)CC#N)cc3)C2)ccn1 ZINC000169709399 HH Annotated Mild CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)CC#N)cc3)C2)ccn1 ZINC000169709400 HH Annotated Mild CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)[C@@H](C)C#N)cc3)C2)ccn1 ZINC000169709436 HH Annotated Mild CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)[C@@H](C)C#N)cc3)C2)ccn1 ZINC000169709437 HH Annotated Mild C[C@H](NC(=O)CC#N)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709533 HH Annotated Mild C[C@H](NC(=O)CC#N)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709534 HH Annotated Mild CC(C)(C)C1CCC(NC(=O)c2cccc(N3CCc4nc(N)ncc4C3)c2)CC1 ZINC000169710055 HH Annotated Anodyne O=C1N=Nc2nc(CN3CCCN(Cc4ccc(F)cc4)CC3)nc3cccc1c23 ZINC000169710151 HH Annotated Anodyne NC(=O)c1ccc(-c2ccnc3c(-n4cnc(-c5cccnc5)c4)cccc23)cc1N ZINC000169710348 HH Annotated Anodyne N[C@H]1C[C@@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710667 HH Annotated Anodyne NC1CC(NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3cccnc3)O4)s2)C1 ZINC000169710669 HH Annotated Anodyne NC1CC(NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3cccnc3)O4)s2)C1 ZINC000169710670 HH Annotated Anodyne N[C@H]1C[C@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710684 HH Annotated Anodyne COc1cc(NS(=O)(=O)c2cn(C)c(C)n2)ccc1-c1cncc2ccccc12 ZINC000169710775 HH Annotated Anodyne Cc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 ZINC000169711671 HH Annotated Anodyne Cc1nc([C@H]2CCOC2)c2c(N3CCc4cc(Cl)c(Cl)cc4C3)ncnn12 ZINC000169711683 HH Annotated Anodyne [C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(C4CCNCC4)c3Cl)nn12 ZINC000169711951 HH Annotated Mild N#CC(C#N)c1nc2ccccc2n1CCNCc1ccc(CN2CCCCC2)o1 ZINC000169714635 HH Annotated Mild COc1cccc([C@@H]2CC(=O)[C@@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)c1OC ZINC000169715406 HH Annotated Anodyne COc1cccc([C@H]2CC(=O)[C@@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)c1OC ZINC000169715407 HH Annotated Anodyne COc1cccc([C@@H]2CC(=O)[C@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)c1OC ZINC000169715408 HH Annotated Anodyne COc1cccc([C@H]2CC(=O)[C@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)c1OC ZINC000169715409 HH Annotated Anodyne COc1ccc([C@@H]2CC(=O)[C@@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)cc1OC ZINC000169715444 HH Annotated Anodyne COc1ccc([C@H]2CC(=O)[C@@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)cc1OC ZINC000169715445 HH Annotated Anodyne COc1ccc([C@@H]2CC(=O)[C@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)cc1OC ZINC000169715446 HH Annotated Anodyne COc1ccc([C@H]2CC(=O)[C@H]3C(=Nc4ccc(Cl)cc4S3(=O)=O)C2)cc1OC ZINC000169715447 HH Annotated Anodyne Nc1ccc(SSCCNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)N=O)cc1 ZINC000169717434 HH Annotated Reactive Nc1ccc(SSCCNC(=O)[C@H](Cc2ccc(O)c(Cl)c2)N=O)cc1 ZINC000169717435 HH Annotated Reactive C[C@@H](c1ccccc1)[C@H]1C(=O)O[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O ZINC000169718159 HH Annotated Anodyne C[C@H](c1ccccc1)[C@H]1C(=O)O[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O ZINC000169718160 HH Annotated Anodyne CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@H](CCc2ccccc2)C1=O ZINC000169718165 HH Annotated Anodyne CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@H](c2c[nH]c3ccccc23)C1=O ZINC000169718176 HH Annotated Anodyne CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@H](c2c[nH]c3ccccc23)C1=O ZINC000169718177 HH Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)CC=CC4)cc2)cc1 ZINC000169718856 HH Annotated Anodyne CN(CCCCCn1c(O)c2n(c1=O)Cc1ccccc1C2)CCc1ccccc1 ZINC000169718936 HH Annotated Anodyne O=C(O)c1cc(CC2=C[C@@H](C(=O)O)C(=O)[C@@H](c3ccco3)C2)cc(-c2ccco2)c1O ZINC000169719940 HH Annotated Anodyne O=C(O)c1cc(CC2=C[C@H](C(=O)O)C(=O)[C@@H](c3ccco3)C2)cc(-c2ccco2)c1O ZINC000169719941 HH Annotated Anodyne O=C(O)c1cc(CC2=C[C@@H](C(=O)O)C(=O)[C@H](c3ccco3)C2)cc(-c2ccco2)c1O ZINC000169719942 HH Annotated Anodyne O=C(O)c1cc(CC2=C[C@H](C(=O)O)C(=O)[C@H](c3ccco3)C2)cc(-c2ccco2)c1O ZINC000169719943 HH Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)c2ccc(OCc3ccccn3)cc2C1=[N+](C)[O-] ZINC000169720139 HH Annotated Mild CNC(=O)[C@@H]1C2=Nc3ccccc3SC2=C(C)[C@@H](C(=O)NC)[C@H]1c1ccccc1 ZINC000169720518 HH Annotated Anodyne CNC(=O)[C@@H]1C2=Nc3ccccc3SC2=C(C)[C@H](C(=O)NC)[C@H]1c1ccccc1 ZINC000169720519 HH Annotated Anodyne CNC(=O)[C@@H]1C(C)=C2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccccc1 ZINC000169720520 HH Annotated Anodyne CNC(=O)[C@H]1C2=Nc3ccccc3SC2=C(C)[C@H](C(=O)NC)[C@H]1c1ccccc1 ZINC000169720521 HH Annotated Anodyne CNC(=O)[C@@H]1C2=Nc3ccccc3SC2=C(C)[C@@H](C(=O)NC)[C@H]1c1ccccc1C ZINC000169720522 HH Annotated Anodyne CNC(=O)[C@@H]1C2=Nc3ccccc3SC2=C(C)[C@H](C(=O)NC)[C@H]1c1ccccc1C ZINC000169720523 HH Annotated Anodyne CNC(=O)[C@@H]1C(C)=C2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccccc1C ZINC000169720524 HH Annotated Anodyne CNC(=O)[C@H]1C2=Nc3ccccc3SC2=C(C)[C@H](C(=O)NC)[C@H]1c1ccccc1C ZINC000169720525 HH Annotated Anodyne COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(N3CCOCC3)cc2)cc1OC ZINC000169723247 HH Annotated Clean CC1=NC(C)=C(C(=O)Nc2ccccn2)[C@@H](c2ccc[nH]2)[C@@H]1C(=O)Nc1ccccn1 ZINC000169724996 HH Annotated Anodyne CC1=NC(C)=C(C(=O)Nc2ccccn2)[C@H](c2ccc[nH]2)[C@@H]1C(=O)Nc1ccccn1 ZINC000169724997 HH Annotated Anodyne CC1=NC(C)=C(C(=O)Nc2ccccn2)[C@@H](c2ccc[nH]2)[C@H]1C(=O)Nc1ccccn1 ZINC000169724998 HH Annotated Anodyne CC1=NC(C)=C(C(=O)Nc2ccccn2)[C@H](c2ccc[nH]2)[C@H]1C(=O)Nc1ccccn1 ZINC000169724999 HH Annotated Anodyne C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2ccc(C#N)c(I)c2)c1O ZINC000169727167 HH Annotated Mild C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2ccc(C#N)c(I)c2)c1O ZINC000169727168 HH Annotated Mild C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2ccc(C#N)c(I)c2)c1O ZINC000169727169 HH Annotated Mild O=C(Nc1ccc(C2CCCCC2)cc1)[C@@H]1C(=O)N[C@@H](CCc2ccccc2)C1=O ZINC000169727264 HH Annotated Anodyne O=C(Nc1ccc(C2CCCCC2)cc1)[C@H]1C(=O)N[C@@H](CCc2ccccc2)C1=O ZINC000169727265 HH Annotated Anodyne O=C(Nc1ccc(C2CCCCC2)cc1)[C@@H]1C(=O)N[C@H](CCc2ccccc2)C1=O ZINC000169727266 HH Annotated Anodyne O=C(Nc1ccc(C2CCCCC2)cc1)[C@H]1C(=O)N[C@H](CCc2ccccc2)C1=O ZINC000169727267 HH Annotated Anodyne Cc1cc(C)c(CCC[PH](O)(O)CC(=O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 ZINC000169728582 HH Annotated Anodyne Cc1cc(C)c(CC[PH](O)(O)CC(=O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 ZINC000169728584 HH Annotated Anodyne O=c1n(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)cc(O)n1C1CC1 ZINC000169729168 HH Annotated Anodyne CCn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)c1=O ZINC000169729171 HH Annotated Anodyne O=c1n(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)cc(O)n1CC1CC1 ZINC000169729173 HH Annotated Anodyne CCCn1c(O)cn(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)c1=O ZINC000169729178 HH Annotated Anodyne O=c1n(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)cc(O)n1C1CC1 ZINC000169729180 HH Annotated Anodyne O=Nc1c([C@@H]2C(=O)Nc3c2cccc3C(F)(F)F)[nH]c2ccc(-c3nnn[nH]3)cc12 ZINC000169729494 HH Annotated Anodyne O=Nc1c([C@H]2C(=O)Nc3c2cccc3C(F)(F)F)[nH]c2ccc(-c3nnn[nH]3)cc12 ZINC000169729495 HH Annotated Anodyne C[C@@H]1[C@@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C[C@H]2C[C@@H]1C2(C)C ZINC000169729808 HH Annotated Anodyne C[C@H]1[C@H](n2c(=O)cc(O)n(CCc3ccc(Cl)cc3)c2=O)C[C@@H]2C[C@H]1C2(C)C ZINC000169729809 HH Annotated Anodyne CC1(C)[C@@H]2CC[C@H](Cn3c(=O)cc(O)n(CCc4ccc(Cl)cc4)c3=O)[C@H]1C2 ZINC000169729810 HH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](n1c(=O)cc(O)n(CCc3ccc(Cl)cc3)c1=O)C2 ZINC000169729811 HH Annotated Anodyne C[C@@H]1[C@@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C[C@H]2C[C@@H]1C2(C)C ZINC000169729813 HH Annotated Anodyne C[C@H]1[C@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C[C@@H]2C[C@H]1C2(C)C ZINC000169729814 HH Annotated Anodyne CC1(C)[C@@H]2CC[C@H](Cn3c(=O)cc(O)n(CCc4cccc(Cl)c4)c3=O)[C@H]1C2 ZINC000169729815 HH Annotated Anodyne C=CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000169729902 HH Annotated Mild C=CCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000169729903 HH Annotated Mild C=CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000169729904 HH Annotated Mild C=CCOC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000169729905 HH Annotated Mild O=[S@]1OC[C@@H]2[C@H](CO1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000169731001 HH Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2C(=O)C[C@@]2(C)[C@H](C(C)=O)[C@H](N4CC4)C[C@H]32)C1 ZINC000017020415 HH Annotated Anodyne CC(C)=CCC/C(C)=C\COc1ccc(/C=C2/C(=O)N(O)[C@@H](C)C(=O)N2O)cc1 ZINC000017061392 HH Annotated Anodyne O=C(/N=c1\scc(-c2ccc(Br)cc2)n1CCO)c1ccccc1 ZINC000017117731 HH Annotated Anodyne CO[C@H]1CC[C@H](OC)[C@H](C2([C@H]3C[C@H](OC)CC[C@H]3OC)OC(=O)c3ccccc32)C1 ZINC000017176460 HH Annotated Anodyne CO[C@H]1CC[C@@H](OC)[C@@H](C2([C@@H]3C[C@@H](OC)CC[C@@H]3OC)OC(=O)c3ccccc32)C1 ZINC000017176461 HH Annotated Anodyne CO[C@H]1CC[C@H](OC)[C@H](C2([C@H]3C[C@H](OC)CC[C@@H]3OC)OC(=O)c3ccccc32)C1 ZINC000017176462 HH Annotated Anodyne CO[C@H]1CC[C@H](OC)[C@@H](C2([C@@H]3C[C@@H](OC)CC[C@@H]3OC)OC(=O)c3ccccc32)C1 ZINC000017176463 HH Annotated Anodyne C[C@@H](Nc1ccc(S(=O)(=O)N=C(N)N)cc1)c1c2ccccc2nc2ccccc12 ZINC000017193364 HH Annotated Mild CO[C@H]1[C@@H]2c3ccccc3[C@@](C#N)(Cc3ccc4c(c32)OCO4)N1C(=O)c1ccccc1 ZINC000017193793 HH Annotated Mild CO[C@H]1[C@H]2c3cc4c(cc3C[C@](C#N)(c3ccccc32)N1C(=O)c1ccccc1)OCO4 ZINC000017193797 HH Annotated Mild Cc1nn(C(=O)Cc2ccccc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SC(N)=N2 ZINC000017221734 HH Annotated Bother C/C(=N\NC(=O)/C(C#N)=C\c1ccc(N(CCC#N)CCC#N)cc1)c1ccccc1 ZINC000017223279 HH Annotated Reactive O=C(N[C@@H]1C/C(=N/O)c2c(Br)sc(Br)c21)C(F)(F)F ZINC000017224167 HH Annotated Mild CCN(CC)[C@@H]1Oc2cc3c(cc2[C@H](c2cc(OC)c(O)c(OC)c2)[C@@H]1C)OCO3 ZINC000017255465 HH Annotated Anodyne CCN(CC)[C@H]1Oc2cc3c(cc2[C@H](c2cc(OC)c(O)c(OC)c2)[C@@H]1C)OCO3 ZINC000017255469 HH Annotated Anodyne CSc1c(C#N)c(N)nc2c(/N=N\c3ccc(Br)cc3)c(N)nn12 ZINC000017257343 HH Annotated Mild COC(=O)Cc1cc(O)c(C/C=C(\C)CC/C=C(\C)[C@H](O)C(=O)C=C(C)C)cc1O ZINC000017258194 HH Annotated Mild Cc1n(-c2ccccc2)c2c([n+]1Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1C2=O ZINC000017313263 HH Annotated Clean CCOP(=O)(Nc1ccc2c(c1)/C(=N/NC(N)=S)c1ccccc1-2)OCC ZINC000017417416 HH Annotated Mild Fc1ccc(N2CCN([C@@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 ZINC000170112478 HH Annotated Anodyne Fc1ccc(N2CCN([C@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 ZINC000170112481 HH Annotated Anodyne Oc1ccc(N2CCN([C@@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 ZINC000170112521 HH Annotated Anodyne Oc1ccc(N2CCN([C@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)cc1 ZINC000170112524 HH Annotated Anodyne Fc1cccc(N2CCN([C@@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)c1 ZINC000170112540 HH Annotated Anodyne Fc1cccc(N2CCN([C@H]3CC[Si](c4ccccc4)(c4ccccc4)C3)CC2)c1 ZINC000170112544 HH Annotated Anodyne Fc1ccccc1N1CCN([C@@H]2CC[Si](c3ccccc3)(c3ccccc3)C2)CC1 ZINC000170112564 HH Annotated Anodyne Fc1ccccc1N1CCN([C@H]2CC[Si](c3ccccc3)(c3ccccc3)C2)CC1 ZINC000170112568 HH Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 ZINC000170117990 HH Annotated Reactive CN1c2ccsc2C(=O)[C@H](/C(S)=N/c2ccc(F)c(Cl)c2)S1(=O)=O ZINC000017537533 HH Annotated Mild CCN(CC)C(=O)c1oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2c1C ZINC000017862295 HH Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)C3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017919575 HH Annotated Anodyne O/N=C1C(=C/c2ccc3c(c2)OCO3)/CCC[C@H]/1[C@H](NO)c1ccc2c(c1)OCO2 ZINC000017948689 HH Annotated Mild CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c(C4=NC(=S)NC4=O)c(O)n1c23 ZINC000018011374 HH Annotated Anodyne CC1(C)C[C@](C)(c2ccccc2)c2cccc3c(C4=NC(=S)NC4=O)c(O)n1c23 ZINC000018029741 HH Annotated Anodyne CC(=N)[C@@H](C#N)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 ZINC000018031372 HH Annotated Mild O=C(N[C@H]1C/C(=N/O)c2c(Br)sc(Br)c21)C(F)(F)F ZINC000018033528 HH Annotated Mild O=C(CNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000018043974 HH Annotated Clean CN1c2ccsc2C(=O)/C(=C(/S)Nc2ccc(F)c(Cl)c2)S1(=O)=O ZINC000018058231 HH Annotated Mild COc1ccc([C@@H]2C=CCN(C(=O)C3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018128200 HH Annotated Anodyne CCN(CC)C(=O)c1ccc(NC2=NNC(=C3C=CC(=O)C=C3)c3ccccc32)cc1 ZINC000018154215 HH Annotated Mild CCC(CC)C(=O)/N=c1/c2cnn(-c3ccccc3)c2nc(O)n1-c1ccccc1 ZINC000018178561 HH Annotated Anodyne O=C1C(Nc2ccc(O)cc2)=C/C(=N\S(=O)(=O)c2cccs2)c2ccccc21 ZINC000018193624 HH Annotated Mild in-vivo CC1CCC(NC(=O)c2ccc(C/N=c3\c(O)c(O)\c3=N/C3CCCCC3)cc2)CC1 ZINC000018209005 HH Annotated Anodyne O=C(CNC(=O)c1cccs1)/N=N\c1c(O)[nH]c2ccc(Br)cc12 ZINC000018246813 HH Annotated Clean COc1ccccc1NC(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 ZINC000018285419 HH Annotated Anodyne Cc1ccc(NC(=O)Cc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c(C)c1 ZINC000018941294 HH Annotated Anodyne CN(C)[C@@H](Cc1c(Cl)cccc1Cl)N/C(=N\c1ccc(C#N)cc1)NC#N ZINC000019320553 HH Annotated Mild CN(C)[C@H](Cc1c(Cl)cccc1Cl)N/C(=N/c1ccc(C#N)cc1)NC#N ZINC000019322035 HH Annotated Mild c1cnc2ccc([C@@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 ZINC000019346988 HH Annotated Anodyne c1cnc2ccc([C@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 ZINC000019346990 HH Annotated Anodyne CCC(C)(C)n1nnnc1[C@H](c1ccc(O)c(OC)c1)N1CCc2ccccc2C1 ZINC000019499650 HH Annotated Anodyne CCC(C)(C)n1nnnc1[C@@H](c1ccc(O)c(OC)c1)N1CCc2ccccc2C1 ZINC000019499651 HH Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000194864987 HH Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000194865005 HH Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000194865219 HH Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000194865234 HH Annotated Anodyne COc1cc([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)ccc1O ZINC000019550004 HH Annotated Anodyne COc1cc([C@@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)ccc1O ZINC000019550006 HH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000019727301 HH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000019727303 HH Annotated Mild CC(C)Cc1ccc(C(=O)N2CCOc3ccc(CN4CCOCC4)cc3C2)cc1 ZINC000019836884 HH Annotated Anodyne CCn1ccnc1CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 ZINC000019956692 HH Annotated Anodyne CC[C@@H]1C[N+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@@H]1[C@@H]3[C@H]5O ZINC000195037261 HH Annotated Bother CC[C@H]1C[N+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@@H]1[C@@H]3[C@H]5O ZINC000195037278 HH Annotated Bother CCOCCO/N=C/[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000195054496 HH Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H]4OCC[C@H]24)[C@]13C(=O)O ZINC000195058753 HH Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H]4OCC[C@H]24)[C@]13C(=O)O ZINC000195058769 HH Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H]4OCC[C@H]24)[C@]13C(=O)O ZINC000195058781 HH Annotated Mild CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccccc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000195114711 HH Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccccc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000195114726 HH Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccccc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000195114736 HH Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccccc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000195114748 HH Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@@H]1C(=O)OCCC(C)(C)C ZINC000195144016 HH Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@@H]1C(=O)OCCC(C)(C)C ZINC000195144033 HH Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCCC(C)(C)C ZINC000195144044 HH Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCCC(C)(C)C ZINC000195144055 HH Annotated Anodyne Cc1cc(Cl)ccc1B(OC(=O)c1ncccc1O)c1ccc(Cl)cc1C ZINC000195158271 HH Annotated Anodyne C[C@H]1/C(=N/N=C2\NC(=O)CS2)C[C@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1 ZINC000195180746 HH Annotated Mild C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1 ZINC000195180757 HH Annotated Mild CC[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000195196477 HH Annotated Anodyne CC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000195196485 HH Annotated Anodyne C=CC/N=C1\SCCCCN1N1C(=O)[C@@H]2[C@@H]3C[C@@H](C(C)C)[C@@H](C=C3C)[C@H]2C1=O ZINC000195226949 HH Annotated Mild C=CC/N=C1\SCCCCN1N1C(=O)[C@@H]2[C@@H]3C[C@H](C(C)C)[C@@H](C=C3C)[C@H]2C1=O ZINC000195226961 HH Annotated Mild CCCC[C@H]1C(=O)O[C@H]2O[C@]3(CCC(=O)OCC)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 ZINC000195241249 HH Annotated Reactive Cc1ccc(C2=NN[C@@H]3C=C[C@@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@H]4N23)cc1 ZINC000195357079 HH Annotated Anodyne Cc1ccc(C2=NN[C@H]3C=C[C@@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@H]4N23)cc1 ZINC000195357088 HH Annotated Anodyne COC1=C[C@@H]2CC[C@@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@@H]2C=C1 ZINC000195368422 HH Annotated Bother COC1=C[C@@H]2CC[C@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@@H]2C=C1 ZINC000195368432 HH Annotated Bother COC1=C[C@H]2CC[C@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@@H]2C=C1 ZINC000195368438 HH Annotated Bother C=C1C[C@@H]2O[C@@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1O ZINC000195370478 HH Annotated Mild C=C1C[C@@H]2O[C@@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1O ZINC000195370486 HH Annotated Mild C=C1C[C@H]2O[C@@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1O ZINC000195370492 HH Annotated Mild C=C1C[C@H]2O[C@@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1O ZINC000195370499 HH Annotated Mild COc1ccc2c(c1)[C@@H]1NC(S)=N[C@@](C)(O2)[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000195373270 HH Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CC#N)C2)[C@]13C(=O)O ZINC000195379841 HH Annotated Mild COc1ccc([C@H]2c3ccc4cccnc4c3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 ZINC000195398140 HH Annotated Anodyne COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 ZINC000195398147 HH Annotated Anodyne Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@]13C[C@H]4C[C@H]1C[C@@H](C4)C[C@@H]23 ZINC000195412066 HH Annotated Anodyne Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@]13C[C@H]4C[C@H]1C[C@H](C[C@H]23)C4 ZINC000195412075 HH Annotated Anodyne Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@]13C[C@@H]4C[C@@H](C[C@@H]1C4)C[C@@H]23 ZINC000195412081 HH Annotated Anodyne O=S1(=O)[C@@H]2C[C@@H]3O[C@@]2(C[C@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000195434643 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N/N=C2/[C@@H]3[C@@H](CC2(C)C)[C@@]2(C)CCC[C@@]3(C)[C@@H]2O)cc1 ZINC000195467424 HH Annotated Mild Cc1ccc(S(=O)(=O)N/N=C2/[C@H]3[C@@H](CC2(C)C)[C@@]2(C)CCC[C@@]3(C)[C@@H]2O)cc1 ZINC000195467428 HH Annotated Mild Cc1ccc(S(=O)(=O)N/N=C2/[C@@H]3[C@H](CC2(C)C)[C@@]2(C)CCC[C@@]3(C)[C@@H]2O)cc1 ZINC000195467433 HH Annotated Mild Cc1ccc(S(=O)(=O)N/N=C2/[C@H]3[C@H](CC2(C)C)[C@@]2(C)CCC[C@@]3(C)[C@@H]2O)cc1 ZINC000195467437 HH Annotated Mild COc1ccc2c(c1)CO[C@H]([C@@H](O)CO)[C@H]2/C=C\C#Cc1ccc(C(C)(C)C)cc1 ZINC000195470784 HH Annotated Mild COc1ccc2c(c1)CO[C@H]([C@@H](O)CO)[C@H]2/C=C/C#Cc1ccc(C(C)(C)C)cc1 ZINC000195470790 HH Annotated Mild C=C(C)[C@@H]1C[C@@H]2C(C)=C(OC(C)=O)[C@@H]1n1c(=O)c3cc4ccccc4cc3c(=O)n12 ZINC000195484685 HH Annotated Mild CO[C@H]1[C@@H]2c3cc4c(cc3C[C@](C#N)(c3ccccc32)N1C(=O)c1ccccc1)OCO4 ZINC000195501571 HH Annotated Mild CC(=O)OCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)O ZINC000195515091 HH Annotated Reactive CC(=O)OCC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)O ZINC000195515092 HH Annotated Reactive CCS[C@@]12C[C@@H]3c4cccc5c4[C@@H](CN5C(=O)c4ccccc4)C[C@@]3(O1)N(C)C2=O ZINC000195516190 HH Annotated Anodyne CCS[C@@]12C[C@H]3c4cccc5c4[C@@H](CN5C(=O)c4ccccc4)C[C@@]3(O1)N(C)C2=O ZINC000195516192 HH Annotated Anodyne CO[C@H]1[C@H]2c3ccccc3[C@@](C#N)(Cc3ccc4c(c32)OCO4)N1C(=O)c1ccccc1 ZINC000195524539 HH Annotated Mild C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)O ZINC000195766586 HH Annotated Reactive CCCOC(=O)[C@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 ZINC000195940696 HH Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 ZINC000195940698 HH Annotated Anodyne CCCOC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000195940714 HH Annotated Anodyne CCCC(=O)O[C@H]1C[C@]23[C@H](O)O[C@@H]4OC(=O)[C@H](CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12)[C@@H]43 ZINC000197361087 HH Annotated Anodyne CCCOC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000197676231 HH Annotated Anodyne CCCOC(=O)[C@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1ccccc12 ZINC000197962679 HH Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1ccccc12 ZINC000197962685 HH Annotated Anodyne CC1(C)C(=O)CC(=O)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000197977476 HH Annotated Reactive CCOC(=O)CN1C(=O)[C@]2(OC[C@@H]3Cc4ccccc4[C@H]3C=C2C)c2ccccc21 ZINC000198017470 HH Annotated Anodyne CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@H]12 ZINC000198042048 HH Annotated Anodyne C=CCC1=C[C@]2(O)C[C@H](C(C)(C)Oc3cc4c(cc3CC=C)OCO4)OC2=CC1=O ZINC000198351854 HH Annotated Mild O=C(O)CC/C=C\[C@@H](O)[C@H](O)CCCCCC=C(Br)Br ZINC000198355760 HH Annotated Anodyne Cn1c(=O)cc(OCCCC(=O)Nc2cc(C(F)(F)F)ccn2)c2ccccc21 ZINC000198357288 HH Annotated Anodyne Cn1c(=O)cc(OCCCC(=O)Nc2cc(-c3ccncc3)ccn2)c2ccccc21 ZINC000198357412 HH Annotated Anodyne O=C(N1CCc2ccccc2C1)n1cc(C(O)(c2ccccc2)c2ccccc2)nn1 ZINC000198393546 HH Annotated Anodyne COc1cccc2c(=O)c3c(OC[C@@H]4CS4)cc(OC[C@@H]4CS4)cc3oc12 ZINC000198496295 HH Annotated Bother COc1cccc2c(=O)c3c(OC[C@H]4CS4)cc(OC[C@@H]4CS4)cc3oc12 ZINC000198496305 HH Annotated Bother COc1cccc2c(=O)c3c(OC[C@@H]4CS4)cc(OC[C@H]4CS4)cc3oc12 ZINC000198496318 HH Annotated Bother COc1cccc2c(=O)c3c(OC[C@H]4CS4)cc(OC[C@H]4CS4)cc3oc12 ZINC000198496330 HH Annotated Bother CO[C@@H]1OC(=O)C[C@]12CC[C@@]1(O2)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C ZINC000198536430 HH Annotated Anodyne C/C=C/C1=CC2=CC3=C(C(=O)CCCCC)C(=O)O[C@@]3(C)[C@@](O)(CC(C)=O)C2=CO1 ZINC000198589061 HH Annotated Mild C=C[C@](C)(CO)c1c(O)cc2c(c1O)C(=O)C1=C(C2=O)[C@@H]2C=C(C)CC[C@@H]2C(C)(C)O1 ZINC000198647032 HH Annotated Mild CCCCCCC[C@@]1(O)CC2=C(CO1)C(=O)c1c(cc(OC)c(OC)c1O)C2=O ZINC000198767569 HH Annotated Mild O=C1C[C@H](c2ccc(O)c(O)c2)c2c(/C=C/c3ccc(O)c(O)c3)cc(O)cc2O1 ZINC000198806300 HH Annotated Clean CC1=CC(=O)[C@H]2C(CO)=CC[C@H]3[C@@H]([C@@H](C)/C=C\[C@H](O)C(C)(C)O)CC[C@]3(C)C[C@H]12 ZINC000198877797 HH Annotated Mild CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccc(F)cc3)c2C(=O)O)CO1 ZINC000199133062 HH Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC2CCCC2)CC(C(=O)N2CCCCCC2)=C1C ZINC000199200705 HH Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC2CCCC2)CC(C(=O)N2CCCCCC2)=C1C ZINC000199200719 HH Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2ccccc2)C1=O ZINC000199205793 HH Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 ZINC000199206861 HH Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1cccnc1 ZINC000199206877 HH Annotated Anodyne COc1ccc(NC(=O)[C@@H]2c3ccccc3OCC(=O)N2CCc2ccccc2)cc1 ZINC000199207130 HH Annotated Anodyne COc1ccc(NC(=O)[C@H]2c3ccccc3OCC(=O)N2CCc2ccccc2)cc1 ZINC000199207147 HH Annotated Anodyne C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000199213982 HH Annotated Anodyne C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000199214000 HH Annotated Anodyne CCCc1cn(C[C@@H](C)n2c(=O)c3ccccc3n2Cc2cc(C(C)C)no2)nn1 ZINC000199229310 HH Annotated Anodyne CCCc1cn(C[C@H](C)n2c(=O)c3ccccc3n2Cc2cc(C(C)C)no2)nn1 ZINC000199229329 HH Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@@H](C)Cn2cc(C3CC3)nn2)on1 ZINC000199229498 HH Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@H](C)Cn2cc(C3CC3)nn2)on1 ZINC000199229516 HH Annotated Anodyne CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3F)c2C(=O)O)CO1 ZINC000199229868 HH Annotated Anodyne O=c1c2c(n3nnnc3n1Cc1ccccc1)-c1cc(F)ccc1CC21CCCCC1 ZINC000199230186 HH Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccncc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000199234665 HH Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccncc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000199234681 HH Annotated Anodyne Cc1cnc(-c2nc3ccccc3n2[C@H](C(=O)NC(C)(C)C)c2ccncc2)cn1 ZINC000199235870 HH Annotated Anodyne Cc1cnc(-c2nc3ccccc3n2[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cn1 ZINC000199235884 HH Annotated Anodyne Brc1cccc(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)n1 ZINC000199271274 HH Annotated Anodyne CC(=O)N1CCN(c2ccc(N3CCN(Cc4ccccc4)[C@@H](C)C3)c(C)c2)[C@H](C)C1 ZINC000199271878 HH Annotated Anodyne CC(=O)N1CCN(c2ccc(N3CCN(Cc4ccccc4)[C@@H](C)C3)c(C)c2)[C@@H](C)C1 ZINC000199272062 HH Annotated Anodyne CC(=O)N1CCN(c2ccc(N3CCN(Cc4ccccc4)[C@H](C)C3)c(C)c2)[C@@H](C)C1 ZINC000199272083 HH Annotated Anodyne CC(=O)N1CCN(c2ccc(N3CCN(Cc4ccccc4)[C@H](C)C3)c(C)c2)[C@H](C)C1 ZINC000199272285 HH Annotated Anodyne CN1OC[C@@H]2CN(C(=O)CCc3ccccc3)[C@H](c3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC000199387891 HH Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C\C)[C@@H]1[C@H]2OC(=O)C(C)C ZINC000199404733 HH Annotated Mild O=C(N[C@H](c1ccccc1F)[C@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000199485117 HH Annotated Anodyne O=C(N[C@@H](c1ccccc1F)[C@@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000199485134 HH Annotated Anodyne O=C(N[C@H](c1cccc(F)c1)[C@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000199485173 HH Annotated Anodyne O=C(N[C@@H](c1cccc(F)c1)[C@@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000199485189 HH Annotated Anodyne O=C(N[C@H](c1ccc(F)cc1)[C@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000199485213 HH Annotated Anodyne O=C(N[C@@H](c1ccc(F)cc1)[C@@H](O)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000199485227 HH Annotated Anodyne C=C(C)[C@@H](O)Cc1c2c(c(O)c3c1O[C@H](c1ccccc1)[C@@H](O)C3=O)C=CC(C)(C)O2 ZINC000199679154 HH Annotated Mild C=C(C)[C@H](O)Cc1c2c(c(O)c3c1O[C@H](c1ccccc1)[C@@H](O)C3=O)C=CC(C)(C)O2 ZINC000199679170 HH Annotated Mild CC(C)(C)c1ccc(C#C[C@@H]2C=C[C@@H](O)[C@@H](COC(=O)NCc3ccccc3)O2)cc1 ZINC000199721092 HH Annotated Mild CC(=O)O[C@@H]1C=C[C@@H](C#Cc2ccc(C(C)(C)C)cc2)O[C@@H]1COC(=O)NC(C)C ZINC000199721149 HH Annotated Mild COc1ccccc1-c1cccc2c3c([nH]c12)[C@@H]1C[C@H]2[C@@H](C(=O)N1CC3)[C@H](C)ON2C ZINC000199737729 HH Annotated Anodyne COc1ccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H]3[C@@H](C(=O)N2CC4)[C@H](C)ON3C)cc1 ZINC000199737951 HH Annotated Anodyne COc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H]3[C@@H](C(=O)N2CC4)[C@H](C)ON3C)c1 ZINC000199737983 HH Annotated Anodyne COc1ccccc1-c1cccc2[nH]c3c(c12)CCN1C(=O)[C@H]2[C@H](C)ON(C)[C@H]2C[C@@H]31 ZINC000199739463 HH Annotated Anodyne COc1ccc(-c2cccc3[nH]c4c(c23)CCN2C(=O)[C@H]3[C@H](C)ON(C)[C@H]3C[C@@H]42)cc1 ZINC000199739504 HH Annotated Anodyne CN1C(=O)[C@@]2(C3=C(CCCC3=O)OC3=C2C(=O)OC2(CCCCC2)C3)c2ccccc21 ZINC000199741676 HH Annotated Mild CCn1c2c(n(C(C)=O)c1=O)C=C(C(=O)N1CCCC1)[C@H](C)C(c1ccccc1)=C2 ZINC000199741972 HH Annotated Anodyne CCn1c2c(n(C(C)=O)c1=O)C=C(C(=O)N1CCCC1)[C@@H](C)C(c1ccccc1)=C2 ZINC000199741989 HH Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(O)c1 ZINC000199800149 HH Annotated Reactive in-man endogenous C=C1C(=O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O[C@H]([C@@H]1O)[C@H]1C(=C)CC[C@H](C(C)C)[C@H]12 ZINC000199914896 HH Annotated Mild C=C1[C@H](O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O[C@H]([C@@H]1O)[C@H]1C(=C)CC[C@H](C(C)C)[C@H]12 ZINC000199914925 HH Annotated Mild Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCC2CCN(C)CC2)cc1 ZINC000199941573 HH Annotated Anodyne Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCCC2CCNCC2)cc1 ZINC000199942280 HH Annotated Anodyne COC(=O)c1c(O)cccc1OC/C=C/c1ccc(F)c(-c2cc(C(=O)O)no2)c1 ZINC000002047375 HH Annotated Anodyne in-vivo COc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)o2)cc1Cl ZINC000002067846 HH Annotated Clean C[C@@H](/C(O)=N/C1CCCCC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002111007 HH Annotated Mild CC(C)C[C@@H](/C(O)=N/C1CC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002130036 HH Annotated Mild Cc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)c1ccccc1 ZINC000002166373 HH Annotated Reactive Cc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)C(=O)c1ccccc1 ZINC000002166410 HH Annotated Reactive Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2cccs2)no1 ZINC000002247504 HH Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)no1 ZINC000002247505 HH Annotated Anodyne CCO/C(C)=N\n1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)c(C)nc21 ZINC000002255942 HH Annotated Mild O=C1Nc2ccc(Br)cc2/C1=C1\SC(=O)N(c2ccc(O)cc2)C1=O ZINC000002283386 HH Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2cccc3ccccc23)s1 ZINC000002315333 HH Annotated Anodyne Cc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2cccc3ccccc23)s1 ZINC000002315334 HH Annotated Anodyne COc1cccc([C@H]2[C@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000002352597 HH Annotated Anodyne COc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000002352601 HH Annotated Anodyne CC(C)[C@H]1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N ZINC000002364233 HH Annotated Reactive CC(C)[C@@H]1CC(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C1C#N ZINC000002364234 HH Annotated Reactive O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NNc1cccc2ccccc12 ZINC000002368614 HH Annotated Clean COc1cc2c(cc1OC)[C@H](C(=O)N(C)C1CCCCC1)[C@H]1CCCCN1C2=O ZINC000002456108 HH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N(C)C1CCCCC1)[C@H]1CCCCN1C2=O ZINC000002456110 HH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N(C)C1CCCCC1)[C@@H]1CCCCN1C2=O ZINC000002456112 HH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N(C)C1CCCCC1)[C@@H]1CCCCN1C2=O ZINC000002456114 HH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCCC1=CCCCC1)[C@@H]1CCCCN1C2=O ZINC000002456130 HH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCCC1=CCCCC1)[C@@H]1CCCCN1C2=O ZINC000002456132 HH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCCC1=CCCCC1)[C@H]1CCCCN1C2=O ZINC000002456134 HH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCCC1=CCCCC1)[C@H]1CCCCN1C2=O ZINC000002456136 HH Annotated Anodyne CCc1ccc(NS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc1 ZINC000002456164 HH Annotated Anodyne C[C@@H]1CCCN([C@@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000002457506 HH Annotated Bother CC[C@@H](C)NC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000002457845 HH Annotated Anodyne CC[C@H](C)NC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000002457847 HH Annotated Anodyne CC[C@@H](C)NC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000002457849 HH Annotated Anodyne CC[C@H](C)NC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000002457851 HH Annotated Anodyne CCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)[C@@H](C)C2 ZINC000002459344 HH Annotated Anodyne CCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)[C@H](C)C2 ZINC000002459345 HH Annotated Anodyne CCN(CC)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1 ZINC000002459435 HH Annotated Anodyne CCN(CC)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccs1 ZINC000002459436 HH Annotated Anodyne CCN(CC)C(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000002459437 HH Annotated Anodyne CCN(CC)C(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000002459438 HH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCCCC1)[C@H](c1cccs1)N(C)C2=O ZINC000002459439 HH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCCC1)[C@H](c1cccs1)N(C)C2=O ZINC000002459440 HH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCCCC1)[C@@H](c1cccs1)N(C)C2=O ZINC000002459441 HH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCCC1)[C@@H](c1cccs1)N(C)C2=O ZINC000002459442 HH Annotated Anodyne Cc1c(C(=O)NCc2ccco2)oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12 ZINC000002459741 HH Annotated Anodyne Cc1c(C(=O)NCCC(C)C)oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12 ZINC000002459742 HH Annotated Anodyne CCN(CC)C(=O)c1oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1C ZINC000002459789 HH Annotated Anodyne CCN(CC)C(=O)c1oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1C ZINC000002459791 HH Annotated Anodyne CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000002465399 HH Annotated Anodyne O=C(CCS(=O)(=O)c1ccc(Br)s1)N1CCCc2ccccc21 ZINC000002465401 HH Annotated Anodyne CCCN(CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000002466672 HH Annotated Anodyne CCCN(CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000002466674 HH Annotated Anodyne CCCN(CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000002466676 HH Annotated Anodyne CCCN(CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000002466677 HH Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccco2)[C@@H]1c1cn(C)c2ccccc12 ZINC000002468678 HH Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccco2)[C@H]1c1cn(C)c2ccccc12 ZINC000002468680 HH Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccco2)[C@@H]1c1cn(C)c2ccccc12 ZINC000002468681 HH Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccco2)[C@H]1c1cn(C)c2ccccc12 ZINC000002468683 HH Annotated Anodyne O=C(NCCCN1CCCC1=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 ZINC000002478445 HH Annotated Anodyne COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NCCOCCO)cc1 ZINC000002480909 HH Annotated Anodyne O=C(NCCO)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482170 HH Annotated Bother O=C(NCCO)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002483120 HH Annotated Anodyne COCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1OC ZINC000002483862 HH Annotated Anodyne COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)cc1OC ZINC000002484638 HH Annotated Anodyne COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)cc1OC ZINC000002484745 HH Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002487169 HH Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002487171 HH Annotated Anodyne COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002487545 HH Annotated Anodyne COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002487550 HH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NC)CC(C)(C)O2 ZINC000002487701 HH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NC)CC(C)(C)O2 ZINC000002487704 HH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NC)CC(C)(C)O2 ZINC000002487706 HH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NC)CC(C)(C)O2 ZINC000002487708 HH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000002487713 HH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000002487715 HH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000002487717 HH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000002487720 HH Annotated Anodyne CC1(C)C[C@@H](NCCCN2CCCC2=O)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000002488116 HH Annotated Anodyne CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000002488117 HH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CC(C)(C)O2 ZINC000002488841 HH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OC)cc1)CC(C)(C)O2 ZINC000002488846 HH Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002489220 HH Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002489221 HH Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002489225 HH Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002489226 HH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCCCC1)O2 ZINC000002489272 HH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC1(CCCCC1)O2 ZINC000002489274 HH Annotated Anodyne COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002489292 HH Annotated Anodyne COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002489294 HH Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002489295 HH Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002489296 HH Annotated Anodyne COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002489330 HH Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002489333 HH Annotated Anodyne COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002489335 HH Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002489337 HH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000002489484 HH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000002489486 HH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000002489487 HH Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000002489489 HH Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000002489560 HH Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2 ZINC000002489561 HH Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491939 HH Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491941 HH Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491945 HH Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491946 HH Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491949 HH Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491950 HH Annotated Anodyne C[C@H]([C@@H](O)c1ccccc1)N(C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000002499496 HH Annotated Anodyne COc1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3C3CCCC3)CC2)cc1 ZINC000020098607 HH Annotated Clean COc1ccc(N2CCN([C@H](c3cccs3)c3nnnn3C3CCCC3)CC2)cc1 ZINC000020098609 HH Annotated Clean CC(C)(C)n1nnnc1[C@H](c1cccs1)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000020098754 HH Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1cccs1)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000020098756 HH Annotated Anodyne O=C(Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O)NCCC1=CCCCC1 ZINC000020105428 HH Annotated Anodyne C[C@@H]1CN(Cc2cn3c(-c4cccc(Br)c4)nnc3s2)C[C@@H](C)O1 ZINC000020151776 HH Annotated Anodyne C[C@H]1CN(Cc2cn3c(-c4cccc(Br)c4)nnc3s2)C[C@@H](C)O1 ZINC000020151778 HH Annotated Anodyne C[C@H]1CN(Cc2cn3c(-c4cccc(Br)c4)nnc3s2)C[C@H](C)O1 ZINC000020151781 HH Annotated Anodyne COc1cccc(-n2cc(CN(C)Cc3nc(Cc4cccc(F)c4)no3)cn2)c1 ZINC000020204339 HH Annotated Anodyne CCOc1ccc2nc(CN3CCN(Cc4ccsc4)[C@@H](CCO)C3)ccc2c1 ZINC000020295842 HH Annotated Anodyne O=c1c2cc(Cl)cc(Cl)c2nc(CN2CCOCC2)n1-c1ccccc1F ZINC000020351512 HH Annotated Anodyne CC1CCN(c2c(NCc3ccc(C(=O)N(C)C4CCCCC4)cc3)c(=O)c2=O)CC1 ZINC000020414692 HH Annotated Anodyne Cn1nnc2c(NCC(=O)C(C)(C)C)nc(Cc3ccc(Cl)cc3Cl)nc21 ZINC000020444117 HH Annotated Anodyne Cc1ccccc1CN1CCCC[C@H](NC(=O)c2cc(-c3ccccc3)no2)C1=O ZINC000200050993 HH Annotated Anodyne Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2cc(-c3ccccc3)no2)C1=O ZINC000200051023 HH Annotated Anodyne CCCOC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCCC(C)(C)C ZINC000200062333 HH Annotated Anodyne C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)C[C@H](O)C(=C)[C@H]23)[C@](C)(OC(=O)CCC)CCC1=O ZINC000200063134 HH Annotated Mild CCCOC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccccc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000200071963 HH Annotated Anodyne O=C1c2c(nc3ccccn23)NC(c2ccc([N+](=O)[O-])cc2)=N[C@H]1Cc1ccccc1 ZINC000200213034 HH Annotated Bother CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12c1cccc(F)c1OC[C@H]2CCN ZINC000200379080 HH Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)C/C=C/[C@](C)(OO)CC[C@H]2OC(C)=O ZINC000200462116 HH Annotated Reactive C=CCNC(=O)CN(C(=O)Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000201460801 HH Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000201479370 HH Annotated Mild COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1c(C)noc1C ZINC000203325994 HH Annotated Anodyne COC(=O)c1ccccc1N/N=C1\c2cccc(O)c2C(=O)c2c1cc(C)nc2C ZINC000203397464 HH Annotated Mild COC(=O)c1cc(Br)cnc1N1CC[C@H](NC2CCCCC2)[C@H](C)C1 ZINC000203454971 HH Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCCC(C)C)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464761 HH Annotated Mild C[C@]1(c2nnnn2-c2ccc(F)cc2)CCCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000203465271 HH Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc(F)cc2)CCCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000203465277 HH Annotated Anodyne COc1ccc(OC)c(CN2C(=O)CCCC[C@]2(C)c2nnnn2C2CCCC2)c1 ZINC000203465542 HH Annotated Anodyne COc1ccc(OC)c(CN2C(=O)CCCC[C@@]2(C)c2nnnn2C2CCCC2)c1 ZINC000203465550 HH Annotated Anodyne CC(C)n1nnnc1[C@]1(C)CCSCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000203465826 HH Annotated Anodyne CC(C)n1nnnc1[C@@]1(C)CCSCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000203465830 HH Annotated Anodyne CN[C@H]1C[C@H]2c3[nH]c4cccc(-c5cccc(C)c5)c4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000203467436 HH Annotated Anodyne CN[C@H]1C[C@H]2c3[nH]c4c(-c5cccc(C)c5)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000203468627 HH Annotated Anodyne CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)NCC1CCCCC1)C2 ZINC000203472458 HH Annotated Anodyne Cc1ccccc1N(C)C(=O)CN1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000203474774 HH Annotated Anodyne CC(C)C[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1 ZINC000203736837 HH Annotated Anodyne CC(C)[C@H](CO)NCc1nc(N2CCc3ccc(C(F)(F)F)cc3C2)ccc1F ZINC000204407730 HH Annotated Anodyne CC(C)[C@H](CO)NCc1nc(N2CCc3c(cccc3C(F)(F)F)C2)ccc1F ZINC000204412562 HH Annotated Anodyne CC1CCN(C(=O)c2cccc(-c3ccc(F)c(CN[C@@H](CO)C(C)C)n3)c2)CC1 ZINC000204420089 HH Annotated Anodyne O=c1[nH]c2ccc(O)c(-c3ccc(CN4CC[C@H](O)C4)c(F)c3)c2c2ccsc12 ZINC000204568325 HH Annotated Anodyne O=c1[nH]c2ccc(O)c(-c3ccc(CN4CC[C@@H](O)C4)c(F)c3)c2c2ccsc12 ZINC000204568344 HH Annotated Anodyne Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1 ZINC000204640691 HH Annotated Anodyne C[C@@H](NS(C)(=O)=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000204647156 HH Annotated Anodyne C[C@H](NS(C)(=O)=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000204666447 HH Annotated Anodyne Cc1cc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)ccc1NS(C)(=O)=O ZINC000204673543 HH Annotated Anodyne N[C@H]1C[C@@H](N2Cc3nc(C(F)(F)F)[nH]c3C2)CS[C@@H]1c1cc(F)ccc1F ZINC000204682664 HH Annotated Anodyne N[C@H]1C[C@@H](N2Cc3nc(C(F)(F)F)[nH]c3C2)CS[C@H]1c1cc(F)ccc1F ZINC000204682681 HH Annotated Anodyne CN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000020508500 HH Annotated Anodyne CN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000020508503 HH Annotated Anodyne CN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000020508506 HH Annotated Anodyne CN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000020508510 HH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 ZINC000020561812 HH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)cc1 ZINC000020561815 HH Annotated Mild COc1ccc(CNS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)cc1 ZINC000020580862 HH Annotated Anodyne OCC[C@H]1CN(C2CCN(c3ccccc3)CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000020600937 HH Annotated Anodyne O=C(c1cncc(-c2cccc(-c3ccn(Cc4cccnc4)n3)c2)n1)N1CCCC1 ZINC000020995253 HH Annotated Anodyne N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)c3ccno3)c2n1 ZINC000205097979 HH Annotated Mild O=C(NCc1ccccc1-c1ccc(F)cc1)c1ccn(CC(F)(F)F)c(=O)c1O ZINC000205153181 HH Annotated Anodyne O=C1COCc2ccc(-c3ccc4ccccc4c3)cc2N1CCN1CCOCC1 ZINC000205207426 HH Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCN(Cc3ccccc3)C2=O)s1 ZINC000205208908 HH Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2ccc3c(c2)N(Cc2ccccc2)C(=O)COC3)c1 ZINC000205210616 HH Annotated Anodyne CC(C)CNC(=O)C(C)(C)n1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cn1 ZINC000205210848 HH Annotated Anodyne O=C1COCc2ccc(-c3csc4ccccc34)cc2N1CCN1CCOCC1 ZINC000205212618 HH Annotated Anodyne CNC(=O)c1cccc(NC(=O)C[C@]2(C)N=C(c3ccc(C(C)C)cc3)N(C)O2)c1 ZINC000205212815 HH Annotated Anodyne CNC(=O)c1cccc(NC(=O)C[C@@]2(C)N=C(c3ccc(C(C)C)cc3)N(C)O2)c1 ZINC000205212829 HH Annotated Anodyne COc1cc(NC(=O)C[C@@]2(C)N=C(c3ccccc3Cl)N(C)O2)cc(OC)c1 ZINC000205213112 HH Annotated Anodyne COc1cc(NC(=O)C[C@]2(C)N=C(c3ccccc3Cl)N(C)O2)cc(OC)c1 ZINC000205213125 HH Annotated Anodyne COc1cccc(C2=N[C@](C)(CC(=O)NCc3ccc(F)c(Cl)c3)ON2C)c1 ZINC000205213219 HH Annotated Anodyne COc1cccc(C2=N[C@@](C)(CC(=O)NCc3ccc(F)c(Cl)c3)ON2C)c1 ZINC000205213226 HH Annotated Anodyne C=C(C)C[C@]1(O)C(=O)N(Cc2cn(-c3ccc(OC)cc3)nn2)c2cccc(Cl)c21 ZINC000205213703 HH Annotated Mild CC(C)c1ccc(NC(=O)C2=CN3CCN(Cc4ccccc4)C(=O)N=C3O2)cc1 ZINC000205213884 HH Annotated Anodyne Cc1ccccc1CN1CCN2C=C(C(=O)Nc3cccc(Cl)c3)OC2=NC1=O ZINC000205213943 HH Annotated Anodyne COc1cc(NC(=O)C(C)(C)n2cc(-c3ccc4c(c3)OCCO4)cn2)cc(OC)c1 ZINC000205214642 HH Annotated Anodyne CC(C)(C(=O)NCc1cc(F)ccc1F)n1cc(-c2ccc3c(c2)OCCO3)cn1 ZINC000205214944 HH Annotated Anodyne NC(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2cc(F)cc(F)c2)c1 ZINC000205215213 HH Annotated Anodyne NC(=O)c1cccc(-c2ccc3c(c2)N(Cc2cc(F)cc(F)c2)C(=O)COC3)c1 ZINC000205215235 HH Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)c1 ZINC000205217020 HH Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1 ZINC000205217042 HH Annotated Anodyne COc1cccc(CN2C(=O)COCc3ccc(-c4cccc(C(N)=O)c4)cc32)c1 ZINC000205217616 HH Annotated Anodyne Cc1noc(C)c1CN1CCN2C=C(C(=O)Nc3ccc(C(C)C)cc3)OC2=NC1=O ZINC000205219743 HH Annotated Anodyne O=C1COCc2ccc(-c3cccc(C(F)(F)F)c3)cc2N1CCN1CCOCC1 ZINC000205221137 HH Annotated Anodyne COc1cc(NC(=O)C[C@@]2(C)N=C(c3cccc(Cl)c3)N(C)O2)cc(OC)c1 ZINC000205222580 HH Annotated Anodyne COc1cc(NC(=O)C[C@]2(C)N=C(c3cccc(Cl)c3)N(C)O2)cc(OC)c1 ZINC000205222592 HH Annotated Anodyne CC(C)c1ccc(NC(=O)C2=COC3=NC(=O)N(Cc4ccccc4)CCN23)cc1 ZINC000205225640 HH Annotated Anodyne O=C(Nc1ccc(F)c(Cl)c1)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 ZINC000205227233 HH Annotated Anodyne COc1ccccc1CNC(=O)C(C)(C)n1cc(-c2ccc(OC)c(OC)c2)cn1 ZINC000205228004 HH Annotated Anodyne COc1ccc(-c2cnn(C(C)(C)C(=O)NCc3cc(F)ccc3F)c2)cc1OC ZINC000205228097 HH Annotated Anodyne CN1O[C@@](C)(CC(=O)Nc2ccccc2F)N=C1c1cccc(Br)c1 ZINC000205228737 HH Annotated Anodyne CN1O[C@](C)(CC(=O)Nc2ccccc2F)N=C1c1cccc(Br)c1 ZINC000205228751 HH Annotated Anodyne O=S(=O)(c1cccc(Oc2ccccc2)c1)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000205229284 HH Annotated Anodyne O=S(=O)(c1cccc(Oc2ccccc2)c1)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000205229303 HH Annotated Anodyne O=S(=O)(c1cccc(Oc2ccccc2)c1)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 ZINC000205229322 HH Annotated Anodyne O=S(=O)(c1cccc(Oc2ccccc2)c1)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 ZINC000205229339 HH Annotated Anodyne CC(=O)Nc1cccc(NC(=O)C[C@]2(C)N=C(c3cccc(Cl)c3)N(C)O2)c1 ZINC000205229777 HH Annotated Anodyne CC(=O)Nc1cccc(NC(=O)C[C@@]2(C)N=C(c3cccc(Cl)c3)N(C)O2)c1 ZINC000205229794 HH Annotated Anodyne CCCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)cc1 ZINC000205232092 HH Annotated Anodyne CCCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 ZINC000205232113 HH Annotated Anodyne O=C(Nc1cccc(Cl)c1)C1=COC2=NC(=O)N(Cc3ccc(F)cc3)CCN12 ZINC000205232968 HH Annotated Anodyne O=C(c1nnc2n1CCN(Cc1ccc(-c3ccccc3)cc1)C2)N1CCCCC1 ZINC000205233016 HH Annotated Anodyne COc1ccc(NC(=O)C(C)(C)n2cc(-c3ccc4c(c3)OCCO4)cn2)c(OC)c1 ZINC000205233952 HH Annotated Anodyne Cc1noc(C)c1CN1CCN2C(C(=O)Nc3ccc(C(C)C)cc3)=COC2=NC1=O ZINC000205234682 HH Annotated Anodyne Cc1noc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 ZINC000205332557 HH Annotated Anodyne COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2cc(C)on2)cc1OC ZINC000205488481 HH Annotated Anodyne COc1c(Cl)c(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1Cl ZINC000205707692 HH Annotated Anodyne in-vitro COc1ccc(OC)c(NC(=O)O[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)c1 ZINC000205708200 HH Annotated Anodyne COc1ccc(CNC(=O)O[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)cc1OC ZINC000205711028 HH Annotated Anodyne COc1ccc(CNC(=O)O[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)cc1 ZINC000205711628 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000205769599 HH Annotated Anodyne C[C@](CCCCC(=O)O)(NCCc1ccc(O)cc1)c1nnnn1C1CCCCC1 ZINC000205857511 HH Annotated Anodyne C[C@@](CCCCC(=O)O)(NCCc1ccc(O)cc1)c1nnnn1C1CCCCC1 ZINC000205857529 HH Annotated Anodyne Cc1c(C(=O)Nc2cnn(C(C)(C)C(=O)NCc3ccco3)c2)oc2ccccc12 ZINC000206019351 HH Annotated Anodyne CC(=O)Oc1cccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)c1C ZINC000206023716 HH Annotated Anodyne CC(=O)Oc1cccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1C ZINC000206023735 HH Annotated Anodyne CC(=O)Oc1cccc(C(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)c1C ZINC000206023755 HH Annotated Anodyne CC(=O)Oc1cccc(C(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1C ZINC000206023771 HH Annotated Anodyne COc1ccc(S[C@]2(c3nc(C)no3)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206024775 HH Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(OC)cc2)c2c(F)cccc21 ZINC000206033456 HH Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(OC)cc2)c2c(F)cccc21 ZINC000206033479 HH Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(Cl)nc2)c2c(F)cccc21 ZINC000206035160 HH Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(Cl)nc2)c2c(F)cccc21 ZINC000206035180 HH Annotated Anodyne COc1cccc2c1N[C@]1(c3ccccc3)c3ccccc3-n3nncc3CN1C2=O ZINC000206036797 HH Annotated Anodyne COc1cccc2c1N[C@@]1(c3ccccc3)c3ccccc3-n3nncc3CN1C2=O ZINC000206036827 HH Annotated Anodyne CN1c2ccccc2[C@@]2(CCN=C2N2CCOC2=O)[C@H]1c1cn(C)c2ccccc12 ZINC000206037697 HH Annotated Anodyne O=C(N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1)c1cccnc1 ZINC000206040187 HH Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041442 HH Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041583 HH Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2cccs2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041995 HH Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)Cc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206042061 HH Annotated Anodyne C[C@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206042277 HH Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)c(C)c1 ZINC000206042546 HH Annotated Anodyne COC(=O)[C@]1(O)C[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N1c1ccc(F)cc1 ZINC000206047019 HH Annotated Anodyne COC(=O)[C@]1(O)C[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N1c1ccc(F)cc1 ZINC000206047057 HH Annotated Anodyne COc1ccc(N[C@@H]2C(c3ccc(OC)cc3)=Nc3ccccc3-n3nnnc32)cc1 ZINC000206052574 HH Annotated Anodyne COc1ccc(N[C@H]2C(c3ccc(OC)cc3)=Nc3ccccc3-n3nnnc32)cc1 ZINC000206052600 HH Annotated Anodyne Cc1cc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)nn1C(C)(C)C ZINC000206057867 HH Annotated Anodyne Cc1cc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)nn1C(C)(C)C ZINC000206057893 HH Annotated Anodyne Cc1cc(C(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)nn1C(C)(C)C ZINC000206057920 HH Annotated Anodyne Cc1cc(C(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)nn1C(C)(C)C ZINC000206057943 HH Annotated Anodyne CCCC[Sn](CCCC)(CCCC)c1cnnn1COC ZINC000206061228 HH Annotated Anodyne CN(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br ZINC000206188897 HH Annotated Mild CO[P@](=O)(c1cc(C)cc(CCC#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 ZINC000206268212 HH Annotated Reactive in-vitro Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3Cl)C(=O)C[C@@H]12 ZINC000206390247 HH Annotated Anodyne Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3Cl)C(=O)C[C@H]12 ZINC000206390271 HH Annotated Anodyne CN1CN(Cc2ccccc2)CN(C[C@@H](O)/C=C\CO[Si](C)(C)C(C)(C)C)C1=O ZINC000206394211 HH Annotated Reactive CN1CN(Cc2ccccc2)CN(C[C@H](O)/C=C\CO[Si](C)(C)C(C)(C)C)C1=O ZINC000206394243 HH Annotated Reactive COc1cc(C(=O)O[C@H]2C=C(C)C(=O)C[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000206456621 HH Annotated Mild COc1cc(C(=O)O[C@@H]2C[C@@]3(C)O[C@H]3C[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000206461031 HH Annotated Anodyne COc1cc(C(=O)O[C@H]2C[C@@]3(C)O[C@H]3C[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000206461110 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(C2CC2)c1 ZINC000206993480 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OC2CCC(C(F)(F)F)CC2)cc1F ZINC000206993684 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)cc1F ZINC000207006496 HH Annotated Anodyne CC(=O)[C@@H]1C[C@]23C(=O)[C@](C)(C[C@@H]2C1(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C)C)C3=O ZINC000207046895 HH Annotated Anodyne C[C@@H]1CCCC[C@@H]1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1C1CC1 ZINC000207148775 HH Annotated Anodyne C[C@H]1CCCC[C@@H]1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1C1CC1 ZINC000207148820 HH Annotated Anodyne C[C@@H]1CCCC[C@H]1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1C1CC1 ZINC000207148863 HH Annotated Anodyne C[C@H]1CCCC[C@H]1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1C1CC1 ZINC000207148907 HH Annotated Anodyne CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(C#N)nc1 ZINC000207167522 HH Annotated Mild C/C=C/C[C@@]1(C)OC(c2c(C)cc3c(c2O)C(=O)c2c(O)cccc2C3=O)=CC1=O ZINC000207188193 HH Annotated Mild COc1ccc(C(=O)/N=c2\scc(-c3cc(OC)c(OC)c(OC)c3)n2C)cc1 ZINC000207463833 HH Annotated Anodyne C=C[C@H](OC(=O)/C(=C\C)COC(=O)/C(C)=C\C)c1cc(OC)c(OC)c(OC)c1 ZINC000207650346 HH Annotated Mild C=C(CCCC(C)=O)[C@H]1[C@H](CC(=O)OC)C([C@@H](O)CC=C(C)C)=CO[C@@H]1OC(C)=O ZINC000207682989 HH Annotated Mild CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1ccc(F)cc1 ZINC000207729693 HH Annotated Anodyne CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1ccccc1F ZINC000207729761 HH Annotated Anodyne COc1ccccc1C(=O)C(CSC(=S)N(C)C)CSC(=S)N(C)C ZINC000207734710 HH Annotated Anodyne CC(C)[C@@H]1CC(=O)N[C@H](n2nc(-c3ccco3)cc2NC(=O)CCC2CCCC2)N1 ZINC000209022866 HH Annotated Anodyne CC(C)[C@H]1CC(=O)N[C@H](n2nc(-c3ccco3)cc2NC(=O)CCC2CCCC2)N1 ZINC000209022898 HH Annotated Anodyne CC(C)[C@@H]1CC(=O)N[C@@H](n2nc(-c3ccco3)cc2NC(=O)CCC2CCCC2)N1 ZINC000209022931 HH Annotated Anodyne CC(C)[C@H]1CC(=O)N[C@@H](n2nc(-c3ccco3)cc2NC(=O)CCC2CCCC2)N1 ZINC000209022962 HH Annotated Anodyne O=C1N[C@H](c2ccccn2)CC[C@@H]1C(=O)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000209076006 HH Annotated Anodyne O=C1N[C@@H](c2ccccn2)CC[C@@H]1C(=O)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000209076035 HH Annotated Anodyne O=C1N[C@H](c2ccccn2)CC[C@H]1C(=O)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000209076069 HH Annotated Anodyne O=C1N[C@@H](c2ccccn2)CC[C@H]1C(=O)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000209076106 HH Annotated Anodyne CCN1CCN([C@@H](c2ccc(C)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098294 HH Annotated Anodyne aggregator CCN1CCN([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098298 HH Annotated Anodyne aggregator C=C1CC/C=C(\C)C[C@H](OC(=O)c2ccc(O)c(OC)c2)[C@H](C(C)C)[C@H](O)[C@H]1O ZINC000210799332 HH Annotated Mild N#Cc1cc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cc(Cl)cc2o1 ZINC000210942574 HH Annotated Mild N#Cc1cc2c(Oc3ccc(Cl)cc3OCCn3ccc(=O)[nH]c3=O)cccc2o1 ZINC000210949028 HH Annotated Mild COc1ccc(N2C(=O)C(Nc3ccc4c(c3)OCO4)=C[C@H]2c2cccnc2)cc1 ZINC000211058700 HH Annotated Anodyne COc1ccc(N2C(=O)C(Nc3ccc4c(c3)OCO4)=C[C@@H]2c2cccnc2)cc1 ZINC000211058730 HH Annotated Anodyne COc1ccc(C[C@@H]2C(=O)C[C@H]3CCN(Cc4nccn4C)[C@H]4CCC[C@@H]2[C@@H]43)cc1 ZINC000211062516 HH Annotated Anodyne O=C1C[C@@H](c2ccccc2)NCCCN(C(=O)/C=C/c2ccccc2)/C=C\CCN1 ZINC000211379047 HH Annotated Anodyne C=CC(C)(C)c1[nH]c2c3c(ccc2c1/C=C1/NC(=O)[C@H](C)NC1=O)OC(C)(C)C=C3 ZINC000211883650 HH Annotated Mild CN(Cc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC[C@H](c2ccccn2)NC1=O ZINC000214234469 HH Annotated Anodyne CN(Cc1ccccc1)c1ccccc1NC(=O)[C@H]1CC[C@H](c2ccccn2)NC1=O ZINC000214234525 HH Annotated Anodyne Fc1cccc(CN2CCc3nc(N4CCN(c5ccccc5)CC4)ncc3C2)c1F ZINC000021640364 HH Annotated Anodyne Cc1ccc(N(Cc2nc3nc(C)cc(O)n3n2)C(=O)c2ccccc2Cl)cc1 ZINC000021795974 HH Annotated Anodyne Cc1cc(O)n2nc(CN(C(=O)c3ccccc3C)c3ccc(Cl)cc3)nc2n1 ZINC000021796151 HH Annotated Anodyne CCOC(=O)/C=C\c1cc(/C=C\C(=O)OCC)cc([C@H](O)c2ccc(OC)cc2)c1 ZINC000215068452 HH Annotated Anodyne CCOC(=O)/C=C\c1cc(/C=C/C(=O)OCC)cc([C@H](O)c2ccc(OC)cc2)c1 ZINC000215068499 HH Annotated Anodyne COC[C@@H]1C=Cc2c(c3ccccc3n(C)c2=O)[C@H]1c1cc2c(cc1OC)OCO2 ZINC000215272937 HH Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccccc3)[C@H](O)[C@]12C ZINC000215448528 HH Annotated Anodyne COc1ccccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215516170 HH Annotated Anodyne COc1ncccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215516372 HH Annotated Anodyne CC1(C)[C@H]2CC[C@H](COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)[C@@H]1C2 ZINC000216198030 HH Annotated Anodyne C[C@H]1[C@H](Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)C[C@@H]2C[C@H]1C2(C)C ZINC000216198098 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(COC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216199649 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(COC2C3CC4CC(C3)CC2C4)cc1F ZINC000216199720 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(COC2C3CC4CC(C3)CC2C4)cc1F ZINC000216199791 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCC(F)(F)CC2)cc1F ZINC000216200458 HH Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCCCC2CCCCC2)cc1F ZINC000216201544 HH Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CCCCCC2)cc1F ZINC000216201650 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(COc2ccc3c(c2)CCCC3)cc1F ZINC000216204852 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2CCC(C(F)(F)F)CC2)cc1F ZINC000216239725 HH Annotated Anodyne CC1(OCc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)CCC(F)(F)CC1 ZINC000216239787 HH Annotated Anodyne CC1CCC(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CC1 ZINC000216246814 HH Annotated Anodyne CCS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCC3(CC2)CC3)cc1F ZINC000216247159 HH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OC2CCC(F)(F)CC2)cc1F ZINC000216258970 HH Annotated Anodyne CC1(C)CCC[C@H](Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)C1 ZINC000216259374 HH Annotated Anodyne CC1(C)CCC[C@@H](Oc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)C1 ZINC000216259423 HH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000216260204 HH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3C[C@@H]3C2)cc1F ZINC000216260292 HH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC2CCC(F)(F)CC2)cc1F ZINC000216261730 HH Annotated Anodyne N#CC1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CCCCC1 ZINC000216262058 HH Annotated Mild COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc[nH]c4)ccc3C)cnc2[nH]1 ZINC000217042536 HH Annotated Anodyne O=C(NCC1(c2cnc(C(F)(F)F)nc2)CCOCC1)c1c(F)cccc1Cl ZINC000217370582 HH Annotated Anodyne O=C(COc1ccc(Br)cc1)NCC(=S)Nc1c(F)cccc1F ZINC000217489557 HH Annotated Anodyne C[C@@H]1CN(C)CC[C@@H]1c1cc2c(cc1-c1ccccc1F)OCC1=NNC(=O)[C@@H](C)N12 ZINC000217491852 HH Annotated Anodyne in-vitro C[C@H]1CN(C)CC[C@H]1c1cc2c(cc1-c1ccccc1F)OCC1=NNC(=O)[C@@H](C)N12 ZINC000217640145 HH Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000218363680 HH Annotated Anodyne Cc1cnc(C(=O)N2CCC[C@@H](Nc3cnc(Cl)cn3)[C@@H]2C)c(-c2ncco2)c1 ZINC000218385125 HH Annotated Anodyne COc1c(F)cccc1C(=O)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000218548989 HH Annotated Anodyne Cc1noc(C)c1-c1ccc2c(c1)[C@@](c1ccsc1)(N1CCC[C@H](N)C1)C(=O)N2 ZINC000218550035 HH Annotated Anodyne Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccsc1)(N1CCC[C@H](N)C1)C(=O)N2 ZINC000218550101 HH Annotated Anodyne COc1ccccc1-c1nncc2cc(S(=O)(=O)Nc3ncc(F)s3)ccc12 ZINC000218622194 HH Annotated Anodyne CCCC(=O)N1CCC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000218975278 HH Annotated Anodyne CCCC(=O)N1CCC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000218975307 HH Annotated Anodyne CCCC(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000218978778 HH Annotated Anodyne CCN1CCc2c(nc(-n3c(CN)cc4ccccc43)nc2NCc2ccccc2)C1 ZINC000219007991 HH Annotated Anodyne COc1cccc2c(NCc3ccccc3)nc(-n3c(=O)n(C)c4ccccc43)nc12 ZINC000219011544 HH Annotated Anodyne COc1cccc2c(NCc3nccs3)nc(-n3c(N)nc4ccccc43)nc12 ZINC000219016676 HH Annotated Anodyne CCS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1 ZINC000219245980 HH Annotated Anodyne in-vitro N#C[C@@H](Cc1ccc(-c2ccc3ncsc3c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219295530 HH Annotated Mild N#C[C@H](Cc1ccc(-c2cnc(C3CC3)s2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219311947 HH Annotated Mild CN1CCN(c2nc(SCCc3ccccc3)c(C#N)c3c2COC(C)(C)C3)CC1 ZINC000219489093 HH Annotated Mild CC1(C)Cc2c(C#N)c(SCCc3ccccc3)nc(N3CCCNCC3)c2CO1 ZINC000219503292 HH Annotated Mild Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1cccc(C(F)(F)F)c1F)C2 ZINC000219539794 HH Annotated Anodyne Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1cccc(C(F)(F)F)c1F)C2 ZINC000219539871 HH Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nncn4c3)c2cn1)c1ccc(F)cc1 ZINC000219757754 HH Annotated Anodyne CCN(CC)C(=O)c1ccc([C@H](c2cccc3cccnc23)N2CCNCC2)cc1 ZINC000022453932 HH Annotated Anodyne C[C@@H]1Cc2cccc3c2N1C(=O)[C@H](N1CCN(Cc2ccc(Cl)cc2)CC1)CC3 ZINC000022454051 HH Annotated Anodyne OCCN1CCN(CCO[C@@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000022461016 HH Annotated Anodyne OCCN1CCN(CCO[C@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000022461021 HH Annotated Anodyne COc1ccccc1-c1nnc(SCCN2CCOCC2)n1-c1ccc(C)cc1 ZINC000022464030 HH Annotated Anodyne CN(C(=O)c1cn2c(-c3ccc(-c4ccn[nH]4)cc3)cnc2cn1)c1ccc(C#N)cc1 ZINC000220120576 HH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccc(F)cc1F ZINC000220136393 HH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cc(F)cc(F)c1 ZINC000220136692 HH Annotated Mild Cc1ccccc1CC1(O)CCN(CCNC(=O)Nc2ccnc3ccsc23)CC1 ZINC000220150733 HH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cccc(F)c1F ZINC000220156823 HH Annotated Mild Cc1ccccc1COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O ZINC000220169678 HH Annotated Anodyne Cc1ccccc1COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O ZINC000220169731 HH Annotated Anodyne COc1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)c1 ZINC000220184019 HH Annotated Anodyne COc1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)c1 ZINC000220184094 HH Annotated Anodyne COc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)cc1 ZINC000220189843 HH Annotated Anodyne COc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)cc1 ZINC000220189909 HH Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220220625 HH Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220220698 HH Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4CC4)c(C)c3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000220220786 HH Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1ccc3nnn(C)c3n1)C2=O ZINC000220281561 HH Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1ccc3nnn(C)c3n1)C2=O ZINC000220281621 HH Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4CC4)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000220381202 HH Annotated Anodyne Cn1cc(N2C(=O)c3c(cnn3C3CC3)[C@H]2c2ccc(Cl)cc2)cc(Cl)c1=O ZINC000220399765 HH Annotated Anodyne Cn1cc(N2C(=O)c3c(cnn3C3CC3)[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1=O ZINC000220399832 HH Annotated Anodyne Cn1cc(N2C(=O)c3nn(C4CC4)cc3[C@H]2c2ccc(Cl)cc2)cc(Cl)c1=O ZINC000220400086 HH Annotated Anodyne Cn1cc(N2C(=O)c3nn(C4CC4)cc3[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1=O ZINC000220400156 HH Annotated Anodyne CC1=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H]([C@H]2C(C)(C)[C@H]3CC[C@]2(C)O3)C1 ZINC000220558967 HH Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1 ZINC000220559212 HH Annotated Mild C=C(C)[C@@H](O)CC/C(C)=C/[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1 ZINC000220559274 HH Annotated Mild NC1=N[C@](CF)(c2cc(NCc3nn(C(F)F)cc3Cl)ccc2F)[C@H]2C[C@H]2O1 ZINC000220654526 HH Annotated Anodyne N#Cc1cnc2c(Nc3ccc(F)c([C@@]4(C(F)F)N=C(N)O[C@@H]5C[C@@H]54)c3)nccc2c1 ZINC000220654725 HH Annotated Mild O=C(c1cc(F)ccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 ZINC000220714995 HH Annotated Anodyne O=C(c1cc(F)ccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 ZINC000220715061 HH Annotated Anodyne Cc1coc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1 ZINC000220719111 HH Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(-c3cnc4ccccc4c3)ccc1OC1(CCC1)C21COC1 ZINC000220721669 HH Annotated Anodyne NC1=N[C@]2(CO1)c1cc(-c3cnc4ccccc4c3)ccc1OC1(CCC1)C21COC1 ZINC000220721737 HH Annotated Anodyne Cn1cc2c(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cccc2n1 ZINC000220765735 HH Annotated Anodyne O=[N+]([O-])c1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 ZINC000221035806 HH Annotated Anodyne O=C(c1cncc2ccccc12)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221049483 HH Annotated Anodyne N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@@H](O)C(F)(F)F)cc2)n1 ZINC000221091595 HH Annotated Mild CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ncc(Oc3cccnc3)cn2)n1 ZINC000221128613 HH Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ncc(Oc3cccnc3)cn2)n1 ZINC000221128674 HH Annotated Anodyne COc1ccc(-c2noc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)cc1 ZINC000221131720 HH Annotated Anodyne COc1ccc(-c2noc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)n2)cc1 ZINC000221131770 HH Annotated Anodyne Oc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1 ZINC000221165724 HH Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1CC[C@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000221231590 HH Annotated Mild CC(C)(C)OC(=O)[C@H]1CC[C@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000221231651 HH Annotated Mild CC(C)(C)OC(=O)[C@@H]1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000221231704 HH Annotated Mild CC(C)(C)OC(=O)[C@H]1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000221231764 HH Annotated Mild COc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000221594305 HH Annotated Bother COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000221594366 HH Annotated Bother CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4occc4[nH]3)c2)c2cncnc21 ZINC000221757589 HH Annotated Anodyne CC(C)(N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221834352 HH Annotated Mild CC(C)(N[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)[C@@H](C#N)C1)C1CC1 ZINC000221834407 HH Annotated Mild CC(C)(C)OC(=O)[C@@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000221849062 HH Annotated Mild CC(C)(C)OC(=O)[C@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000221849115 HH Annotated Mild CC1CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)C1 ZINC000221857503 HH Annotated Mild CC1(N[C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)CC1 ZINC000221858422 HH Annotated Mild CC1(N[C@@H]2CC[C@@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)CC1 ZINC000221858475 HH Annotated Mild COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4C)cc23)CC1 ZINC000221886473 HH Annotated Anodyne Clc1cccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)c1Cl ZINC000222037646 HH Annotated Mild COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4[C@@H](C)C(F)(F)F)n2)CC1 ZINC000222728288 HH Annotated Anodyne COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4[C@H](C)C(F)(F)F)n2)CC1 ZINC000222728351 HH Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1CC[C@@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000222971840 HH Annotated Mild CC(C)(C)OC(=O)[C@H]1CC[C@@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1 ZINC000222971912 HH Annotated Mild CN(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222977352 HH Annotated Mild CN(C)[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222977409 HH Annotated Mild CC1(N[C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)CC1 ZINC000222978658 HH Annotated Mild CC1(N[C@H]2CC[C@@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)CC1 ZINC000222978720 HH Annotated Mild CN1CCC[C@@H]1CCNCC1CN(c2ncnc3scc(-c4ccccc4)c23)C1 ZINC000223011984 HH Annotated Anodyne CN1CCC[C@H]1CCNCC1CN(c2ncnc3scc(-c4ccccc4)c23)C1 ZINC000223012046 HH Annotated Anodyne COCOc1c(Br)ccc2oc(-c3cn4nc(OC)sc4n3)cc12 ZINC000223065426 HH Annotated Anodyne O=C(NCc1ccc([S@@](=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1 ZINC000223397066 HH Annotated Anodyne O=C(NCc1ccc([S@](=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1 ZINC000223397118 HH Annotated Anodyne CC1(C)C(=O)Nc2nc(-n3nc(Cc4ccccc4F)c4cc(F)ccc43)ncc21 ZINC000223427653 HH Annotated Anodyne Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ncc(Cl)cn4)cc3=O)cc21 ZINC000223478315 HH Annotated Anodyne N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCOC3)Cc1ccccc1 ZINC000223659614 HH Annotated Anodyne Fc1cnccc1-c1nc(N[C@@H]2CCNC2)c2scc(Nc3ccccn3)c2n1 ZINC000223661994 HH Annotated Anodyne Fc1cnccc1-c1nc(N[C@@H]2CCNC2)c2scc(Nc3cccnc3)c2n1 ZINC000223662996 HH Annotated Anodyne O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1cccs1 ZINC000223671490 HH Annotated Anodyne O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)N1CCCCC1 ZINC000223679214 HH Annotated Anodyne N#Cc1ccc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)nc1 ZINC000223684255 HH Annotated Anodyne N[C@H](CNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3)Cc1ccccc1 ZINC000223691506 HH Annotated Anodyne CCC(C)(C)C(=O)Nc1csc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc12 ZINC000223692429 HH Annotated Anodyne CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4cc(Cl)ccc34)nnc21 ZINC000223807827 HH Annotated Anodyne COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCCC3)c2n1 ZINC000224085950 HH Annotated Anodyne CN(C)CCNc1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 ZINC000224549307 HH Annotated Anodyne CS(=O)(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1 ZINC000224588488 HH Annotated Anodyne C/C1=C/C(=O)O[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@](O)([C@@H]1CSC(=O)N1)C2 ZINC000224623368 HH Annotated Anodyne Nc1nc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2F)cs1 ZINC000224710489 HH Annotated Anodyne Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3CNCCO)cc2F)cn1 ZINC000224717914 HH Annotated Anodyne CS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224721405 HH Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1F ZINC000224733176 HH Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2F)cn1 ZINC000224734457 HH Annotated Anodyne Cc1nc(N)ncc1-c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1F ZINC000224735714 HH Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1F ZINC000224743660 HH Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224748979 HH Annotated Anodyne C[C@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C[C@@H](C)O1 ZINC000224757893 HH Annotated Anodyne C[C@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C[C@H](C)O1 ZINC000224757942 HH Annotated Anodyne C[C@@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C[C@@H](C)O1 ZINC000224757987 HH Annotated Anodyne Cc1cccc(-c2ccc(-c3cnc(N)nc3)c(F)c2)c1S(=O)(=O)NC(C)(C)C ZINC000224758720 HH Annotated Anodyne O=C(c1ncccc1-c1ccc(-c2cnc3[nH]ccc3c2)c(F)c1)N1CCOCC1 ZINC000224762980 HH Annotated Anodyne CS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224783016 HH Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(N)s2)c(F)c1 ZINC000224788637 HH Annotated Anodyne C[C@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C[C@@H](C)O1 ZINC000224793456 HH Annotated Anodyne C[C@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C[C@H](C)O1 ZINC000224793504 HH Annotated Anodyne C[C@@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C[C@@H](C)O1 ZINC000224793543 HH Annotated Anodyne CC(C)CS(=O)(=O)N(C)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224793609 HH Annotated Anodyne Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3CN3CCOCC3)cn2)cn1 ZINC000224817515 HH Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1F ZINC000224818695 HH Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nn2)c(F)c1 ZINC000224825790 HH Annotated Anodyne CS(=O)(=O)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1 ZINC000224876509 HH Annotated Anodyne CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(=N)N)c1 ZINC000224884208 HH Annotated Anodyne COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000224884624 HH Annotated Anodyne CC(C)(C)c1ccc2oc(=O)n(C3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)c2c1 ZINC000022648301 HH Annotated Bother c1cnc2ccc([C@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@H]4C3)cc2c1 ZINC000022862962 HH Annotated Anodyne O=C(CN1CCN(Cc2ccccc2Cl)CC1)/N=N\c1c(O)[nH]c2ccccc12 ZINC000022867244 HH Annotated Clean OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3ccccc3F)CC2)CC1 ZINC000022926626 HH Annotated Anodyne OC1(c2ccc3c(c2)OCO3)CCC(N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000022926652 HH Annotated Anodyne C[C@H]1Cc2cccc3c2N1C(=O)[C@H](N1CCN(Cc2ccc(Cl)cc2)CC1)CC3 ZINC000022927106 HH Annotated Anodyne C[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](N1CCN(Cc2ccc(Cl)cc2)CC1)CC3 ZINC000022927111 HH Annotated Anodyne C[C@H]1Cc2cccc3c2N1C(=O)[C@@H](N1CCN(Cc2ccc(Cl)cc2)CC1)CC3 ZINC000022927114 HH Annotated Anodyne OCC[C@@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCN1C1CCCC1 ZINC000022932803 HH Annotated Anodyne OCC[C@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CCN1C1CCCC1 ZINC000022932806 HH Annotated Anodyne N#C[C@H](c1ccncc1)N1CCN(CCNC(c2ccccc2)c2ccccc2)CC1 ZINC000022935714 HH Annotated Mild N#C[C@@H](c1ccncc1)N1CCN(CCNC(c2ccccc2)c2ccccc2)CC1 ZINC000022935717 HH Annotated Mild CN1CCc2cc(-c3ccc([C@H](c4ccccc4)N4CCNCC4)cc3)ccc2C1=O ZINC000022939762 HH Annotated Anodyne CN1CCc2cc(-c3ccc([C@@H](c4ccccc4)N4CCNCC4)cc3)ccc2C1=O ZINC000022939765 HH Annotated Anodyne CCN(CC)C(=O)c1ccc([C@@H](c2cccc3cccnc23)N2CCNCC2)cc1 ZINC000022939818 HH Annotated Anodyne C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2cc(F)c(Cl)cc2F)CC1 ZINC000022941518 HH Annotated Anodyne Cc1cc(C#N)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225037288 HH Annotated Mild COc1ccc(C)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225039814 HH Annotated Anodyne COc1cccc(OC)c1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225043530 HH Annotated Anodyne COc1c(F)cccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225044400 HH Annotated Anodyne COc1ccc(OC)c(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c1 ZINC000225044889 HH Annotated Anodyne COc1ccccc1-c1ncc(O)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225049897 HH Annotated Anodyne COc1cc(C2(F)COC2)ccc1-c1nc(C)nc2cc(S(=O)(=O)Cl)ccc12 ZINC000225057394 HH Annotated Unstable CCOc1ccccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225057510 HH Annotated Anodyne COc1ccc(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c(OC)c1 ZINC000225061255 HH Annotated Anodyne COc1cc(F)ccc1-c1nncc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225062866 HH Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)NC(C)=O)ccc12 ZINC000225069052 HH Annotated Anodyne COc1cccc(F)c1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225077485 HH Annotated Anodyne COc1cc(F)c(C)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225079124 HH Annotated Anodyne COc1cc(F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225082342 HH Annotated Anodyne Cn1ccc2cccc(-c3nccc4cc(S(=O)(=O)Nc5ccncn5)ccc34)c21 ZINC000225083084 HH Annotated Anodyne COc1cc(F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225084682 HH Annotated Anodyne Cc1cc(C#N)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000225085827 HH Annotated Mild COc1ccc(F)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225086615 HH Annotated Anodyne COc1nc(C)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225087375 HH Annotated Anodyne Cc1cc(C#N)ccc1-c1ccnc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000225106263 HH Annotated Mild COc1ncc(C)cc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225106902 HH Annotated Anodyne COc1ncc(F)cc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225113520 HH Annotated Anodyne Cc1cc(Cl)ccc1-c1ncnc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000225113751 HH Annotated Anodyne Cc1cc(C#N)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225132411 HH Annotated Mild CC1(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CCC(F)(F)CC1 ZINC000225202556 HH Annotated Anodyne CC1(C)[C@H]2CC=C(COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)[C@@H]1C2 ZINC000225213103 HH Annotated Anodyne CC1(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CCCCC1 ZINC000225223124 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2C3CC4CC(C3)CC2C4)cc1F ZINC000225230755 HH Annotated Anodyne CCc1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000225245963 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1ccc(OCC2C3CC4CC(C3)CC2C4)c(C2CC2)c1 ZINC000225246645 HH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(O[C@H]2CC=C(Cl)CC2)cc1F ZINC000225249909 HH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(O[C@@H]2CC=C(Cl)CC2)cc1F ZINC000225249942 HH Annotated Anodyne NC1=N[C@@](c2cc(-c3n[nH]c(-c4ccc(F)cc4)n3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000225693382 HH Annotated Anodyne Cc1ccc(N2CCCC2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)n1 ZINC000226038007 HH Annotated Anodyne Cc1cc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)on1 ZINC000226048156 HH Annotated Anodyne CNC(=O)N1CC=C(c2[nH]c3nccc(-c4cc(F)ccc4OC)c3c2C#N)CC1 ZINC000226048768 HH Annotated Mild COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1ncc(C(F)(F)F)cn1)C2 ZINC000226049903 HH Annotated Anodyne O=C(c1c(F)cccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 ZINC000226051873 HH Annotated Anodyne Cc1ccc(-c2ncco2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)n1 ZINC000226052194 HH Annotated Anodyne O=C(c1cc(F)ccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 ZINC000226052957 HH Annotated Anodyne CNC(=O)N1CC=C(c2[nH]c3ncc(F)c(-c4cc(F)ccc4OC)c3c2C#N)CC1 ZINC000226053377 HH Annotated Mild O=C(c1cc(F)ccc1-c1ccn[nH]1)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 ZINC000226053424 HH Annotated Anodyne Cc1coc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)n1 ZINC000226053656 HH Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1cnc3ccccc3n1)C2 ZINC000226055024 HH Annotated Anodyne COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1ccc(Br)cn1)C2 ZINC000226060823 HH Annotated Anodyne CN1CCC(c2cc3c(-c4nc(NCc5ncn[nH]5)ccc4Cl)ccnc3[nH]2)CC1 ZINC000226071273 HH Annotated Anodyne Cc1cc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)on1 ZINC000226072238 HH Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H](C)N(S(C)(=O)=O)CC3)cc12 ZINC000226079555 HH Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 ZINC000226080013 HH Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N(C)C)CC3)cc12 ZINC000226081735 HH Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(NC[C@@H]5CCN(C)C5)n4)ccnc3[nH]2)CC1 ZINC000226089679 HH Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(NC[C@H]5CCN(C)C5)n4)ccnc3[nH]2)CC1 ZINC000226089695 HH Annotated Anodyne O=C(c1ccc(F)c(Cl)c1Cl)N1[C@H]2CC[C@@H]1c1nnc(-c3cnccn3)n1C2 ZINC000226096675 HH Annotated Anodyne Cc1nc(C)c(CN2CCC[C@@H]2c2ccc(C(=O)Nc3ncn(C)n3)s2)s1 ZINC000023145904 HH Annotated Anodyne Cc1nc(C)c(CN2CCC[C@H]2c2ccc(C(=O)Nc3ncn(C)n3)s2)s1 ZINC000023145906 HH Annotated Anodyne Cc1nc[nH]c1CN1CCc2c(cnc(C)c2-c2noc(-c3cccc(F)c3)n2)C1 ZINC000023192350 HH Annotated Anodyne Cc1ccc(OCc2cc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)no2)cc1C ZINC000023337635 HH Annotated Anodyne CC(C)NC(=O)[C@@H]1C[C@@H](NC2Cc3ccccc3C2)CN1Cc1ccccc1Cl ZINC000023360390 HH Annotated Anodyne COC(=O)[C@@]1(OC(C)=O)C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000230084940 HH Annotated Anodyne in-man COC(=O)[C@]1(OC(C)=O)C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000230084945 HH Annotated Anodyne in-man COC(=O)[C@@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000230084950 HH Annotated Anodyne in-man COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000230084954 HH Annotated Anodyne in-man O=S(=O)(NC1CCCC1)c1ccnc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c12 ZINC000230472716 HH Annotated Anodyne in-vitro N#Cc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)F)c3c2CC(F)(F)[C@H]3O)c1 ZINC000230477048 HH Annotated Anodyne in-vitro N#Cc1c(-c2ccc(C(=O)O)cc2)c2c([nH]c1=O)-c1cccc(-c3cn[nH]c3)c1CC2 ZINC000230584066 HH Annotated Mild in-vitro CNS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1 ZINC000230816033 HH Annotated Anodyne C/C=C(/C)C(=O)[C@H]1[C@]2(CO2)[C@@H]2CC[C@H]3[C@@]4(C)[C@H](CC[C@]13C2)[C@](C)(C(=O)O)CC[C@H]4O ZINC000238730651 HH Annotated Mild C=CCOc1c(OC)cc2c(c1OC)O[C@@H](C)[C@@H]2c1cc(OC)c2c(c1)OCO2 ZINC000238730725 HH Annotated Mild COc1ccc(C(=O)O[C@@H]2C[C@](C)(O)C[C@@H]3[C@@H]4O[C@]4(C)C[C@H]3[C@@H]2C(C)C)cc1O ZINC000238730859 HH Annotated Anodyne CO[C@]1(C(C)C)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)O)C[C@@]42CN(C)C1 ZINC000238731804 HH Annotated Anodyne C=C(C)[C@H](O)Cc1c(O)c(CC=C(C)C)c2c(c1O)c(=O)c1cccc(O)c1n2C ZINC000238732073 HH Annotated Mild CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C/C=C\[C@H](O)CCC(=O)OC ZINC000238732117 HH Annotated Mild CCCCCC1=CC(=O)C=C(OC)[C@@]12C(=O)Oc1cc(O)c(C(=O)O)c(CCC)c12 ZINC000238732378 HH Annotated Mild CC1=CCC[C@H]2[C@@]1(C)C[C@H](O)[C@@H](COC(=O)CCC(=O)O)[C@]2(C)CC/C(C)=C/CO ZINC000238732388 HH Annotated Anodyne COC1=C(OC)[C@@H](OC)[C@@H]2C(=C1)[C@H]1O[C@@H](c3cc4c(c(OC)c32)OCO4)[C@H](C)[C@@H]1C ZINC000238733036 HH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@H]2[C@]1(C)OC(C)=O ZINC000238733037 HH Annotated Reactive C/C=C/c1cc(OC)c(O[C@@H](C)[C@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 ZINC000238733264 HH Annotated Anodyne COC1=C(C)C(=O)O/C1=C1/O[C@@H]2CCCn3c([C@@H]4C[C@H](C)C(=O)O4)ccc3[C@H]2[C@@H]1C ZINC000238733537 HH Annotated Anodyne CN[C@@H](CC(C)C)[C@@H]1[C@H](C)C(C)=C[C@@H]2/C=C(\C)CCC(=O)[C@@H](O)CCC(=O)[C@]21C=O ZINC000238733690 HH Annotated Mild C[C@@H]1CC[C@@]2(C)C(COC(=O)CC(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H]1CO[C@H](O)C1 ZINC000238733727 HH Annotated Anodyne O=C1C[C@H](c2ccccc2)NCCCN(C(=O)/C=C\c2ccccc2)CC/C=C/N1 ZINC000238733940 HH Annotated Anodyne CC(=O)[C@@H](O)/C(=C/[C@@H](O)C(C)=O)[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1 ZINC000238734222 HH Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[C@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC ZINC000238734312 HH Annotated Mild CO[C@@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000238734508 HH Annotated Anodyne CC1=CC[C@H]2C(C)(C)C[C@H](OC(=O)CCC(=O)O)C[C@]2(C)[C@H]1CC/C(=C/CO)CO ZINC000238735403 HH Annotated Anodyne CC[C@]1(OC)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000238735785 HH Annotated Anodyne CC(=O)OC[C@@H](OC(C)=O)[C@@]1(C)CC[C@@]2(C)[C@H](C1)C(=O)C[C@]1(C)C(C)=CC(=O)C[C@@H]12 ZINC000238736034 HH Annotated Mild C=CCc1cc(OC)c(O[C@@H](C)[C@@H](O)c2cc(OC)c3c(c2)OCO3)c(OC)c1 ZINC000238736363 HH Annotated Mild C=C(C)[C@@]1(OO)C[C@H]2[C@](C)(OC(C)=O)[C@H](OC(=O)/C(C)=C\C)CC[C@]2(C)CC1=O ZINC000238736498 HH Annotated Reactive CCc1oc(=O)c(Cc2c(O)c(O)c(C(C)=O)c(CC=C(C)C)c2O)c(O)c1C ZINC000238736562 HH Annotated Clean CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)Cc3c(cc4occc4c3C)[C@@]12C ZINC000238736802 HH Annotated Anodyne CC1(C)C(=O)[C@@H]2C=C3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@](C)(C2=O)[C@H]1C=O ZINC000238737007 HH Annotated Mild CO[C@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000238737106 HH Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CN(C)C)C(=O)O[C@H]2/C=C(/C)CC/C=C(\C)CC[C@@H]1C(C)=O ZINC000238737657 HH Annotated Anodyne CC(=O)[C@H]1C[C@@]2(C)[C@H](O)C[C@H]3[C@@](C)(CC[C@@H]4C(C)(C)CCC[C@]34CO)[C@H]2C[C@@H]1O ZINC000238739088 HH Annotated Anodyne CC1=CCC[C@H]2[C@@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@@H](CO)[C@]2(C)CC/C(C)=C/CO ZINC000238739523 HH Annotated Anodyne C=CC[C@]12C=C(OC)C(=O)[C@H]([C@H](c3ccc(OC)c(OC)c3)[C@H]1C)[C@H]2OC(C)=O ZINC000238739774 HH Annotated Mild COc1ccc(C(=O)O[C@H]2C=C(C)C(=O)C[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1OC ZINC000238739846 HH Annotated Mild C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@]2(C)C[C@]1(C)[C@]4(COC(C)=O)C(=O)OC ZINC000238739867 HH Annotated Anodyne COc1cc(C[C@@H](C)[C@H](C)[C@@H](O)c2cc(O)c(OC)c(OC)c2)cc(O)c1OC ZINC000238739892 HH Annotated Anodyne C[C@H]1[C@@H](O)[C@@]2(OC1(C)C)O[C@]13CC[C@H]([C@@H]2C)[C@@]1(C)C=Cc1c3ccc(O)c1CO ZINC000238739944 HH Annotated Anodyne CC/C=C(\C)C[C@H](C)C[C@H](C)/C(O)=C1/C(=O)N[C@@H]([C@@H](O)c2ccc(O)cc2)C1=O ZINC000238740332 HH Annotated Mild CC(=O)OC[C@]1(C(=O)O)[C@H]2CC[C@]34C[C@@H]5[C@H](C[C@H]3[C@]2(C)CC[C@H]1OC(C)=O)[C@]5(C)C4 ZINC000238740360 HH Annotated Anodyne C/C=C/c1ccc2oc(-c3ccc(O[C@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3)c(C)c2c1 ZINC000238740879 HH Annotated Anodyne CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C\C=C\[C@H](O)CCC(=O)OC ZINC000238740894 HH Annotated Mild COC[C@H]1Cc2ccc(OC)c(OC)c2[C@@H](c2ccc(OC)c(OC)c2)[C@@H]1COC ZINC000238740997 HH Annotated Anodyne CC(=O)OC[C@H]1CC[C@]2(C)C(C)=CC(=O)C[C@H]2[C@]1(C)C[C@@H](OC(C)=O)/C(C)=C/CO ZINC000238741163 HH Annotated Mild CC(C)=C[C@@H]1O[C@](C)(CCc2occc2C)[C@H]2C(=O)[C@]3(O)[C@H](C)CC[C@@H]3[C@@H](C)[C@@]12O ZINC000238741608 HH Annotated Anodyne CC(=O)[C@H](O)[C@@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@H]1O ZINC000238741882 HH Annotated Anodyne CC(=O)OC[C@@]1(CO)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@H]12 ZINC000238741982 HH Annotated Anodyne CC[C@]1(OC)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@]42CN(C)C1 ZINC000238742222 HH Annotated Anodyne COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@H](C)[C@H](C)CO)cc(OC)c1OC ZINC000238742643 HH Annotated Anodyne CC[C@H]1C[C@H]2C[C@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4CCN([C@@H]2CC(C)=O)[C@H]13 ZINC000238742670 HH Annotated Anodyne C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc3)c(C)c2c1 ZINC000238743108 HH Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@]2(C)c3cc4occc4c(C)c3CC[C@@]2(O)C1(C)C ZINC000238743788 HH Annotated Anodyne COc1ccc(C(=O)O[C@@H]2C/C(C)=C/CC[C@@]3(C)O[C@@H]3[C@H](O)[C@H]2C(C)C)cc1O ZINC000238743909 HH Annotated Anodyne CC(C)[C@H]1[C@H](OC(=O)/C=C/c2ccccc2)[C@H]2O[C@@]2(C)CC[C@H]2O[C@@]2(C)C[C@H]1O ZINC000238743960 HH Annotated Anodyne O=C(O)CC/C=C\[C@H](O)[C@H](O)CCCCCC=C(Br)Br ZINC000238744201 HH Annotated Anodyne COC(=O)C[C@@]1(C)CC[C@]2(O1)C(COC(C)=O)=C[C@@H](O)[C@@H]1C(C)(C)CCC[C@]12C ZINC000238744232 HH Annotated Anodyne COc1cc(C(=O)O[C@H]2[C@H](C(C)C)[C@H](O)C/C(C)=C/CC[C@@]3(C)O[C@H]23)ccc1O ZINC000238744488 HH Annotated Anodyne C#C/C=C/C[C@@H](Br)[C@]1(OC)C[C@H]2O[C@@H](CC)[C@H](Br)C[C@H]2O1 ZINC000238744649 HH Annotated Reactive C=C/C(C)=C/C[C@@H]1C(=C)CC[C@H]2[C@@](C)(CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)CCC[C@@]12C ZINC000238744700 HH Annotated Mild CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]23C)C(=O)O1 ZINC000238745040 HH Annotated Anodyne C=C1[C@@H]2CC[C@]34[C@H]1[C@@]3(C2)[C@@H](C(=O)OC)[C@H]1[C@]42OC(=O)[C@]1(C)CC[C@H]2O[Si](C)(C)C ZINC000238745151 HH Annotated Reactive CC[C@@]1(OC)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000238745441 HH Annotated Anodyne COC[C@H]1Cc2cc(OC)c(OC)cc2[C@H](c2ccc(OC)c(OC)c2)[C@H]1COC ZINC000238745751 HH Annotated Anodyne C=CC[C@@]12C[C@H](OC)C(=O)C(OC)=C1O[C@H](C)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000238746292 HH Annotated Mild C[C@H]1O[C@@H]1[C@H]1C[C@@H]1C1=C(Br)[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 ZINC000238746514 HH Annotated Anodyne CCCC(=O)O[C@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C(=O)O[C@@H]4O[C@@H](O)[C@]12[C@@H]43 ZINC000238746637 HH Annotated Anodyne C=N[C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)(NC=O)CC[C@@H]2[C@@]1(C)CC[C@H](Cl)C(C)(C)O1 ZINC000238746733 HH Annotated Reactive COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1OC[C@H](C2)[C@@H]1C ZINC000238747887 HH Annotated Anodyne CC1(C)C(=O)C=C[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@H]2[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000238748053 HH Annotated Mild COc1cc(C(=O)O[C@@]2(C(C)C)CC[C@]3(C)C[C@@H]4O[C@]4(C)C[C@H](O)[C@H]32)ccc1O ZINC000238748512 HH Annotated Anodyne C[C@H]1CCC/C=C\C=C\[C@H](O)C[C@@H](O)C/C=C\C=C\[C@H](O)C/C=C/C=C\C(=O)O1 ZINC000238748782 HH Annotated Anodyne COc1cc(C(=O)O[C@@H]2C/C(C)=C/CC[C@@]3(C)O[C@@H]3[C@H](O)[C@H]2C(C)C)ccc1O ZINC000238749489 HH Annotated Anodyne C=C1c2ccoc2C[C@@H]2[C@@H]1C[C@@H](OC(C)=O)[C@]1(O)C(C)(C)CC[C@@H](OC(C)=O)[C@@]21C ZINC000238749630 HH Annotated Mild CO[C@H]1CC[C@@H](C)/C=C\CC/C(C)=C\C(=O)O[C@H](CC(=O)[C@H]2CSC(=O)N2)C1 ZINC000238749645 HH Annotated Anodyne CC(C)[C@@H](O)C(=O)[C@@H]1[C@@H]2c3c4cc5oc(=O)ccc5c3O[C@@]1(C)CC[C@H]2C(C)(C)O4 ZINC000238749777 HH Annotated Anodyne C=C1[C@@H](O)[C@@H]2Cc3c(cc4oc5ccc(C)c(O)c5c(=O)c4c3CO)[C@]2(C)C1(C)C ZINC000238749818 HH Annotated Mild CC(=O)O[C@@H]1/C=C(\C)C[C@H](O)[C@H]2[C@H](C(C)(C)O)CC[C@]2(C)/C=C/[C@@H](C)[C@H]1OC(C)=O ZINC000238749991 HH Annotated Anodyne COc1cc(=O)oc([C@@]2(C)O[C@@H]2/C(C)=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@]3(C)O[C@@H]23)c1C ZINC000238750238 HH Annotated Anodyne CC(C)=CC[C@H]1[C@H](O)[CH][CH][C@H]2[C@H]3CO[C@H]4[C@H]([CH][CH][C@H](O)[C@H]4CC=C(C)C)[C@@H]3O[C@H]21 ZINC000238750255 HH Annotated Anodyne CC(C)[C@H]1CC[C@]2(C)[C@@H]([C@H]1OC(=O)/C=C/c1ccc(O)cc1)[C@](C)(O)CC[C@H]2O ZINC000238750405 HH Annotated Anodyne C[C@H]1C[C@]23OC(=O)[C@@]4(C)C(=O)C(=O)[C@H](C[C@H]42)[C@H](C)C[C@H](C)CCC[C@H]3C=C1C(=O)O ZINC000238750438 HH Annotated Clean C/C=C(/C)C(=O)O[C@H]1C=C2[C@H](OC)O[C@@H](OC(C)=O)[C@H]3CC[C@H]4C(C)(C)[C@@H]1C[C@]234 ZINC000238750545 HH Annotated Anodyne COc1ccc(C(=O)O[C@H]2CC(C)=CC(=O)[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1OC ZINC000238750574 HH Annotated Mild COC(=O)[C@@]1(C)[C@@H](OC(C)=O)CC[C@]2(C(=O)O)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@H]21 ZINC000238751528 HH Annotated Anodyne C=C([C@H](CC=C(C)C)OC(=O)/C=C\CCC)[C@H]1C[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(C)=O ZINC000238751668 HH Annotated Mild COc1cc(C(=O)OC[C@@H](C)[C@H]2CC[C@]3(C)C[C@H](O)[C@]4(C)CC[C@]23O4)ccc1O ZINC000238751863 HH Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1CC[C@H]1CC(=O)NC1=O ZINC000238752121 HH Annotated Reactive C[C@H](O)C(C)(C)c1c2c(c(O)c3oc(=O)cc(-c4ccccc4)c13)C(=O)[C@H](C)C2=O ZINC000238753281 HH Annotated Clean C/C=C(\C)C(=O)Oc1cc(COC(=O)C(C)C)ccc1[C@]1(COC(=O)C(C)C)CO1 ZINC000238753590 HH Annotated Anodyne COc1ccc(C(=O)O[C@@H]2C[C@](C)(O)[C@@H]3C[C@H]4O[C@@]4(C)[C@H]3C[C@@H]2C(C)C)cc1OC ZINC000238754437 HH Annotated Anodyne COC(=O)C[C@@]1(C)CC[C@]2(O1)C(COC(C)=O)=CC[C@@H]1[C@](C)(CO)CCC[C@]12C ZINC000238754775 HH Annotated Anodyne C[C@@H](CC(=O)N1C(=O)C(C)(C)[C@H](O)[C@@H]1C[C@@H](C)C(Cl)Cl)C(Cl)Cl ZINC000238755400 HH Annotated Reactive CCO[C@@H]1C[C@H]2C(C)=C(OC)C(=O)[C@@H]3[C@@]4(C)C(=O)C(OC)=C[C@@H](C)[C@@H]4C[C@@H](O1)[C@]32C ZINC000238755749 HH Annotated Mild CO[C@H]1C[C@@]2(CC[C@]3(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]23C)C(=O)O1 ZINC000238755956 HH Annotated Anodyne COc1ccc(-c2ccc3cc4c(cc3c2N(C)C=O)OCO4)c(OC(C)=O)c1OC ZINC000238756048 HH Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@H](C(C)C)[C@@H]1N(CCc1c2[nH]c2cc(OC)c(OC)cc12)C3 ZINC000238756054 HH Annotated Anodyne COc1cc([C@H]2Oc3cc(/C=C/C=O)cc(OC)c3O[C@@H]2C)cc(OC)c1OC ZINC000238756130 HH Annotated Reactive CC(C)[C@@H]1[C@H](OC(=O)/C=C/c2ccccc2)C[C@@]2(C)O[C@H]2CC[C@]2(C)O[C@@H]2[C@@H]1O ZINC000238756291 HH Annotated Anodyne CC(=O)OC[C@]1(CO)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@H]12 ZINC000238756552 HH Annotated Anodyne COc1cc(-c2ccc3cc4c(cc3c2N(C)C=O)OCO4)c(O)c(OC)c1OC ZINC000238756948 HH Annotated Anodyne COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)[C@@H](O)[C@@H](C)[C@@H](C)C2 ZINC000238757305 HH Annotated Anodyne C=C[C@H]1C[N+]2([O-])CCc3c([nH]c4cccc(OC)c34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000238757574 HH Annotated Mild CC1=CCC[C@H]2[C@@]1(C)C[C@H](O)[C@@H](COC(=O)CCC(=O)O)[C@]2(C)CC[C@H](C)CCO ZINC000238758668 HH Annotated Anodyne CC[C@@H]1O[C@@]2(O[C@@H]3C[C@@H](C=C=CBr)O[C@@H]3[C@H]2Br)[C@@H]2C[C@H]12 ZINC000238759132 HH Annotated Reactive CC(=O)OC[C@@]1(C)[C@H](OC(C)=O)C(=O)C[C@@]2(C)[C@@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 ZINC000238759504 HH Annotated Anodyne C=C(C)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]1[C@@H](OC(C)=O)C[C@]1(C)O[C@H]1CC/C(C)=C/[C@H]2O ZINC000238759547 HH Annotated Mild C=C(C)[C@H]1C/C=C(\C(=O)OC)CC[C@H]2O[C@]2(COC(=O)[C@H](C)CC)[C@@H](OC(C)=O)C1 ZINC000238759775 HH Annotated Mild CC1(C)O[C@@H]1C(=O)[C@@H]1[C@H]2c3c4cc5oc(=O)ccc5c3O[C@]1(C)CC[C@H]2C(C)(C)O4 ZINC000238760159 HH Annotated Anodyne COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC(=O)[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(C)=O ZINC000238760219 HH Annotated Mild CO[C@@H]1OC(=O)C=C1CC[C@]1(O)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000238761070 HH Annotated Anodyne COC(=O)C[C@@]1(C)CC[C@]2(O1)C(COC(C)=O)=CC(=O)[C@@H]1C(C)(C)CCC[C@]12C ZINC000238761217 HH Annotated Mild CC(=O)C[C@H]1C[C@]2(C)CC=C3CO[C@H](CC(C)=O)[C@@]3(O1)[C@H]2/C=C/OC(=O)C=C(C)C ZINC000238761378 HH Annotated Anodyne C=C1C2=C(Cc3occc31)[C@@]1(C)[C@@H](OC(C)=O)CCC(C)(C)[C@]1(O)C[C@@H]2OC(C)=O ZINC000238761453 HH Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@H](C)[C@@H]3OC(=O)C(C)C ZINC000238761932 HH Annotated Clean COc1ccc([C@H]2C[C@@H](c3cc(O)c(OC)c(OC)c3)[C@H](OC)CO2)cc1OC ZINC000238762099 HH Annotated Anodyne CO[C@@H]1C=C(CC[C@]2(O)[C@@H](C)C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@]32C)C(=O)O1 ZINC000238762616 HH Annotated Anodyne C[C@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\[C@H](O)/C=C/C/C=C/C=C\C(=O)O1 ZINC000238762653 HH Annotated Anodyne COC(=O)c1c(C)c(Cl)c(OC(=O)c2c(C)cc(O)cc2O)c(Cl)c1O ZINC000238762670 HH Annotated Anodyne COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@@H](C2)[N+](C)(C)CC3 ZINC000238762800 HH Annotated Bother COc1ccc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)cc1OC ZINC000238763060 HH Annotated Anodyne COc1cc(C(=O)O[C@H]2CC(C)=CC(=O)[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000238763412 HH Annotated Mild CC(C)(C(=O)O)[C@H]1CC[C@]2(C)O[C@@](C)([C@H](O)CCl)CC[C@H]2[C@]1(C)CC(=O)O ZINC000238764048 HH Annotated Reactive CO[C@@H]1C(=O)[C@]2(O)c3occ4c3[C@](C)(CC[C@H]4OC(C)=O)CC[C@@]2(C)[C@@H]1C(C)C ZINC000238764331 HH Annotated Anodyne C/C=C1/C=CC2(OC3=C(c4ccc(O)cc4)C(=O)C(=O)C(c4ccc(O)cc4)=C3O2)O1 ZINC000238764696 HH Annotated Mild CC1=C[C@H]2C[C@@H](C)CC3=NC[C@H](C)[C@H]([C@@H]32)[C@H]1c1cc(O)cc(OS(=O)(=O)O)c1 ZINC000238765118 HH Annotated Anodyne C[C@H](CCOC(=O)CC(=O)O)CC[C@@H]1[C@@](C)(O)CC[C@@H]2[C@@](C)(CO)CCC[C@@]12C ZINC000238765154 HH Annotated Anodyne CO[C@]12C(C=O)=C[C@@H]3C[C@@H](C)C[C@H]3[C@@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000238765155 HH Annotated Reactive COc1cc(C(=O)O[C@@H]2C[C@@](C)(O)[C@@H]3C[C@H]4O[C@@]4(C)[C@H]3C[C@@H]2C(C)C)ccc1O ZINC000238765335 HH Annotated Anodyne C[C@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C/C=C/[C@H](O)C/C=C/C=C\C(=O)O1 ZINC000238765428 HH Annotated Anodyne CCCC(=O)c1c(O)cc(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c1O ZINC000238765500 HH Annotated Mild COc1cc([C@@H]2Oc3cc(/C=C/C=O)cc(OC)c3O[C@H]2C)cc(OC)c1OC ZINC000238765783 HH Annotated Reactive COc1ccc(C[C@H](O)[C@H]2CO[C@H](Cc3ccc(OC)c(OC)c3)[C@H]2C)cc1OC ZINC000238766684 HH Annotated Anodyne C/C=C1/C([C@@]2(C)CCCC(C)(C)C2)=C[C@H](O)[C@H]2[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@H]12 ZINC000238766929 HH Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@H]2OC(=O)C(C)C ZINC000238767389 HH Annotated Mild CC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(O)c(C(=O)CO)c(O)c(CC=C(C)C)c2O1 ZINC000238767416 HH Annotated Anodyne CC1(C)OC(=O)C=C[C@]2(C)[C@@H]3C[C@@]4(C)C(=O)[C@]5(C)C[C@@H]6C(=O)OC[C@@]64[C@@]3(CC[C@@H]12)C5 ZINC000238767468 HH Annotated Anodyne COc1cc(C(=O)O[C@@H]2C[C@](C)(O)C[C@@H]3[C@@H]4O[C@]4(C)C[C@H]3[C@@H]2C(C)C)ccc1O ZINC000238767476 HH Annotated Anodyne COC(=O)/C=C(\CC[C@@H]1[C@@H](OC=O)C=C[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O ZINC000238767797 HH Annotated Anodyne COc1ccc2c(c1C)C=C[C@]1(C)[C@@H]3CC[C@]21O[C@@]1(OC(C)(C)[C@@H](CO)[C@H]1O)[C@H]3C ZINC000238767858 HH Annotated Anodyne COc1cc(-c2oc3c(OC)cc(C=O)cc3c2COC(C)=O)ccc1OC(C)=O ZINC000238767960 HH Annotated Anodyne CC1=CC(=O)c2c(ccc([C@@H](C)c3ccc4c(c3O)C(=O)C(C)=CC4=O)c2O)C1=O ZINC000238768361 HH Annotated Mild C=C(C(=O)O)[C@@H](C)CC/C(C)=C/CC/C(=C/CC/C(=C\CO)CO)COC(C)=O ZINC000238768490 HH Annotated Mild C/C(=C\[C@@H](O)[C@H](C)O)[C@@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@@]21C ZINC000238768565 HH Annotated Mild CC(C)=CCC/C(C)=C/COc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1O ZINC000238768598 HH Annotated Anodyne C/C=C(/C)C(=O)[C@H]1[C@]2(CO2)[C@@H]2CC[C@H]3[C@]4(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]4CC[C@@]31C2 ZINC000238768610 HH Annotated Mild COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@H](C)[C@H](CC[C@@]52COC(C)=O)[C@@H]63)CC[C@@H]41 ZINC000238768973 HH Annotated Anodyne CCCC(=O)c1c(O)c(C)c(OC)c(Cc2c(O)c(C)c(O)c(C(C)=O)c2O)c1O ZINC000238769037 HH Annotated Anodyne CC1=CCC[C@H]2[C@@]1(C)C[C@H](OC(=O)CCC(=O)O)[C@@H](CO)[C@]2(C)CC[C@H](C)CCO ZINC000238769383 HH Annotated Anodyne C=CCCCCC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](C#CC#CCCC)OC(C)=O ZINC000238769580 HH Annotated Mild COc1cc(O)c([C@@H](O)[C@H](C)[C@H](C)Cc2cc(O)c(OC)c(OC)c2)cc1OC ZINC000238769802 HH Annotated Anodyne C=C(C)[C@H]1C/C=C(/C(=O)OC)CC[C@H]2O[C@]2(COC(=O)[C@H](C)CC)[C@@H](OC(C)=O)C1 ZINC000238770082 HH Annotated Mild C/C(=C\[C@@H](O)[C@@H](C)O)[C@@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@@]21C ZINC000238770226 HH Annotated Mild C/C1=C/C[C@@H]2C(C(C)C)=CC(=O)O[C@@]2(C)CC/C(C)=C2/OC(=O)[C@H]3[C@@H]2[C@@H]1O[C@@]3(C)O ZINC000238770286 HH Annotated Anodyne C[C@@H]1O[C@H]1[C@@H]1C[C@@H]1C1=C(Br)[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 ZINC000238770412 HH Annotated Anodyne CO[C@@H]1OC(=O)C[C@@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000238770772 HH Annotated Anodyne CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)ccc5c4CCN([C@@H]13)[C@@H]2CC(C)=O ZINC000238770879 HH Annotated Anodyne CC[C@@H](OC)[C@H]1CCC[C@H]2[C@@H]3C(=CCC[N+]21[O-])O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C ZINC000238771065 HH Annotated Bother COc1cc(C[C@@H](C)[C@@H](C)C(=O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O ZINC000238771087 HH Annotated Anodyne C=N[C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)(NC=O)CC[C@@H]2[C@@]1(C)CC[C@@H](Cl)C(C)(C)O1 ZINC000238771609 HH Annotated Reactive CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1CC[C@@]13C[C@@]4(C)C[C@H]5C(=O)OC[C@]51[C@@](C)(C[C@H]32)C4=O ZINC000238771733 HH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C=C2[C@@H](OC)O[C@H](OC(C)=O)[C@@H]3CC[C@@H]4C(C)(C)[C@@H]1C[C@]234 ZINC000238771833 HH Annotated Anodyne C[C@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@H](O)C/C=C/C=C\C(=O)O1 ZINC000238772255 HH Annotated Anodyne COc1cc2c(cc1[C@H]1COc3c(cc(OC)c4c3C=CC(C)(C)O4)C1=O)OCO2 ZINC000238772559 HH Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C=C2[C@@H](OC)O[C@H](OC(C)=O)[C@H]3CC[C@@H]4C(C)(C)[C@@H]1C[C@]234 ZINC000238772832 HH Annotated Anodyne COC(=O)C1=CC[C@H](O)[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](COC(C)=O)CC[C@@]12C ZINC000238773028 HH Annotated Anodyne C=C([C@H](CC=C(C)C)OC(C)=O)[C@H]1C[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(=O)/C=C(\C)CC ZINC000238773144 HH Annotated Mild CC1(C)CC[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@]2(C)[C@H]1CC=C1C(=O)O[C@@H](O)[C@@H]12 ZINC000238773380 HH Annotated Anodyne CNC(=O)c1c(=O)n2c(c3[nH]c4ccc(Cl)cc4c13)C(=O)c1cc(Cl)ccc1-2 ZINC000238773567 HH Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)C(OC)=C1O[C@H](C)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000238773656 HH Annotated Mild COC1=C(c2ccc(O)cc2)[C@@](Cc2ccc(O)c(CC=C(C)C)c2)(C(=O)O)OC1=O ZINC000238773747 HH Annotated Anodyne CC(=O)OC[C@]1(C)[C@H]2CC[C@@]3(C)c4cocc4CC[C@@H]3[C@@]2(C)CC(=O)[C@@H]1OC(C)=O ZINC000238774934 HH Annotated Anodyne COc1cc2c(cc1OC)-c1cc(OC)c(OC)c(OC)c1[C@@H](O)[C@@H](C)[C@H](C)C2=O ZINC000238774983 HH Annotated Anodyne C=CC[C@]12C=C(OC)C(=O)C(OC)=C1O[C@@H](C)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000238775091 HH Annotated Mild CO[C@@H]1CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O[C@@H](CC(=O)[C@H]2CSC(=O)N2)C1 ZINC000238775160 HH Annotated Anodyne CO[C@@]1(C(C)C)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3)[C@@H](C(=O)O)C[C@]42CN(C)C1 ZINC000238775195 HH Annotated Anodyne CC(=O)[C@@H]1C[C@@]23C(=O)[C@](C)(CC=C(C)C)C(=O)[C@@](C(=O)C(C)C)(C[C@@H]2C1(C)C)C3=O ZINC000238775609 HH Annotated Anodyne CC(=O)OCC[C@@H](CC[C@@]1(C)[C@H](C)[C@H](O)C[C@@]2(C)C(CO)=CCC[C@@H]21)COC(C)=O ZINC000238775918 HH Annotated Anodyne CC1=C[C@@]2(O)[C@@H](CC1)[C@@](C)(NC=O)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)N=C=S)O1 ZINC000238776112 HH Annotated Reactive CC[C@@H]1C[N+]2([O-])CCc3c([nH]c4cccc(OC)c34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000238776119 HH Annotated Bother C=C/C(C)=C\C[C@@H]1C(=C)CC[C@H]2[C@@](C)(CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)CCC[C@@]12C ZINC000238776129 HH Annotated Mild O=C(CCc1ccccc1)c1c(O)cc2c(c1O)C[C@@H](O)[C@H](c1ccc(O)cc1)O2 ZINC000238776318 HH Annotated Anodyne CO[C@@H]1C[C@@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)C2=C1C(=O)C(C(C)C)=C(O)C2=O ZINC000238776343 HH Annotated Mild COc1ccc(C(=O)O[C@H]2C[C@@]3(C)O[C@H]3C[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1OC ZINC000238776407 HH Annotated Anodyne COc1ccc(C(=O)O[C@@H]2C[C@@](C)(O)[C@@H]3C[C@H]4O[C@@]4(C)[C@H]3C[C@@H]2C(C)C)cc1O ZINC000238777577 HH Annotated Anodyne C=C(C(=O)OC)[C@@H]1CC[C@@](C)(O)[C@@H](OC(C)=O)CC/C(C)=C/C/C=C(\C)[C@@H](O)C1 ZINC000238778357 HH Annotated Mild COC(=O)[C@H]1C[C@@]23C4=C(CC[C@@H]5CN6C[C@@H](C)[C@@H](CC[C@@]52COC(C)=O)[C@H]63)CC[C@@H]41 ZINC000238778556 HH Annotated Anodyne COc1cc(C(=O)O[C@H]2C[C@@]3(C)O[C@H]3C[C@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000238778578 HH Annotated Anodyne C/C(=C/COc1ccc(CCNC(=O)c2ccccc2)cc1)[C@H](O)C[C@@H]1OC1(C)C ZINC000238779192 HH Annotated Anodyne COC(=O)C[C@@]1(C)CC[C@]2(O1)C(C)=C[C@@H](O)[C@@H]1[C@@](C)(COC(C)=O)CCC[C@]12C ZINC000238779306 HH Annotated Anodyne CC(C)[C@@H](C)C(=O)Nc1nc2c([nH]1)[C@@H](C)c1[nH]c(NC(=O)c3ccccc3)nc1CC2 ZINC000238779814 HH Annotated Anodyne COc1cc(C(=O)O[C@@H]2CC[C@](C)(O)CCCC(C)(C)[C@@H](O)/C=C/2C)ccc1O ZINC000238779937 HH Annotated Anodyne CC(=O)[C@H]1C[C@]23C(=O)[C@](C)(C[C@@H]2C1(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C)C)C3=O ZINC000238780374 HH Annotated Anodyne CCCCCc1c(C(=O)O)c(O)cc2c1[C@]1(C(=O)O2)C(CCC)=CC(=O)C=C1OC ZINC000238781138 HH Annotated Mild C=C(C)[C@H](O)CC/C(C)=C\[C@H]1CC(C)=C[C@@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@@H]3O2)O1 ZINC000238781240 HH Annotated Mild C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000238781579 HH Annotated Mild COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@H]23)c(O)c1 ZINC000238781744 HH Annotated Reactive COc1cc(C(=O)O[C@H]2C/C(C)=C/CC[C@]3(C)O[C@@H]3[C@H](O)[C@@H]2C(C)C)ccc1O ZINC000238782083 HH Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](C4=CC(=O)O[C@H]4O)OC[C@]3(O)CC[C@@H]21 ZINC000238782499 HH Annotated Anodyne COc1ccc([C@H]2Oc3cc4c(c(OC)c3C(=O)[C@@H]2O)C=CC(C)(C)O4)c(OC)c1 ZINC000238782613 HH Annotated Anodyne CC(=O)O[C@@H]1C=C(C)[C@@H]2[C@H]3C/C(C)=C/C[C@H](OC(C)=O)[C@@](C)(O)[C@H](O3)[C@@H]2[C@H]1C(C)C ZINC000238783089 HH Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(COC(C)=O)[C@H]1CCC1=CCOC1=O ZINC000238783283 HH Annotated Mild CC1=C[C@]2(C)/C=C(C)\C=C/C[C@@H](O)/C=C3\C=C/C(=C4\C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3 ZINC000238783893 HH Annotated Mild CC1=C[C@]2(C)/C=C(C)\C=C/C[C@@H](O)/C=C3\C=C/C(=C4/C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3 ZINC000238783897 HH Annotated Mild CC1=C[C@]2(C)/C=C(C)\C=C/C[C@@H](O)/C=C3/C=C/C(=C4\C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3 ZINC000238783900 HH Annotated Mild Br/C(I)=C/C(Br)Br ZINC000238784068 HH Annotated Reactive C=C(C)[C@@H](O)Cc1c2c(c3oc4c(O)c(O)ccc4c(=O)c3c1O)C=CC(C)(C)O2 ZINC000238784211 HH Annotated Mild C=C[C@](C)(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(C)=CCC[C@@H]21)O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000238784801 HH Annotated Mild C=C1O[C@H]([C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c2ccc(OC)c(OC)c21 ZINC000238784997 HH Annotated Anodyne COc1ccc(C(=O)O[C@@H]2C/C(C)=C\CC[C@@]3(C)O[C@@H]3[C@H](O)[C@H]2C(C)C)cc1O ZINC000238785389 HH Annotated Anodyne CC1=C[C@@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@@H]3O2)O[C@@H](/C=C(\C)C/C=C\C(C)(C)O)C1 ZINC000238786036 HH Annotated Mild CC1=C[C@@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@@H]3O2)O[C@@H](/C=C(/C)C/C=C\C(C)(C)O)C1 ZINC000238786039 HH Annotated Mild CC1=C[C@@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@@H]3O2)O[C@@H](/C=C(/C)C/C=C/C(C)(C)O)C1 ZINC000238786041 HH Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)C/C=C\[C@](C)(OO)CC[C@H]2OC(C)=O ZINC000238786085 HH Annotated Reactive O=C(CCc1ccccc1)c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1ccc(O)cc1)O2 ZINC000238786136 HH Annotated Anodyne CC[C@H]1O[C@H](CCC[C@]2(OC)C[C@H](C)[C@H](CC(=O)OC)OO2)[C@@H](Cl)[C@]1(C)OC ZINC000238786406 HH Annotated Reactive CC(=O)OC(C)(C)[C@H]1C[C@H]2O[C@@]2(C)[C@H]2[C@H]1[C@H]1O[C@@H]2C/C(C)=C/CC[C@@]1(C)OC(C)=O ZINC000238786514 HH Annotated Anodyne CC(=O)OC(C)(C)[C@H]1C[C@H]2O[C@@]2(C)[C@H]2[C@H]1[C@H]1O[C@@H]2C/C(C)=C\CC[C@@]1(C)OC(C)=O ZINC000238786516 HH Annotated Anodyne C=C(C(=O)OC)[C@@H]1CC[C@@](C)(O)[C@@H](OC(C)=O)CC/C(C)=C/CC[C@]2(C)O[C@@H]2C1 ZINC000238786524 HH Annotated Mild C=C(C(=O)OC)[C@@H]1CC[C@@](C)(O)[C@@H](OC(C)=O)CC/C(C)=C\CC[C@]2(C)O[C@@H]2C1 ZINC000238786525 HH Annotated Mild C=C1[C@@H](OC(C)=O)C[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@@H](C)C(=O)CC[C@@](C)(OC(C)=O)[C@@H]2O1 ZINC000238786749 HH Annotated Mild CC(=O)O[C@@H]1CC[C@](C)(OC(C)=O)[C@H]2O[C@@H](C[C@@]1(C)O)[C@@H]1C(C)=CC[C@@H](C(C)C)[C@@H]12 ZINC000238786873 HH Annotated Anodyne C/C(=C/[C@H](O)[C@H](C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C ZINC000238787058 HH Annotated Mild CC1=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(\C)C/C=C\C(C)(C)O)C1 ZINC000238788868 HH Annotated Mild C=CC(C)(C)[C@@]12C[C@H]3C(=O)Nc4ccccc4C(=O)N3[C@@H]1Nc1cc(OC)ccc12 ZINC000238788922 HH Annotated Mild C/C(=C/[C@H](O)[C@@H](C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C ZINC000238789010 HH Annotated Mild CC(C)[C@@H]1[C@H](OC(=O)/C=C\c2ccccc2)C[C@@]2(C)O[C@H]2CC[C@]2(C)O[C@@H]2[C@@H]1O ZINC000238789322 HH Annotated Anodyne COc1cc(C(=O)O[C@@H]2C/C(C)=C\CC[C@@]3(C)O[C@@H]3[C@H](O)[C@@H]2C(C)C)ccc1O ZINC000238789502 HH Annotated Anodyne C[C@@H]1Oc2c(c(O)c3c(c2[C@H](CC(=O)O)C[C@@H](C)O)OC(C)(C)C=C3)C(=O)[C@@H]1C ZINC000238789587 HH Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@H](C)C(=O)CC[C@@](C)(OC(C)=O)[C@@H]2O1 ZINC000238789834 HH Annotated Mild O=C(c1ccc2c(=O)n3c(nc2c1)CCC3)N1CCCS/C1=N\c1ccccc1 ZINC000024764886 HH Annotated Mild Cc1ccccc1-c1cc(NCc2ccc[n+]([O-])c2)n2ncc(Br)c2n1 ZINC000024931709 HH Annotated Anodyne in-vivo CC(C)(C)n1nnnc1[C@H](c1cccs1)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000245227670 HH Annotated Anodyne COc1ccc(CCN(C)c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)cc1OC ZINC000002500112 HH Annotated Anodyne COc1ccccc1Nc1nnc(SCc2cc(=O)n3cc(C)ccc3n2)s1 ZINC000002628267 HH Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc(NC(=O)c2ccco2)cc1 ZINC000002642759 HH Annotated Anodyne COc1ccccc1OCC(=O)n1cc(C(=O)c2cc(Cl)cc(Cl)c2O)cn1 ZINC000002652820 HH Annotated Anodyne Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)o1 ZINC000002658316 HH Annotated Reactive N#Cc1ccc(OCC(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)cc1 ZINC000002658866 HH Annotated Reactive COCCN1C(=O)C(=O)[C@@H](C(=O)c2ccco2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000002708889 HH Annotated Anodyne COCCN1C(=O)C(=O)[C@@H](C(=O)c2ccco2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000002708894 HH Annotated Anodyne CCn1/c(=N\C(=O)c2cc(=O)c3ccccc3o2)sc2c(OC)ccc(OC)c21 ZINC000002714327 HH Annotated Anodyne COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)cc1 ZINC000002725005 HH Annotated Anodyne CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)cc1 ZINC000002725010 HH Annotated Anodyne CCN(CC)CCNC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725476 HH Annotated Anodyne COCCC/N=C(\O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)cc1 ZINC000002908910 HH Annotated Mild CCCCN(C)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(OC)cc1 ZINC000002909135 HH Annotated Anodyne COc1cc(OC)c([C@H]2C[C@@H](c3ccc(Cl)cc3)N=C3N=CNN32)cc1OC ZINC000002914302 HH Annotated Anodyne COc1cc(OC)c([C@@H]2C[C@@H](c3ccc(Cl)cc3)N=C3N=CNN32)cc1OC ZINC000002914303 HH Annotated Anodyne COc1cc(OC)c([C@H]2C[C@H](c3ccc(Cl)cc3)N=C3N=CNN32)cc1OC ZINC000002914305 HH Annotated Anodyne COc1cc(OC)c([C@@H]2C[C@H](c3ccc(Cl)cc3)N=C3N=CNN32)cc1OC ZINC000002914306 HH Annotated Anodyne O=[N+]([O-])c1cccc([C@H]2C[C@@H](c3ccc(Br)cc3)N=C3N=CNN32)c1 ZINC000002914525 HH Annotated Anodyne O=[N+]([O-])c1cccc([C@@H]2C[C@@H](c3ccc(Br)cc3)N=C3N=CNN32)c1 ZINC000002914527 HH Annotated Anodyne O=[N+]([O-])c1cccc([C@H]2C[C@H](c3ccc(Br)cc3)N=C3N=CNN32)c1 ZINC000002914528 HH Annotated Anodyne O=[N+]([O-])c1cccc([C@@H]2C[C@H](c3ccc(Br)cc3)N=C3N=CNN32)c1 ZINC000002914529 HH Annotated Anodyne Cc1ccc([C@H]2C=C(c3ccc(I)cc3)N=C3NC=NN32)cc1 ZINC000002916269 HH Annotated Anodyne Cc1ccc([C@@H]2C=C(c3ccc(I)cc3)N=C3NC=NN32)cc1 ZINC000002916270 HH Annotated Anodyne Fc1ccccc1[C@@H]1C[C@@H](c2ccc(I)cc2)Nc2nnnn21 ZINC000002916483 HH Annotated Anodyne Fc1ccccc1[C@H]1C[C@H](c2ccc(I)cc2)Nc2nnnn21 ZINC000002916485 HH Annotated Anodyne Fc1ccccc1[C@@H]1C[C@H](c2ccc(I)cc2)Nc2nnnn21 ZINC000002916487 HH Annotated Anodyne NC(=O)C1CCN(c2nc(Cc3ccccc3)nc3sc4c(c23)CCCC4)CC1 ZINC000002921816 HH Annotated Anodyne CCn1c(=O)n(C/C(O)=N/c2ccc(C)cc2Br)c(=O)c2ccccc21 ZINC000002922916 HH Annotated Anodyne CC[C@H](Oc1ccc2c(c1)C(=O)CC(C)(C)O2)C(=O)NCCN1CCCCCC1 ZINC000002923912 HH Annotated Anodyne CC[C@@H](Oc1ccc2c(c1)C(=O)CC(C)(C)O2)C(=O)NCCN1CCCCCC1 ZINC000002923914 HH Annotated Anodyne Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2C2CCCCC2)no1 ZINC000002925140 HH Annotated Anodyne COc1ccc(-n2c(SCC(=O)NC3CCCC3)nc3ccsc3c2=O)cc1 ZINC000002925271 HH Annotated Anodyne COc1cc(-n2c(C)nc3cc(C(=O)NCc4ccco4)ccc32)cc(OC)c1OC ZINC000002926519 HH Annotated Anodyne Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2ncnc(N(C)c3ccccc3)c12 ZINC000002926895 HH Annotated Anodyne CCN(CC)C(=O)c1sc2ncnc(N3CCN(c4ccccc4)CC3)c2c1C ZINC000002931441 HH Annotated Anodyne CCN(CC)CCNC(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C ZINC000002931598 HH Annotated Anodyne O=c1c2sccc2nc(SCc2cc(=O)n3cc(Cl)ccc3n2)n1C1CC1 ZINC000002932349 HH Annotated Anodyne CCC/N=C(\O)Cn1cnc2sc(C(=O)NC3CCCCCC3)c(C)c2c1=O ZINC000002937418 HH Annotated Mild Cc1cc(C)c(S(=O)(=O)NCC2CCC(/C(O)=N/C[C@H]3CCCO3)CC2)c(C)c1 ZINC000002938311 HH Annotated Mild Cc1cc(C)c(S(=O)(=O)NCC2CCC(/C(O)=N/C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000002938313 HH Annotated Mild COc1ccccc1Cn1c(SCC#N)nc2ccc(Br)cc2c1=O ZINC000002970432 HH Annotated Anodyne CCOc1cc2[nH]c(=S)n(Cc3ccc(C(=O)O)cc3)c(=O)c2cc1OCC ZINC000002976540 HH Annotated Anodyne CCOC(=O)/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)N(C)C1CCN(C)CC1 ZINC000025326283 HH Annotated Mild O=C(COc1ccc2ccccc2c1CN1CCOCC1)N1CCc2ccccc21 ZINC000025426949 HH Annotated Anodyne aggregator COc1cc(OC)c([C@@H]2N(c3ccc(Cl)cc3)C(=O)[C@@H]3CCCN32)cc1OC ZINC000250278854 HH Annotated Anodyne COc1ccc([C@@H]2N(c3cc(Cl)ccc3OC)C(=O)[C@@H]3CCCN32)cc1OC ZINC000250389192 HH Annotated Anodyne CCOc1cc2nc(=S)n(CCC(=O)NCc3ccco3)c(O)c2cc1OCC ZINC000253496801 HH Annotated Anodyne O=S(=O)(N=c1c2ccccc2nc(O)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000253498043 HH Annotated Anodyne C[C@]1(CI)CO[C@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@H]2OO1 ZINC000253632631 HH Annotated Reactive C[C@]1(CI)CO[C@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@@H]2OO1 ZINC000253632632 HH Annotated Reactive C[C@]1(CI)CO[C@@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@H]2OO1 ZINC000253632633 HH Annotated Reactive C[C@]1(CI)CO[C@@]2(c3ccccc3)[C@H]3CC[C@@H](C3)[C@@H]2OO1 ZINC000253632635 HH Annotated Reactive CC[C@@H]1C[N@@+]2([O-])CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000253633659 HH Annotated Bother CC[C@@H]1C[N@+]2([O-])CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000253633660 HH Annotated Bother COC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]12 ZINC000253637023 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000253637024 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@@H]12 ZINC000253637026 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@H]12 ZINC000253637028 HH Annotated Mild C[C@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O ZINC000253638204 HH Annotated Anodyne COC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@H]4C[C@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000253638475 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12 ZINC000253638479 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@H]([C@@H]12)[C@H]1C[C@H]1[C@@]31CCC(=O)O1 ZINC000253638482 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@@H]12 ZINC000253638484 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@H]12 ZINC000253638486 HH Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H]4OCC[C@@H]24)[C@]13C(=O)O ZINC000253638487 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@H]([C@@H]12)[C@H]1C[C@H]1[C@]31CCC(=O)O1 ZINC000253638488 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@]34CCC(=O)O4)[C@@H]12 ZINC000253638489 HH Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H]4OCC[C@@H]24)[C@]13C(=O)O ZINC000253638490 HH Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)[C@@H]3C[C@@H]3[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@H]4C[C@H]4[C@]34CCC(=O)O4)[C@H]12 ZINC000253638492 HH Annotated Mild CC(C)CNC(=O)[C@]1(C)C[C@](C)(C(=O)NCC(C)C)C[C@](C)(C(=O)NCC(C)C)C1 ZINC000253638644 HH Annotated Anodyne C[C@@]1(O)CC[C@H]2C[C@H]1OO[C@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000253638969 HH Annotated Reactive C[C@]1(O)CC[C@H]2C[C@H]1OO[C@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000253638970 HH Annotated Reactive NC(=S)NN=C1[C@H]2CCC[C@H]1[C@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 ZINC000253650545 HH Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@H]1[C@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1 ZINC000253650549 HH Annotated Mild CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000253652081 HH Annotated Anodyne CC[C@@H]1C[N@+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@@H]3[C@@H]5O ZINC000253659840 HH Annotated Bother CC[C@@H]1C[N@+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@H]3[C@H]5O ZINC000253659843 HH Annotated Bother CC[C@@H]1C[N@+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@@H]3[C@H]5O ZINC000253659846 HH Annotated Bother CC[C@@H]1C[N@+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@H]3[C@@H]5O ZINC000253659849 HH Annotated Bother COc1cccc([C@H]2N[C@H](c3cccc(OC)c3)[C@H]3CCC[C@H]2C3=NNC(N)=S)c1 ZINC000253672962 HH Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@H]1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000253673246 HH Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@H]1[C@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1 ZINC000253673253 HH Annotated Mild N[C@@H]1CC[C@@H](NC(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000253673382 HH Annotated Reactive C[C@]1(O)CC[C@H]2C[C@H]1OO[C@@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000253674129 HH Annotated Reactive C[C@@]1(O)CC[C@H]2C[C@H]1OO[C@@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000253674134 HH Annotated Reactive CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)[C@@H](C(C)C)C1 ZINC000253677476 HH Annotated Anodyne CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)[C@H](C(C)C)C1 ZINC000253677485 HH Annotated Anodyne CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)[C@H](C(C)C)C1 ZINC000253677495 HH Annotated Anodyne CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)[C@@H](C(C)C)C1 ZINC000253677504 HH Annotated Anodyne COc1cc(C=NNc2nc3nonc3nc2Nc2ccc(Cl)cc2)ccc1O ZINC000253683771 HH Annotated Mild COc1ccc(Nc2nc3nonc3nc2NN=Cc2cc(Cl)ccc2O)cc1 ZINC000253685385 HH Annotated Mild CCn1c(=NC(=O)c2cc(=O)c3ccccc3o2)sc2c(OC)ccc(OC)c21 ZINC000253685535 HH Annotated Anodyne C=CC/N=C1\SCCCCN1N1C(=O)[C@H]2[C@@H]3C=C(C)[C@H](C[C@@H]3C(C)C)[C@H]2C1=O ZINC000253685593 HH Annotated Mild C=CC/N=C1\SCCCCN1N1C(=O)[C@H]2[C@@H]3C=C(C)[C@H](C[C@H]3C(C)C)[C@H]2C1=O ZINC000253685602 HH Annotated Mild CCCOC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCCC(C)(C)C ZINC000253694992 HH Annotated Anodyne COC(=O)[C@@H]1C[C@]23CN4C[C@@H](CC[C@@]5(CC[C@@H]1[C@@H]25)C4)[C@@]31CC[C@](OC)(C(C)C)OC1 ZINC000253731778 HH Annotated Anodyne COC(=O)[C@@H]1C[C@]23CN4C[C@@H](CC[C@@]5(CC[C@H]1[C@@H]25)C4)[C@@]31CC[C@](OC)(C(C)C)OC1 ZINC000253731786 HH Annotated Anodyne COC(=O)[C@@H]1C[C@]23CN4C[C@@H](CC[C@@]5(CC[C@H]1[C@H]25)C4)[C@@]31CC[C@](OC)(C(C)C)OC1 ZINC000253731793 HH Annotated Anodyne COCC(=O)N(c1ccccc1OC)[C@@H]1CCN(CCc2cccs2)C[C@H]1C ZINC000253780440 HH Annotated Anodyne O=C(CNC(=O)c1ccccc1)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000253916105 HH Annotated Clean Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@H]3N2C)o1 ZINC000253916556 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@H]3N2C)o1 ZINC000253916559 HH Annotated Anodyne COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@H]3NC(=S)NC(=S)[C@H]32)cc1 ZINC000253916923 HH Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)[C@@H](C(C)C)C1 ZINC000253917218 HH Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)[C@@H](C(C)C)C1 ZINC000253917675 HH Annotated Anodyne O=C(CNC(=O)c1cccs1)N=Nc1c(O)[nH]c2ccc(Br)cc12 ZINC000253928566 HH Annotated Clean C=CCn1c(O)c(N=NC(=O)CNC(=O)/C=C/c2ccc(OC)cc2)c2ccccc21 ZINC000253951869 HH Annotated Mild Cn1c(O)c(N=NC(=O)CNC(=O)c2ccccc2)c2cc(Br)ccc21 ZINC000253960890 HH Annotated Clean CN1[C@H](C(=O)NCCc2cccs2)C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]21 ZINC000253961028 HH Annotated Anodyne CN1[C@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]21 ZINC000253961030 HH Annotated Anodyne CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)nc2c1 ZINC000253961144 HH Annotated Anodyne CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)nc2c1 ZINC000253961146 HH Annotated Anodyne CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)nc2c1 ZINC000253961149 HH Annotated Anodyne CCS(=O)(=O)c1ccc2oc(SCC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)nc2c1 ZINC000253961151 HH Annotated Anodyne C=C(C)C(=O)OC[C@@H]1CN2[C@H](CC[C@@H](C)[C@@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000253977487 HH Annotated Mild C=C(C)C(=O)OC[C@@H]1CN2[C@H](CC[C@H](C)[C@@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000253977491 HH Annotated Mild CC(C)(C)n1nnnc1[C@H](c1ccccc1F)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000253978796 HH Annotated Anodyne Cc1ccc(N(CC(=O)N=Nc2c(O)[nH]c3ccccc23)S(C)(=O)=O)c(C)c1 ZINC000253978855 HH Annotated Clean Cc1ccc(S(=O)(=O)NC2=CC(=Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1 ZINC000253987442 HH Annotated Mild Cc1cc(Cl)ccc1N(CC(=O)N=Nc1c(O)[nH]c2ccccc12)S(C)(=O)=O ZINC000253989121 HH Annotated Clean CCOC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(C)cc2C)C=C[C@H]1OC(=O)OCC ZINC000253989197 HH Annotated Mild Cc1cccc(N(CC(=O)N=Nc2c(O)[nH]c3ccccc23)S(C)(=O)=O)c1C ZINC000253993053 HH Annotated Clean O=C(CN1CCN(Cc2ccccc2Cl)CC1)N=Nc1c(O)[nH]c2ccccc12 ZINC000254010559 HH Annotated Clean C=CC[C@@H]1C=C[C@@H](ON=C(C)CCN2CCCCc3nc(C)c(C)cc32)[C@@H](CO)O1 ZINC000254047086 HH Annotated Mild C=CC[C@@H]1C=C[C@H](ON=C(C)CCN2CCCCc3nc(C)c(C)cc32)[C@@H](CO)O1 ZINC000254047088 HH Annotated Mild C=CC[C@@H]1C=C[C@@H](ON=C(C)CCN2CCCCc3nc(C)c(C)cc32)[C@H](CO)O1 ZINC000254047090 HH Annotated Mild C=CC[C@@H]1C=C[C@H](ON=C(C)CCN2CCCCc3nc(C)c(C)cc32)[C@H](CO)O1 ZINC000254047092 HH Annotated Mild CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccccc1 ZINC000254051281 HH Annotated Anodyne CCOC(=O)C(Cc1nc(OCc2ccccc2)cc(OCc2ccccc2)n1)=NO ZINC000254071297 HH Annotated Mild CC(C)=CCC[C@]1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@H](O)[C@H]1O ZINC000254086016 HH Annotated Bother CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@@H](O)C3=C3OC(=O)C=C1[C@H]32 ZINC000254092332 HH Annotated Anodyne CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@@H](O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000254092336 HH Annotated Anodyne CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](O)C3=C3OC(=O)C=C1[C@H]32 ZINC000254092342 HH Annotated Anodyne CCOC(=O)c1ccc(Nc2c(C)c(N[C@@H]3CC[C@@H](N)CC3)nc3ccnn23)cc1 ZINC000254092396 HH Annotated Anodyne CN(CC[C@@H]1CC[C@@H](C(=O)N2CCC(O)CC2)CC1)C(=O)Oc1ccc(Cl)cc1 ZINC000254093229 HH Annotated Anodyne CO[C@H]1CC[C@H](OC)[C@H]([C@]2([C@@H]3C[C@H](OC)CC[C@@H]3OC)OC(=O)c3ccccc32)C1 ZINC000254113536 HH Annotated Anodyne CO[C@H]1CC[C@@H](OC)C[C@H]1[C@@]1([C@@H]2C[C@H](OC)CC[C@H]2OC)OC(=O)c2ccccc21 ZINC000254113540 HH Annotated Anodyne CO[C@H]1CC[C@@H](OC)[C@H]([C@]2([C@@H]3C[C@H](OC)CC[C@@H]3OC)OC(=O)c3ccccc32)C1 ZINC000254113542 HH Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)N(C)CCO)CC1 ZINC000254124444 HH Annotated Reactive Cc1cc(C(=O)N[C@H]2C(C)(C)[C@H](Oc3ccc(C#N)c(Cl)c3)C2(C)C)nn1C ZINC000254128353 HH Annotated Mild C[C@H](Nc1cc(N[C@@H]2CC[C@@H](NS(C)(=O)=O)CC2)ncn1)c1ccc(Cl)cc1 ZINC000254129267 HH Annotated Anodyne CC(C)=CCC[C@]1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@H](O)[C@H]1O ZINC000254133202 HH Annotated Bother Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@]13C[C@H]4C[C@@H](C[C@H]1C4)C[C@@H]23 ZINC000254194479 HH Annotated Anodyne Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@@]13C[C@H]4C[C@H](C[C@H]21)C[C@H]3C4 ZINC000254194483 HH Annotated Anodyne Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@@]13C[C@H]4C[C@@H](C[C@H]1C4)C[C@@H]23 ZINC000254194485 HH Annotated Anodyne Cn1c(=O)n2n(c1=O)[C@](C)(C13CC4CC(CC(C4)C1)C3)[C@]13C[C@H]4C[C@H](C[C@H]21)C[C@H]3C4 ZINC000254194486 HH Annotated Anodyne CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)C(=O)C3=C3OC(=O)C=C1[C@H]32 ZINC000254209859 HH Annotated Mild CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@@](C)(CC)C(=O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000254209860 HH Annotated Mild CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@@](C)(CC)C(=O)C3=C3OC(=O)C=C1[C@H]32 ZINC000254209861 HH Annotated Mild Cc1ccc(S(=O)(=O)N/N=C2/[C@@H]3[C@H](CC2(C)C)[C@@]2(C)CCC[C@@]3(C)[C@H]2O)cc1 ZINC000254224107 HH Annotated Mild Cc1ccc(S(=O)(=O)N/N=C2/[C@@H]3[C@@H](CC2(C)C)[C@@]2(C)CCC[C@@]3(C)[C@H]2O)cc1 ZINC000254224109 HH Annotated Mild O=[N+]([O-])c1ccc(NN=Cc2cccs2)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000254305434 HH Annotated Mild CCOCCn1c(=NC(=O)c2ccc(Cl)s2)sc2cc(C(=O)OC)ccc21 ZINC000254317683 HH Annotated Anodyne Cc1cc(C=NNC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(O)cc1 ZINC000254392238 HH Annotated Reactive aggregator O=C1[C@@H]2[C@@H](C(=O)N1N=Cc1cn(Cc3ccc(F)cc3)c3ccccc13)[C@H]1C=C[C@H]2C1 ZINC000254396075 HH Annotated Mild aggregator O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000254396076 HH Annotated Mild aggregator COc1ccc(C(=O)N=C2CCC(C#N)=C3c4cc(OC)c(OC)cc4CCN23)cc1 ZINC000254443842 HH Annotated Reactive CCOC(=O)C(=NNc1ccc(Cl)cc1)Sc1nnnn1-c1ccc(C)cc1 ZINC000254445861 HH Annotated Mild aggregator C#CCn1c(=NC(=O)c2ccc(Br)s2)sc2cccc(OC)c21 ZINC000254498582 HH Annotated Mild Sc1nnc(-c2[nH]nc3c2CCC3)n1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000254600697 HH Annotated Mild O=C(NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1 ZINC000254741903 HH Annotated Reactive COCCn1c(=NC(=O)/C=C/c2cccs2)sc2cc(NC(C)=O)ccc21 ZINC000254751234 HH Annotated Anodyne Cc1ccc(-c2ccc(C=NN3C(=O)[C@@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)o2)c([N+](=O)[O-])c1 ZINC000254849293 HH Annotated Mild aggregator Cc1ccc(-c2ccc(C=NN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4CC3)o2)c([N+](=O)[O-])c1 ZINC000254849294 HH Annotated Mild aggregator Cc1ccc(-c2ccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](CC5)[C@H]4C3=O)o2)c([N+](=O)[O-])c1 ZINC000254849295 HH Annotated Mild aggregator O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCCO)C1=O)Nc1ccc(Cl)cc1 ZINC000254868638 HH Annotated Mild O=C(C[C@H]1SC(=Nc2ccccc2)N(CCCO)C1=O)Nc1ccc(Cl)cc1 ZINC000254868641 HH Annotated Mild O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000025940287 HH Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000025940291 HH Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000025940296 HH Annotated Anodyne O=c1cnn(-c2ccc(-c3ccc4oc5ccc(Cl)cc5c(=O)c4c3)cc2)c(=O)[nH]1 ZINC000025963315 HH Annotated Bother C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)Cc1ccccc1)OCO3 ZINC000025987763 HH Annotated Anodyne C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)Cc1ccccc1)OCO3 ZINC000025987772 HH Annotated Anodyne N=C(NC1CC1)c1ccc(N2CCCN(c3ccc(C(=N)NC4CC4)cc3)CC2)cc1 ZINC000025993403 HH Annotated Anodyne CC(C)/N=C(\N)c1ccc(N2CCCN(c3ccc(/C(N)=N/C(C)C)cc3)CC2)cc1 ZINC000025997987 HH Annotated Mild CCCCCn1cnc2c(C#Cc3ncnc4c3ncn4CCCCC)ncnc21 ZINC000025999392 HH Annotated Mild CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@H]3[C@@H]1[C@H]1CC(C)=CC[C@@H](O)[C@](C)(OC[C@@H]2C)[C@@H]3O1 ZINC000255196933 HH Annotated Anodyne CCCC(=O)O[C@@H]1[C@H](C)C[C@@H]2[C@@H]3[C@@H]4O[C@@H](CC(C)=CC[C@@H](O)[C@]4(C)OC[C@@H]2C)[C@@H]31 ZINC000255196934 HH Annotated Anodyne CC1=C2CC[C@]3(C)[C@@H]4[C@@H](O)C[C@]5(O)[C@H](C)[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@]23CN1C ZINC000255209374 HH Annotated Anodyne C[C@H](CO)CCC[C@@H](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3[C@@H](CC[C@@H]12)[C@@H]1CC[C@@H](O)C[C@H]1C[C@H]3O ZINC000255209948 HH Annotated Anodyne C[C@@H]1c2ccc3c(c2[C@@]2(O)C[C@@H]4CC[C@@H]1N2C4)C[C@H]1[C@H]3C[C@@H](O)[C@H]2C[C@@H](O)CC[C@@]21C ZINC000255212134 HH Annotated Anodyne CO[C@@H]1C=C2CC[C@@H]3[C@H](C[C@@H](O)[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]34O)[C@@]2(C)CC1 ZINC000255226553 HH Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255248289 HH Annotated Anodyne CC1(C)C(=O)C=C[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)C3=CC(=O)[C@@](O)(c4ccoc4)[C@]3(C)CC[C@H]21 ZINC000255248811 HH Annotated Mild C=C1C[C@]23CC[C@H]4[C@]56CCC[C@@]4(C)C=[N+]([O-])[C@@H]5[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](O)[C@@H]63 ZINC000255269627 HH Annotated Mild COc1ccc(F)c(CN2CCOc3ccc(CN4CCCC[C@H]4CO)cc3C2)c1 ZINC000257371876 HH Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@H]23)c(O)c1 ZINC000257385433 HH Annotated Reactive CO[C@]12C(C=O)=C[C@@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000257430911 HH Annotated Reactive CO[C@]12C(C=O)=C[C@@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000257430912 HH Annotated Reactive COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@@]23O)c(O)c1 ZINC000257448287 HH Annotated Reactive CC(=O)[C@H](O)[C@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@H]1O ZINC000257527109 HH Annotated Anodyne COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@H]1C3 ZINC000257558017 HH Annotated Anodyne COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000257558018 HH Annotated Anodyne COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H]1C3 ZINC000257558019 HH Annotated Anodyne COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 ZINC000257558020 HH Annotated Anodyne COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)oc(=O)c1C ZINC000257610189 HH Annotated Anodyne COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@](C)(O)[C@H]2O)oc(=O)c1C ZINC000257610191 HH Annotated Anodyne COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000257610194 HH Annotated Anodyne CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2COCCOC)c1C ZINC000026005862 HH Annotated Anodyne CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2COCCOC)c1C ZINC000026005869 HH Annotated Anodyne O=[S@@]1O[C@H](c2ccccc2)[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000026006867 HH Annotated Mild O=[S@]1O[C@H](c2ccccc2)[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000026006875 HH Annotated Mild CCC1(CC)C(=O)N(COC(=O)Nc2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000026011274 HH Annotated Anodyne CCC1(CC)C(=O)N(COC(=O)Nc2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000026011281 HH Annotated Anodyne O=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)c2cnccc21 ZINC000026016873 HH Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccccc2)(S(=O)(=O)c2ccc3ccccc3c2)S1 ZINC000026024504 HH Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccccc2)(S(=O)(=O)c2ccc3ccccc3c2)S1 ZINC000026024511 HH Annotated Mild Cc1ccc(S(=O)(=O)[C@@]2(CC#Cc3ccccc3Cl)SC(=O)NC2=O)cc1 ZINC000026024558 HH Annotated Mild Cc1ccc(S(=O)(=O)[C@]2(CC#Cc3ccccc3Cl)SC(=O)NC2=O)cc1 ZINC000026024565 HH Annotated Mild Cc1ccc(S(=O)(=O)[C@@]2(CC#Cc3ccc(Cl)cc3)SC(=O)NC2=O)cc1 ZINC000026024996 HH Annotated Mild Cc1ccc(S(=O)(=O)[C@]2(CC#Cc3ccc(Cl)cc3)SC(=O)NC2=O)cc1 ZINC000026025003 HH Annotated Mild O=C(/C=C/c1ccc(OCc2nccs2)cc1)c1cc(-c2nn[nH]n2)ccc1O ZINC000026025895 HH Annotated Mild Cc1cccc(S(=O)(=O)[C@@]2(CC#Cc3ccc(Cl)cc3)SC(=O)NC2=O)c1 ZINC000026026299 HH Annotated Mild Cc1cccc(S(=O)(=O)[C@]2(CC#Cc3ccc(Cl)cc3)SC(=O)NC2=O)c1 ZINC000026026305 HH Annotated Mild O=S(=O)(c1ccc(Cl)cc1)[C@H](Cc1ccccc1)S(=O)(=O)C(F)(F)F ZINC000026028685 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)[C@@H](Cc1ccccc1)S(=O)(=O)C(F)(F)F ZINC000026028693 HH Annotated Anodyne CN(C)CCCOc1cc(C(=O)Nc2ccc3[nH]ccc3c2)n(Cc2ccccc2)n1 ZINC000026028762 HH Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@]2(CC#Cc3cccc(Cl)c3)SC(=O)NC2=O)cc1 ZINC000026028877 HH Annotated Mild Cc1ccc(S(=O)(=O)[C@]2(CC#Cc3cccc(Cl)c3)SC(=O)NC2=O)cc1 ZINC000026028886 HH Annotated Mild NC(N)=Nc1nc(C(=O)Nc2nc3ccc(Cl)c(C(F)(F)F)c3s2)cs1 ZINC000026146040 HH Annotated Mild C[C@@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N)cc1)c1ccccc1 ZINC000026157099 HH Annotated Anodyne C[C@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N)cc1)c1ccccc1 ZINC000026157106 HH Annotated Anodyne C[C@@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N)cc1)c1ccccc1 ZINC000026157113 HH Annotated Anodyne C[C@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(N)cc1)c1ccccc1 ZINC000026157121 HH Annotated Anodyne CC(=O)N(C)c1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3ccccc35)cc2c1 ZINC000026161767 HH Annotated Mild CCN(CC)CCN1C(=O)[C@@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21 ZINC000026167204 HH Annotated Anodyne CCN(CC)CCN1C(=O)[C@H](O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21 ZINC000026167209 HH Annotated Anodyne CCN(CC)C(=O)N(C)CC(=O)c1cccc(OCc2nc3ccccc3n2C)c1 ZINC000026181798 HH Annotated Anodyne CCN(CC)C(=O)N(C)C[C@H](O)c1cccc(OCc2nc3ccccc3n2C)c1 ZINC000026185437 HH Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3csc(C#N)c3)c(F)c2)C(=O)O1 ZINC000026255828 HH Annotated Mild CCN(CC)CCn1c2cc(Cl)c(N)cc2c(=O)c2c(OC)cc(OC)cc21 ZINC000026263438 HH Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(/C=C(\Br)c3ccco3)c(F)c2)C(=O)O1 ZINC000026264056 HH Annotated Anodyne CN(CC[C@@H]1CN(C)C(=S)c2cc(Br)cnc2O1)Cc1ccccc1 ZINC000026279175 HH Annotated Anodyne CN(CC[C@H]1CN(C)C(=S)c2cc(Br)cnc2O1)Cc1ccccc1 ZINC000026279180 HH Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc(/C=C/C[N+](=O)[O-])nn2CC2CCCCC2)cc1 ZINC000026288605 HH Annotated Bother COc1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)cn2C)cc1 ZINC000026296640 HH Annotated Anodyne N#Cc1ccc(NC(=S)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000026375989 HH Annotated Mild O=S(=O)(/N=C(/NO)Nc1ccc(Cl)cc1)c1ccc(-c2cccs2)cn1 ZINC000026379035 HH Annotated Mild COc1ccc2c3oc(C(=O)N4CCOCC4)cc3n(C(=O)OCC(C)C)c2c1 ZINC000026379896 HH Annotated Anodyne O=C(CCCOc1ccc(Cl)cc1Cl)N[C@]1(C(=O)NO)CCc2ccccc21 ZINC000026381037 HH Annotated Bother O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@]1(C(=O)NO)CCc2ccccc21 ZINC000026381040 HH Annotated Bother CCOC(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 ZINC000026381155 HH Annotated Anodyne C[C@@H](OC(=O)Cc1ccccc1)[C@H]1C(=O)N2S/C(=C/C(=O)OC(C)(C)C)S[C@H]12 ZINC000026383358 HH Annotated Anodyne CCCCOC(=O)n1c2cc(OC)ccc2c2oc(C(=O)N3CCOCC3)cc21 ZINC000026384970 HH Annotated Anodyne CC[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@]3(O)[C@@H](O[N+](=O)[O-])C[C@]12C ZINC000026392529 HH Annotated Anodyne CN1[C@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@@H]1CN(Cc1ccccc1)C2 ZINC000026393107 HH Annotated Anodyne CCOC(=O)Nc1nc(NC(=O)OCC)c2c(c1N)N[C@@H](C)C(c1ccccc1)=N2 ZINC000026401459 HH Annotated Anodyne Cc1cccc([C@H]2CC(=O)N(Cc3cccnc3)[C@H](c3ccc(O)cc3)[C@H]2[N+](=O)[O-])c1 ZINC000026489530 HH Annotated Bother NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2n[nH]c3cc(F)ccc23)CC1 ZINC000026493953 HH Annotated Anodyne NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2n[nH]c3cc(F)ccc23)CC1 ZINC000026493957 HH Annotated Anodyne C=CC[C@]1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000026494774 HH Annotated Mild C=CC[C@@]1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000026494778 HH Annotated Mild Cc1nc2sc3c(c2c2nn(Cc4ccccc4)c(O)c12)CCC1(C3)OCCO1 ZINC000026495642 HH Annotated Anodyne O=C1C[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1 ZINC000026496508 HH Annotated Bother COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccc(C#N)cc1 ZINC000261072808 HH Annotated Mild C[C@H]1CC[C@H](COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CC1 ZINC000261073305 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2C3CC4CC(C3)CC2C4)cc1F ZINC000261078665 HH Annotated Anodyne CC1(C)[C@H](NC(=O)c2cnc3ncccn23)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 ZINC000261080398 HH Annotated Mild CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl ZINC000261088861 HH Annotated Anodyne CC(C)[C@@H]1CC[C@@H](Oc2cc(F)c(C(=O)NS(=O)(=O)N(C)C)cc2Cl)CC1 ZINC000261098705 HH Annotated Anodyne COC(=O)CN1C(=O)C2(CCN([C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)c2ccccc21 ZINC000261102720 HH Annotated Anodyne COC(=O)CN1C(=O)C2(CCN([C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)c2ccccc21 ZINC000261102724 HH Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(C)on3)c2cn1)c1ccc(F)cc1 ZINC000261103143 HH Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261104015 HH Annotated Anodyne O=C(Nc1ncc(-c2cc(F)cc(F)c2)cn1)[C@H]1CC[C@@H](N2CCCC2=O)CC1 ZINC000261109981 HH Annotated Anodyne CCOC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(C)on3)c2cn1)c1ccccc1 ZINC000261111385 HH Annotated Anodyne O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)[C@H]1CC[C@@H](N2CCNC2=O)CC1 ZINC000261113487 HH Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc([C@@H]3CC3(F)F)c2cn1)c1ccc(F)cc1 ZINC000261127322 HH Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc([C@H]3CC3(F)F)c2cn1)c1ccc(F)cc1 ZINC000261127323 HH Annotated Anodyne CCn1nc2c(c1C)[C@H](c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261127987 HH Annotated Anodyne CCn1nc2c(c1C)[C@@H](c1ccc(Cl)cc1F)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261127988 HH Annotated Anodyne COC[C@@H](NC(=O)Nc1ncc2c(-c3ccnc(C)c3)n[nH]c2c1F)c1ccccc1 ZINC000261128123 HH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3C[C@H]3C2)cc1F ZINC000261128624 HH Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3C[C@H]3C2)cc1F ZINC000261128627 HH Annotated Anodyne NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2cccc(Cl)c2)c1=O ZINC000261131179 HH Annotated Clean CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCC3(CCC3)CC2)cc1F ZINC000261131186 HH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)C2 ZINC000261133265 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)C2 ZINC000261133269 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@H](Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)C2 ZINC000261133272 HH Annotated Anodyne C[C@@H]1[C@@H](Oc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)C[C@H]2C[C@@H]1C2(C)C ZINC000261133525 HH Annotated Anodyne NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccc(Cl)cc2)c1=O ZINC000261136247 HH Annotated Clean Cc1cc(Oc2nccc(C)c2OC(F)F)ccc1-c1c(C)c(O)nc(=O)n1C ZINC000261137746 HH Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(C#N)nc3)c2cn1)c1ccc(F)cc1 ZINC000261147396 HH Annotated Mild O=C(Nc1cnc(-c2cc(F)cc(F)c2)cn1)[C@H]1CC[C@@H](N2CCCC2=O)CC1 ZINC000261147787 HH Annotated Anodyne CC1(C)[C@@H]2CC[C@@H](COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)[C@H]1C2 ZINC000261152301 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@H](COc3cc(F)c(C(=O)NS(C)(=O)=O)cc3Cl)[C@@H]1C2 ZINC000261152302 HH Annotated Anodyne CCn1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@H]2c1ccc(F)cc1F ZINC000261155847 HH Annotated Anodyne CCn1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@@H]2c1ccc(F)cc1F ZINC000261155849 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C(F)F)CCCCC2)cc1F ZINC000261158092 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1F ZINC000261162381 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1F ZINC000261162383 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2C[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2)cc1F ZINC000261162385 HH Annotated Anodyne COc1c(F)cccc1C(=O)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261166253 HH Annotated Anodyne CCn1nc2c(c1C)[C@H](c1ccc(F)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261168650 HH Annotated Anodyne CCn1nc2c(c1C)[C@@H](c1ccc(F)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261168651 HH Annotated Anodyne Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261172299 HH Annotated Anodyne Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1F)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261172301 HH Annotated Anodyne Cc1cc(Oc2ncccc2OC(F)(F)F)ccc1-c1c(C)c(O)nc(=O)n1C ZINC000261172652 HH Annotated Anodyne COC[C@@H](NC(=O)Nc1ncc2c(-c3ccnc(F)c3)n[nH]c2c1F)c1ccccc1 ZINC000261175824 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C3CC4CC(C3)CC2C4)cc1F ZINC000261176990 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CCCC(F)(F)C2)cc1F ZINC000261180475 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2CCCC(F)(F)C2)cc1F ZINC000261180480 HH Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1)c1ccc(F)cc1 ZINC000261180999 HH Annotated Anodyne COCCO[C@@H]1CC[C@@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 ZINC000261185109 HH Annotated Anodyne CCn1nc(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1F ZINC000261187993 HH Annotated Anodyne CCn1nc(C)c2c1C(=O)N(c1cc(C)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1F ZINC000261187995 HH Annotated Anodyne [C-]#[N+][C@H]1C[C@@H](C(C)(C)O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000261189318 HH Annotated Reactive CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1F ZINC000261189954 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@@H]2C[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2)cc1F ZINC000261189955 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@]23CCCC[C@H]2C3(F)F)cc1F ZINC000261190779 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@]23CCCC[C@@H]2C3(F)F)cc1F ZINC000261190780 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@]23CCCC[C@H]2C3(F)F)cc1F ZINC000261190781 HH Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@]23CCCC[C@@H]2C3(F)F)cc1F ZINC000261190783 HH Annotated Anodyne O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(Cl)cc2)C1 ZINC000261191798 HH Annotated Anodyne COC(=O)[C@]1(O)C[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N1c1ccc(F)cc1 ZINC000263590269 HH Annotated Anodyne COC(=O)[C@]1(O)C[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N1c1ccc(F)cc1 ZINC000263590270 HH Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1 ZINC000263590277 HH Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)c1 ZINC000263590278 HH Annotated Anodyne CCCc1ccc(S(=O)(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)cc1 ZINC000263590321 HH Annotated Anodyne CCCc1ccc(S(=O)(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 ZINC000263590322 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)Oc3ccccc3)O[C@@H]3CCCC[C@H]32)cc1 ZINC000263590517 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccs3)O[C@@H]3CCCC[C@H]32)cc1 ZINC000263590557 HH Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NN=C2c3ccccc3[C@H]3Cc4csc[n+]4[C@@H]23)c(C)c1 ZINC000263591058 HH Annotated Mild CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@@]2(O)C(C)=O)[C@H]2CC[C@H]3[C@H](Cl)C(=O)CC[C@]3(C)[C@H]12 ZINC000263591119 HH Annotated Reactive CC(=O)O[C@@H]1C[C@@]2(C)[C@H](CC[C@@]2(O)C(C)=O)[C@H]2CC[C@H]3[C@H](Cl)C(=O)CC[C@]3(C)[C@H]12 ZINC000263591120 HH Annotated Reactive CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@@]2(O)C(C)=O)[C@H]2CC[C@H]3[C@H](Cl)C(=O)CC[C@]3(C)[C@H]12 ZINC000263591121 HH Annotated Reactive CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@@]2(O)C(C)=O)[C@H]2CC[C@H]3[C@H](Cl)C(=O)CC[C@]3(C)[C@H]12 ZINC000263591122 HH Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@]2(C)[C@H](C(C)=O)[C@@H](N4CC4)C[C@H]32)C1 ZINC000263591339 HH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@H](C(C)=O)[C@@H](N4CC4)C[C@H]32)C1 ZINC000263591340 HH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@]2(C)[C@H](C(C)=O)[C@H](N4CC4)C[C@H]32)C1 ZINC000263591341 HH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4C[C@@H](N5CC5)[C@@H](C(C)=O)[C@@]4(C)CC(=O)[C@H]32)C1 ZINC000263591378 HH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4C[C@H](N5CC5)[C@@H](C(C)=O)[C@@]4(C)CC(=O)[C@H]32)C1 ZINC000263591379 HH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2C(=O)C[C@@]2(C)[C@H](C(C)=O)[C@@H](N4CC4)C[C@H]32)C1 ZINC000263591380 HH Annotated Anodyne CC(C)(C)C(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]4C[C@@H](O)C(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000263591539 HH Annotated Mild CC(C)(C)C(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]4C[C@@H](O)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000263591540 HH Annotated Mild O=C1/C(=C\c2ccccc2)[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]46 ZINC000263591642 HH Annotated Anodyne O=C1/C(=C\c2ccccc2)[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@@H]2[C@H]3C[C@@H]46 ZINC000263591643 HH Annotated Anodyne O=C1/C(=C\c2ccccc2)[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@@H]5[C@@H]2[C@H]3C[C@@H]46 ZINC000263591644 HH Annotated Anodyne O=C1/C(=C\c2ccccc2)[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@@H]5[C@H]2[C@H]3C[C@@H]46 ZINC000263591645 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc6ccccc6cc54)[C@H]3N2C)o1 ZINC000263591779 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc6ccccc6cc54)[C@H]3N2C)o1 ZINC000263591780 HH Annotated Anodyne CN1[C@H](C(=O)NCc2ccco2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 ZINC000263591847 HH Annotated Anodyne CN1[C@H](C(=O)NCc2ccco2)C[C@@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@H]21 ZINC000263591848 HH Annotated Anodyne c1cnc2ccc([C@@H](c3nnnn3C3CCCCC3)N3CCN4CCC[C@H]4C3)cc2c1 ZINC000263592284 HH Annotated Anodyne C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@@H]4O)cc3)c(C)c2c1 ZINC000263608348 HH Annotated Anodyne C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)cc3)c(C)c2c1 ZINC000263608349 HH Annotated Anodyne CCCCN1C(=O)c2cc(OC)c(OC)cc2[C@H]2C(=O)c3cc4c(cc3[C@H]21)OCO4 ZINC000026500609 HH Annotated Anodyne CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 ZINC000026503819 HH Annotated Anodyne COc1cccc2c(NCCC[N+](C)(C)[O-])c3c([N+](=O)[O-])ccc(OC)c3nc12 ZINC000026506077 HH Annotated Clean O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OCc1cccs1 ZINC000026569298 HH Annotated Clean CCN(CC)C(=O)Cn1c(=O)c(-c2ccc(OC)cc2)cc2c(OC)cc(OC)cc21 ZINC000026572275 HH Annotated Anodyne CCCC[C@@H](CC(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O ZINC000026574797 HH Annotated Anodyne CCCC[C@H](CC(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O ZINC000026574799 HH Annotated Anodyne CCOC(=O)c1nc(O)c2cc3cc(OC)c(OCc4ccccc4)cc3nc2n1 ZINC000026579225 HH Annotated Bother CCOC(=O)c1nc(O)c2cc3cc(OCc4ccccc4)c(OC)cc3nc2n1 ZINC000026579226 HH Annotated Bother COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H]2CCc3ccccc32)cc1OC ZINC000026579582 HH Annotated Anodyne COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@H]2CCc3ccccc32)cc1OC ZINC000026579583 HH Annotated Anodyne COc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ccccc3c2=O)cc1OC ZINC000026579931 HH Annotated Anodyne COc1ccc(S(=O)(=O)N(Cc2ccccn2)[C@@H]2CCc3ccccc32)cc1OC ZINC000026580142 HH Annotated Anodyne COc1ccc(S(=O)(=O)N(Cc2ccccn2)[C@H]2CCc3ccccc32)cc1OC ZINC000026580143 HH Annotated Anodyne C=C1C[C@@](COc2cc(C(=O)O)n(C)n2)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000026722905 HH Annotated Mild C=C1C[C@](COc2cc(C(=O)O)n(C)n2)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000026722914 HH Annotated Mild COCC(=O)N(c1ccccc1OC)[C@@H]1CCN(CCc2cccs2)C[C@@H]1C ZINC000026732292 HH Annotated Anodyne COCC(=O)N(c1ccccc1OC)[C@H]1CCN(CCc2cccs2)C[C@@H]1C ZINC000026732296 HH Annotated Anodyne COc1ccc(/C=C2\CN(C)Cc3c2[nH]c(=O)c(C#N)c3-c2ccc(OC)cc2)cc1 ZINC000026735984 HH Annotated Mild CO[C@H]1C[C@@H](N(C)C(=O)Cc2cccc3sccc23)[C@@H](N2CCCC2)C[C@H]1OC ZINC000026738312 HH Annotated Anodyne COc1c(Br)cc2cc1Oc1ccc(cc1)C[C@H](O)COC(=O)CC2 ZINC000026748658 HH Annotated Anodyne COc1c(Br)cc2cc1Oc1ccc(cc1)C[C@@H](O)COC(=O)CC2 ZINC000026748662 HH Annotated Anodyne COc1cc2c(CCCN)c3cc(OC)c(OC)cc3c(CCCN)c2cc1OC ZINC000026752934 HH Annotated Bother Cc1n(CCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1Cc1ccccc1 ZINC000026819791 HH Annotated Anodyne CCCCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)N(CC)CC)C2)cc1 ZINC000026821064 HH Annotated Anodyne CCCCOC(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)N(CC)CC)C2)cc1 ZINC000026821068 HH Annotated Anodyne O=C1c2ccccc2-n2c(nc3cccnc32)CN1C[C@@H]1CCCN2CCCC[C@H]12 ZINC000026822091 HH Annotated Anodyne Cc1cc2c(cc1C(=O)N1CCC(N(C)CCc3ccccc3)CC1)CCC(=O)N2 ZINC000026824655 HH Annotated Anodyne N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4cccs4)CC3)C2=O)c1 ZINC000026825367 HH Annotated Anodyne CCc1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc2c1NC(=O)CC2 ZINC000026827076 HH Annotated Anodyne CCCSc1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)N3CCCC3)cc1)[n+]2C ZINC000026827339 HH Annotated Mild CN(C)CCN1C(=O)c2c(NC(=O)C(C)(C)C)ccc3cc4c(c(c23)C1=O)CCCC4 ZINC000026829199 HH Annotated Anodyne CN(C)CCN1C(=O)c2cc(NC(=O)C(C)(C)C)cc3cc4c(c(c23)C1=O)CCCC4 ZINC000026831278 HH Annotated Anodyne C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000026841687 HH Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[n+](C)c2ccccc12 ZINC000026844069 HH Annotated Clean CS(=O)(=O)Nc1ccc(Nc2c3ccc(N)cc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026848544 HH Annotated Clean COc1cc2nc3c(c(-c4cc(OC)c(OC)c(OC)c4)c2cc1OC)C(=O)OC3 ZINC000026939243 HH Annotated Anodyne Cc1ccc(C(=O)CN2c3ccccc3C(=O)N(Cc3ccccc3)S2(=O)=O)cc1 ZINC000026969185 HH Annotated Anodyne CN(C)CCCNc1onc2c1C(=O)/C(=N\c1ccc(C(F)(F)F)cc1)C=C2O ZINC000026971904 HH Annotated Mild O=C(Cc1cccnc1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000026983434 HH Annotated Reactive O=C(Cc1ccncc1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000026985763 HH Annotated Reactive COc1ccc(S[C@@H]2CC(=O)O[C@@H](C)CCC/C=C/[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1 ZINC000026987738 HH Annotated Anodyne CC1(C)CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O ZINC000026988850 HH Annotated Anodyne CCOC(=O)CN(C(=O)c1cc(Cl)cc(Cl)c1OC(C)=O)C1CCCC1 ZINC000026989192 HH Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(O)cc2)CC(=O)O1 ZINC000026991642 HH Annotated Anodyne COc1cc2c(cc1OC)-c1cnc3cc4c(cc3c1N(CCN(C)C)C2)OCO4 ZINC000027079299 HH Annotated Clean CC(=O)C(=C[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12)C(C)=O ZINC000027081115 HH Annotated Mild C[C@@H]1CN(CCCn2nc3ccccn3c2=O)C(C)(C)CN1c1cccc(Cl)c1 ZINC000027091203 HH Annotated Anodyne C[C@H]1CN(CCCn2nc3ccccn3c2=O)C(C)(C)CN1c1cccc(Cl)c1 ZINC000027091208 HH Annotated Anodyne CN(C)CCC/N=C1\C[C@@H](c2ccncc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027096985 HH Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccncc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027096992 HH Annotated Mild C[C@H]1CC[C@H]2[C@@H](CN3CCCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@H](N3CCCCC3)[C@@H]12 ZINC000027099214 HH Annotated Anodyne C[C@H]1CC[C@H]2[C@@H](CN3CCCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@@H](N3CCCCC3)[C@@H]12 ZINC000027099218 HH Annotated Anodyne CCN(CC)CCn1[nH]c2c3cc(OC(C)=O)ccc3nc3c([N+](=O)[O-])ccc1c32 ZINC000027102324 HH Annotated Bother COc1cc2c3c(cc4cc(OC)c(O)c(OC)c4c3c1)N(CCCN(C)C)C2=O ZINC000027102715 HH Annotated Bother COc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1S(C)(=O)=O ZINC000027109514 HH Annotated Anodyne Cc1ncnc2c1ncn2COC(COCc1ccccc1)COCc1ccccc1 ZINC000027181110 HH Annotated Anodyne O=S(=O)(O)c1cccc2c1[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027181187 HH Annotated Anodyne O=S(=O)(O)c1cccc2c1[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 ZINC000027181191 HH Annotated Anodyne Cc1nc2c([nH]1)C(O)=C(Cl)/C(=N\c1ccc(I)cc1)C2=O ZINC000027181580 HH Annotated Mild [N-]=[N+]=NCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3 ZINC000027191977 HH Annotated Clean CCC1(CC)C(=O)N(C(=O)NCc2ccsc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027195343 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccsc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027195349 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2C)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027205230 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2C)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027205236 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027205835 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027205841 HH Annotated Anodyne COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCN(C)CC3)c2c1 ZINC000027205956 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)cc2)[C@@H]1Oc1ccc(CC(=O)O)cc1 ZINC000027207757 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)cc2)[C@H]1Oc1ccc(CC(=O)O)cc1 ZINC000027207761 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(F)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027208879 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(F)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027208882 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027210145 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027210149 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2cccs2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027210574 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2cccs2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027210577 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2cccc(C)c2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027210952 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2cccc(C)c2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027210954 HH Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccccc2N)CC(=O)O1 ZINC000027308281 HH Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2cccc(N)c2)CC(=O)O1 ZINC000027309363 HH Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](Sc2ccc(N)cc2)CC(=O)O1 ZINC000027310445 HH Annotated Anodyne CCCCCCC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027312009 HH Annotated Anodyne CCCCC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027321385 HH Annotated Anodyne COC(=O)NC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NC(=O)OC)cc3)o2)cc1 ZINC000027322869 HH Annotated Anodyne C#CCNC(=N)c1ccc(C(=O)Nc2ccc3c(c2)C[C@H](CC(=O)OCC)CC3)cc1 ZINC000027327950 HH Annotated Mild C#CCNC(=N)c1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](CC(=O)OCC)CC3)cc1 ZINC000027327954 HH Annotated Mild COC(=O)Nc1nc2cc(C(=O)c3cc(CC(=O)OC(C)(C)C)cs3)ccc2[nH]1 ZINC000027411070 HH Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(N(CCCl)CCCl)cc2)cc1 ZINC000027413177 HH Annotated Reactive CC(C)c1csc(/C=C/c2cccc(NC(=O)[C@H]3OC(C)(C)O[C@@H]3C(=O)O)c2)n1 ZINC000027423742 HH Annotated Anodyne CC(C)c1csc(/C=C/c2cccc(NC(=O)[C@@H]3OC(C)(C)O[C@H]3C(=O)O)c2)n1 ZINC000027424091 HH Annotated Anodyne CNC(=O)/C=C(\c1ccc(C)cc1)c1ccc2nc(N)c(-c3ccc(F)cc3)n2n1 ZINC000027439251 HH Annotated Anodyne CNC(=O)/C=C(/c1ccc(C)cc1)c1ccc2nc(N)c(-c3ccc(F)cc3)n2n1 ZINC000027442069 HH Annotated Anodyne Cc1c(N2CCc3ccccc3C2)c([N+](=O)[O-])cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027518949 HH Annotated Bother CS(=O)(=O)N1C[C@@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 ZINC000027521557 HH Annotated Anodyne CS(=O)(=O)N1C[C@H](COc2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)cc1 ZINC000027521769 HH Annotated Anodyne O=[N+]([O-])c1ccc(NN=C2c3ccccc3S(=O)c3ccccc32)c([N+](=O)[O-])c1 ZINC000027523091 HH Annotated Mild COC(=O)C[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)OC)c(C(=O)OC)cc3C=C[C@@H]21 ZINC000027524421 HH Annotated Anodyne COC(=O)C[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)OC)c(C(=O)OC)cc3C=C[C@H]21 ZINC000027524422 HH Annotated Anodyne CC1CCN(c2nc3sc4c(N5CCC(C)CC5)nnnc4c3cc2C#N)CC1 ZINC000027524517 HH Annotated Mild COC(=O)c1cc2c(c(C)c1C(=O)OC)C=C[C@@H]1[C@@](C)(C(=O)OC)CCC[C@]21C ZINC000027525265 HH Annotated Anodyne COC(=O)c1cc2c(c(C)c1C(=O)OC)C=C[C@H]1[C@@](C)(C(=O)OC)CCC[C@]21C ZINC000027525266 HH Annotated Anodyne CC(=O)Oc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN3CCCC3)c2c1 ZINC000027526957 HH Annotated Bother CCN(CC)CCn1[nH]c2c3cc(OC)cc(OC)c3nc3c([N+](=O)[O-])ccc1c32 ZINC000027527057 HH Annotated Bother CCN(CC)CCn1[nH]c2c3cc(OC)c(OC)cc3nc3c([N+](=O)[O-])ccc1c32 ZINC000027527105 HH Annotated Bother CN1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccc(Br)cc2)N3)C1 ZINC000027527756 HH Annotated Anodyne CCN(CC)CCn1[nH]c2c3c(OC)cc(OC)cc3nc3c([N+](=O)[O-])ccc1c32 ZINC000027548295 HH Annotated Bother CN(C)C1=C(Nc2cccc(I)c2)C(=O)c2ccccc2C1=O ZINC000027548803 HH Annotated Anodyne CC1(C)Oc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000027554950 HH Annotated Mild CC1(C)Oc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2[C@H](N2CCCC2=O)[C@@H]1O ZINC000027554951 HH Annotated Mild CCCCN(Cc1ccccc1-n1ncnn1)c1nc2nc3ccccc3n2s1 ZINC000027558373 HH Annotated Anodyne C[C@@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027559619 HH Annotated Anodyne C[C@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027559621 HH Annotated Anodyne C[C@@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027559623 HH Annotated Anodyne C[C@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027559625 HH Annotated Anodyne COc1ccc(-c2nc(Cn3ccnc3C)nc3cc(OC)c(OC)cc23)cc1OC ZINC000027562357 HH Annotated Anodyne CCC[C@@H]1CCC[C@H](/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]1COC(=O)C(C)(C)CC ZINC000027563438 HH Annotated Anodyne CCCCOP(=O)(OCCCC)OCN1C(=O)[C@@H](CC(C)C)CS1(=O)=O ZINC000027626365 HH Annotated Anodyne CCCCOP(=O)(OCCCC)OCN1C(=O)[C@H](CC(C)C)CS1(=O)=O ZINC000027626371 HH Annotated Anodyne CC(=O)Nc1ccc2[nH]cc(-c3csc(/N=C(\N)NCc4ccccc4)n3)c2c1 ZINC000027630121 HH Annotated Mild CC[C@@H](O)CN(C(=O)CCCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000027633030 HH Annotated Anodyne CC[C@H](O)CN(C(=O)CCCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000027633036 HH Annotated Anodyne CC(C)NC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 ZINC000027634471 HH Annotated Reactive COC(=O)c1ccc2[nH]cc(-c3csc(/N=C(\N)NCc4ccccc4)n3)c2c1 ZINC000027635292 HH Annotated Mild CN(Cc1n[nH]c(=O)[nH]1)[C@H](COCc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000027639171 HH Annotated Anodyne CC(=O)Oc1cccc2c1[C@@H](OC(C)=O)[C@H]1O[C@H]1C21Oc2cccc3cccc(c23)O1 ZINC000027647603 HH Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)c4ccccc4F)C=C[C@@]31CCN(C)C2 ZINC000027654786 HH Annotated Anodyne CC1=C(C(=O)Nc2c(Br)cccc2Br)SC2=NCCN21 ZINC000027656582 HH Annotated Anodyne CCOCCOC(=O)/C(O)=N/c1nc(-c2c(-c3ccccc3)noc2C)cs1 ZINC000027657204 HH Annotated Mild CCOCCOC(=O)/C(O)=N/c1nc(-c2cc(OCc3ccccc3)no2)cs1 ZINC000027708258 HH Annotated Mild CCN(CC)CCN(C(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000027716747 HH Annotated Anodyne O=C(OC[C@H](CO)OC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000027722298 HH Annotated Anodyne CCn1cc2c3c(cccc31)[C@H]1C[C@@H](NC(=O)C3CCC(OC)CC3)CN(C)[C@@H]1C2 ZINC000027727348 HH Annotated Clean COc1ccc(CCNCC[C@@H]2OCCCc3cc(OC)c(OC)cc32)cc1OC ZINC000027729122 HH Annotated Anodyne COc1ccc(CCNCC[C@H]2OCCCc3cc(OC)c(OC)cc32)cc1OC ZINC000027729129 HH Annotated Anodyne CCOc1cc2oc(=O)c3c(c2cc1OCC)CCN(C[C@@H](C)N1CCCCC1)C3 ZINC000027732758 HH Annotated Anodyne CCOc1cc2oc(=O)c3c(c2cc1OCC)CCN(C[C@H](C)N1CCCCC1)C3 ZINC000027732763 HH Annotated Anodyne COc1ccc2c(c1)CCN1C[C@H]3CCCN(S(=O)(=O)c4cccs4)[C@@H]3C[C@@H]21 ZINC000027749329 HH Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@@H]3SCC(=O)N3[C@@H](CO)C(=O)O)c2)cc1 ZINC000027844157 HH Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@H]3SCC(=O)N3[C@@H](CO)C(=O)O)c2)cc1 ZINC000027844164 HH Annotated Anodyne O=C(CCO[P@](=O)(NCCCl)N(CCCl)CCCl)c1ccccc1 ZINC000027847369 HH Annotated Reactive O=C(CCO[P@@](=O)(NCCCl)N(CCCl)CCCl)c1ccccc1 ZINC000027847373 HH Annotated Reactive O=C1[C@H]([S@@](=O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000027848703 HH Annotated Anodyne O=C1[C@H]([S@](=O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000027848710 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc([S@@](C)=O)cc1 ZINC000027863259 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc([S@@](C)=O)cc1 ZINC000027863262 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc([S@](C)=O)cc1 ZINC000027863266 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc([S@](C)=O)cc1 ZINC000027863272 HH Annotated Anodyne O=C1[C@@H]([S@@](=O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000027864035 HH Annotated Anodyne O=C1[C@@H]([S@](=O)CCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000027864042 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccccc1NC(C)=O ZINC000027866964 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccccc1NC(C)=O ZINC000027866970 HH Annotated Anodyne COc1cccc2c1ccc1nc3cc(Cl)cc(C(=O)NCCN(C)C)c3nc12 ZINC000027867782 HH Annotated Clean CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1OCc1ccc(C(=O)O)cc1 ZINC000027868037 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1OCc1ccc(C(=O)O)cc1 ZINC000027868041 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccccc1CC(=O)O ZINC000027873063 HH Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccccc1CC(=O)O ZINC000027873069 HH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1CC(F)(F)F ZINC000027875865 HH Annotated Anodyne Nc1ccccc1NC(=O)/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000027881937 HH Annotated Mild CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2scnc2C)CC1 ZINC000027893149 HH Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@@H](O)c2ccc(C)o2)CC1 ZINC000027894552 HH Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@H](O)c2ccc(C)o2)CC1 ZINC000027894558 HH Annotated Anodyne CN(Cc1cccc2ccccc12)C(=O)[C@@H](O)[C@H](N)CSCC1CCCCC1 ZINC000027899775 HH Annotated Anodyne CC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OCC(=O)O)c(Cl)c1Cl)C2 ZINC000027899856 HH Annotated Mild CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OCC(=O)O)c(Cl)c1Cl)C2 ZINC000027899858 HH Annotated Mild CCc1nn(-c2cccc(F)c2)c2nc(Sc3cccc(C(=O)O)c3)nc(N)c12 ZINC000027901015 HH Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccsc2)CC1 ZINC000027901451 HH Annotated Anodyne CC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)OCCCO)c(Cl)c1Cl)C2 ZINC000027903601 HH Annotated Mild CC[C@]12CCC(=O)C=C1c1c(cc(OCC(=O)OCCCO)c(Cl)c1Cl)C2 ZINC000027903608 HH Annotated Mild CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@@H](O)c2cccs2)CC1 ZINC000027977526 HH Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(C[C@H](O)c2cccs2)CC1 ZINC000027977533 HH Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000027984578 HH Annotated Anodyne CCC/C=C/COc1ccc(C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 ZINC000027992820 HH Annotated Anodyne CCC/C=C/COc1ccc(C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 ZINC000027992826 HH Annotated Anodyne CCN(CC)CCCNC(=O)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1 ZINC000027997894 HH Annotated Bother Cc1cccc(-c2nc(C3CCNCC3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000028000374 HH Annotated Clean CCCCOc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 ZINC000028003348 HH Annotated Anodyne CCCCOc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 ZINC000028003353 HH Annotated Anodyne COc1cc2nc3c(c4c2c(c1OC)NCC4)CCc1cc(OCCCN)ccc1-3 ZINC000028008691 HH Annotated Anodyne CCOCCO/N=C/[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000028012916 HH Annotated Mild C[C@H]1C(SCc2ccccn2)=C(C(=O)O)N2C(=O)[C@H](/C=C/CNc3ccccc3)[C@@H]12 ZINC000028016214 HH Annotated Anodyne COc1ccc2c(c1)-c1nc3cc(OC)c(OC)c4c3c(c1CC2)CCN4C(C)=O ZINC000028016503 HH Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CC#N)C2)[C@]13C(=O)O ZINC000028017036 HH Annotated Mild COc1ccc2c(c1)CCc1c-2nc2cc(OC)c(OC)c3c2c1CCN3C(C)=O ZINC000028018829 HH Annotated Anodyne CCOC(=O)COc1ccc(COc2ccc(O)c(CN)c2)c(Cl)c1Cl ZINC000028020502 HH Annotated Clean CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H]4OCC[C@H]24)[C@]13C(=O)O ZINC000028086787 HH Annotated Mild COc1cc2sc(/C(O)=N/c3nn[nH]n3)c(OCc3ccccc3)c2cc1OC ZINC000028093107 HH Annotated Mild CC(C)N(CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O)C(C)C ZINC000028093881 HH Annotated Mild Cc1csc(-c2cccc(CN3C(=O)c4c(c(O)c5nccnc5c4O)C3=O)c2)c1 ZINC000028096997 HH Annotated Anodyne CC(=O)OCC1(N(C(C)=O)c2ccccc2)CCN(CCc2cccs2)CC1 ZINC000028105688 HH Annotated Anodyne CCc1ccc(/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]c(C)c(C(=O)OC)c24)cc1 ZINC000028107255 HH Annotated Mild CC(C)N(CC#CCN1C(=O)CC2(C1=O)c1ccccc1-c1ccccc12)C(C)C ZINC000028107893 HH Annotated Mild CC(C)OC(=O)c1c(C=O)n(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc12 ZINC000028113937 HH Annotated Anodyne Cc1c(C(=O)OCCCO)cc2ccc3c(c2c1-c1ccc2c(c1)OCO2)OCO3 ZINC000028114525 HH Annotated Anodyne O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc3ccccc3c2)C=C1 ZINC000028115296 HH Annotated Mild O=C1C=C[C@@](O)(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000028115301 HH Annotated Mild O=C1C=C[C@](O)(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000028115307 HH Annotated Mild CCOC(=O)C(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc(C)cc1 ZINC000028115509 HH Annotated Anodyne O=c1[nH]nc(O)c2cc3c(Cl)cc4c(c3c(-c3ccc5c(c3)OCO5)c12)OCO4 ZINC000028117674 HH Annotated Bother COC(=O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C(=O)OC)OCO3 ZINC000028118196 HH Annotated Anodyne O=C(O)c1cc2c(Cl)cc3c(c2c(-c2ccc4c(c2)OCO4)c1CO)OCO3 ZINC000028118225 HH Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@@H](N1CCOCC1)O2 ZINC000028124438 HH Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@H](N1CCOCC1)O2 ZINC000028124444 HH Annotated Anodyne CCc1c(Cc2cc(C)cc(C)c2)n(COC/C=C/c2ccc(O)cc2)c(=O)[nH]c1=O ZINC000028125193 HH Annotated Anodyne Cc1cc(C)cc(Cc2c(C(C)C)c(=O)[nH]c(=O)n2COCc2ccc(O)cc2)c1 ZINC000028127033 HH Annotated Anodyne COc1ccc([C@@H](CCC[C@@H](O)CCc2ccc3c(n2)NCCC3)CC(=O)O)cn1 ZINC000028132569 HH Annotated Anodyne CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccc(S(=O)(=O)O)o1 ZINC000028220704 HH Annotated Anodyne C[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000028222866 HH Annotated Mild O=C(O)COCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000028230573 HH Annotated Anodyne CCCCSc1cc(I)cc(CNCCCN(C)C)c1O ZINC000028237394 HH Annotated Clean N#CCCNCCN(CCNCCC#N)CCNC1CCCCCCCCCCC1 ZINC000028238765 HH Annotated Mild CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccccc1 ZINC000028331915 HH Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(C)CCc1ccccc1 ZINC000028342442 HH Annotated Anodyne C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2ccccc2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028345235 HH Annotated Anodyne CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)NC)c(C(=O)NC)[nH]c1=S ZINC000028351894 HH Annotated Anodyne CC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)NC)c(C(=O)NC)[nH]c1=S ZINC000028351902 HH Annotated Anodyne COc1cc2cc(C(=O)Nc3cc(O)ccc3CCCl)[nH]c2c(OC)c1OC ZINC000028356950 HH Annotated Reactive CCOC(=O)/C=C/C=C/c1cccc(C(=O)c2c(CC)c(C)[nH]c(=O)c2N(C)C)c1 ZINC000028365203 HH Annotated Anodyne O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000028371500 HH Annotated Anodyne Nc1ccc2cccc(OCCCNC(=O)c3cccc(OC(F)(F)F)c3)c2n1 ZINC000028383602 HH Annotated Anodyne CCCCN1C(=O)N(c2ccc(C#N)c(I)c2)C(=O)C1(C)C ZINC000028384400 HH Annotated Mild Cc1cc(N2CCN(C(=O)Nc3nc4ccc(F)cc4s3)CC2)nnc1Cl ZINC000028395736 HH Annotated Anodyne Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccs2)s1 ZINC000028396798 HH Annotated Anodyne Cc1cc(N2CCN(C(=O)Nc3nc4ccc(F)cc4s3)[C@H](C)C2)nnc1Cl ZINC000028455253 HH Annotated Anodyne Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccs2)n1 ZINC000028457556 HH Annotated Anodyne CC(=O)c1c(Br)n([C@H]2C[C@H](O)[C@@H](CO)O2)c2cc(Cl)c(Cl)cc12 ZINC000028460702 HH Annotated Anodyne CCC1(CC)C(=O)N([C@@H]2OC(=O)N(Cc3ccccc3)C2=O)[C@@H]1Oc1ccccc1 ZINC000028461017 HH Annotated Anodyne CCC1(CC)C(=O)N([C@@H]2OC(=O)N(Cc3ccccc3)C2=O)[C@H]1Oc1ccccc1 ZINC000028461019 HH Annotated Anodyne CCC1(CC)C(=O)N([C@H]2OC(=O)N(Cc3ccccc3)C2=O)[C@@H]1Oc1ccccc1 ZINC000028461022 HH Annotated Anodyne CCC1(CC)C(=O)N([C@H]2OC(=O)N(Cc3ccccc3)C2=O)[C@H]1Oc1ccccc1 ZINC000028461025 HH Annotated Anodyne CC(C)CONC(=N)Nc1ccc2c(c1)Cc1cc(/N=C(/N)NOCC(C)C)ccc1-2 ZINC000028465766 HH Annotated Mild Cc1nccn1Cc1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1 ZINC000028520544 HH Annotated Anodyne C[C@@H](CN1C(=O)c2ccccc2C1=O)OC(=S)Nc1ccc(Br)cc1 ZINC000028522020 HH Annotated Anodyne C[C@H](CN1C(=O)c2ccccc2C1=O)OC(=S)Nc1ccc(Br)cc1 ZINC000028522023 HH Annotated Anodyne Cc1ccc(NCC(=O)Nc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000028523092 HH Annotated Anodyne Cc1ccc(CCNC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000028523292 HH Annotated Anodyne COCc1nc2c(=O)n(Cc3ccccc3)nc(C)c2c2cc(-c3ccccc3)nn12 ZINC000028523552 HH Annotated Anodyne O=C1c2ccccc2OC=C(Cl)N1CCCCN1CCC=C(c2ncccn2)C1 ZINC000028524567 HH Annotated Anodyne C=C(C)[C@@H]1CC=C(c2nc(=O)c3c([nH]2)S[C@@H]2CN(C(=O)OCC)CC[C@@H]32)CC1 ZINC000028524606 HH Annotated Mild C=C(C)[C@@H]1CC=C(c2nc(=O)c3c([nH]2)S[C@@H]2CN(C(=O)OCC)CC[C@H]32)CC1 ZINC000028524607 HH Annotated Mild C=C(C)[C@@H]1CC=C(c2nc(=O)c3c([nH]2)S[C@H]2CN(C(=O)OCC)CC[C@@H]32)CC1 ZINC000028524608 HH Annotated Mild C=C(C)[C@@H]1CC=C(c2nc(=O)c3c([nH]2)S[C@H]2CN(C(=O)OCC)CC[C@H]32)CC1 ZINC000028524609 HH Annotated Mild CCOC(=O)N1CC[C@H]2c3c(nc(-c4ccc(SC)cc4)[nH]c3=O)S[C@@H]2C1 ZINC000028524614 HH Annotated Anodyne CCOC(=O)N1CC[C@@H]2c3c(nc(-c4ccc(SC)cc4)[nH]c3=O)S[C@@H]2C1 ZINC000028524615 HH Annotated Anodyne CCOC(=O)N1CC[C@H]2c3c(nc(-c4ccc(SC)cc4)[nH]c3=O)S[C@H]2C1 ZINC000028524616 HH Annotated Anodyne CCOC(=O)N1CC[C@@H]2c3c(nc(-c4ccc(SC)cc4)[nH]c3=O)S[C@H]2C1 ZINC000028524617 HH Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)c4ccncc4C3=O)cc2)cc1C ZINC000028524676 HH Annotated Anodyne Cc1ccc(OCCNC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000028525055 HH Annotated Anodyne N[C@@H](CC(=O)Nc1ccc(-c2ccc(F)c(Cl)c2)c(C(F)(F)F)c1)C(=O)O ZINC000028528162 HH Annotated Anodyne CCOC(=O)[C@@H](Nc1ccc(C(=N)NO)cc1)c1cc(OCC)cc(OCC)c1 ZINC000028529345 HH Annotated Anodyne CCOC(=O)[C@H](Nc1ccc(C(=N)NO)cc1)c1cc(OCC)cc(OCC)c1 ZINC000028529347 HH Annotated Anodyne COc1cc(O)cc(Oc2ncccc2-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)c1 ZINC000028530212 HH Annotated Anodyne COc1ccccc1C(=O)N[C@H](c1nc(-c2nc(C(=O)O)c(C)o2)cs1)C(C)C ZINC000028530407 HH Annotated Anodyne COc1cc(OC)cc(Oc2ncccc2-c2n[nH]c(N(C)c3ccncc3)n2)c1 ZINC000028564124 HH Annotated Anodyne CC(C)(Cc1cc2ccccc2[nH]1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC000028564702 HH Annotated Mild O=C(Nc1ncc(Nc2ncnc3c2NCc2ccccc2O3)cn1)c1ccccc1 ZINC000028564738 HH Annotated Anodyne COC(=O)c1ccc(-c2c(C#N)c(N)nc(Sc3ccc(O)cc3)c2C#N)cc1 ZINC000028566689 HH Annotated Mild COC(=O)c1ccc(Sc2nc(N)c(C#N)c(-c3ccc(O)cc3)c2C#N)cc1 ZINC000028567619 HH Annotated Mild COc1ccc(OCCCc2c(O)nc(Nc3ccc4c(c3)CCC4)[nH]c2=O)cc1 ZINC000028569100 HH Annotated Anodyne O=C(c1ccc2c(-c3ccc(OC(C(=O)O)C(=O)O)cc3)nocc1-2)C1CCCC1 ZINC000028569169 HH Annotated Anodyne CN(c1ccc2c(c1)OCCO2)c1nnc(-c2cccnc2NCc2ccccn2)o1 ZINC000028569689 HH Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2Sc2ccccc2)nc1 ZINC000028569873 HH Annotated Mild Cc1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c(NCc2ccccn2)n1 ZINC000028569955 HH Annotated Anodyne Fc1cnc(NCc2ccccn2)c(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c1 ZINC000028569959 HH Annotated Anodyne CCCCCSc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028570071 HH Annotated Mild N#Cc1ccc(OCCCc2c(O)nc(Nc3ccc4c(c3)CCC4)[nH]c2=O)cc1 ZINC000028570267 HH Annotated Mild O=c1[nH]c(Nc2ccc3c(c2)CCC3)nc(O)c1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000028570332 HH Annotated Bother C[C@@](CC(=O)O)(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccccc1 ZINC000028570594 HH Annotated Anodyne C[C@](CC(=O)O)(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccccc1 ZINC000028570595 HH Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(CCN(C)C)c3ccccc32)nc2ccccc21 ZINC000028570637 HH Annotated Anodyne O=C(O)C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cccc(F)c1 ZINC000028570689 HH Annotated Anodyne O=C(O)C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cccc(F)c1 ZINC000028570690 HH Annotated Anodyne O=C(O)C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccccc1 ZINC000028570869 HH Annotated Anodyne O=C(O)C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccccc1 ZINC000028570870 HH Annotated Anodyne CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1cccc(O)c1)C1CCNCC1 ZINC000028572292 HH Annotated Anodyne CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1)C1CCNCC1 ZINC000028572293 HH Annotated Anodyne CN(C)C(=O)N1Cc2cc(I)ccc2[C@H](c2cccc(O)c2)C1 ZINC000028572511 HH Annotated Anodyne CN(C)C(=O)N1Cc2cc(I)ccc2[C@@H](c2cccc(O)c2)C1 ZINC000028572512 HH Annotated Anodyne Cn1ccnc1-c1ccc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)c1 ZINC000028603961 HH Annotated Clean Cn1cc([C@@H](C(=O)N/C=C/c2ccc(F)cc2)P(=O)(O)O)c2cc(Cl)ccc21 ZINC000028604318 HH Annotated Anodyne Cn1cc([C@H](C(=O)N/C=C/c2ccc(F)cc2)P(=O)(O)O)c2cc(Cl)ccc21 ZINC000028604319 HH Annotated Anodyne COc1ccc(CCN2c3cc(C)ccc3N(C)S(=O)(=O)c3cccnc32)cc1 ZINC000028637519 HH Annotated Anodyne COc1ccc(CCCN2C=CC=C3C2=Nc2ccccc2S(=O)(=O)N3C)cc1 ZINC000028637644 HH Annotated Anodyne COc1ccc(CN2C=CC=C3C2=Nc2cc(Cl)ccc2S(=O)(=O)N3C)cc1 ZINC000028637768 HH Annotated Anodyne COc1ccc(CN2C=CC=C3C2=Nc2ccc(Cl)cc2S(=O)(=O)N3C)cc1 ZINC000028638098 HH Annotated Anodyne COc1ccc(CCCN2C=CC=C3C2=Nc2ccccc2N(C)S3(=O)=O)cc1 ZINC000028638106 HH Annotated Anodyne COc1ccc(CCN2C=CC=C3C2=Nc2cc(C)ccc2S(=O)(=O)N3C)cc1 ZINC000028638374 HH Annotated Anodyne COc1ccc(CCN2C=CC=C3C2=Nc2cc(C)ccc2N(C)S3(=O)=O)cc1 ZINC000028638510 HH Annotated Anodyne COc1ccc2[nH]c([S@@](=O)Cc3nc4cc(OC)ccc4n4cccc34)nc2c1 ZINC000028638912 HH Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3nc4cc(OC)ccc4n4cccc34)nc2c1 ZINC000028638915 HH Annotated Anodyne NS(=O)(=O)c1ccc(/C=C/C(=O)c2c(O)cccc2OCC2CCCCC2)cc1 ZINC000028640830 HH Annotated Mild CCN(CC)CCNC(=O)c1ccc(CNc2nc(=S)[nH]c3ccccc23)cc1 ZINC000028641777 HH Annotated Anodyne COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CCN1C ZINC000028647492 HH Annotated Anodyne in-vivo CCCCCCSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 ZINC000028647647 HH Annotated Anodyne COc1ccc(CN2CC(c3cc(OCc4ccc(F)cc4)ncn3)=C(O)C2=O)cc1 ZINC000028649623 HH Annotated Anodyne CCc1c(C(=O)c2cccc3ccccc23)n(CC#Cc2ccccc2)c(=O)[nH]c1=O ZINC000028652493 HH Annotated Mild C[C@@H](c1cc2ccccc2o1)n1nc(O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O ZINC000028655952 HH Annotated Bother C[C@H](c1cc2ccccc2o1)n1nc(O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O ZINC000028655956 HH Annotated Bother O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(Cc3cc4ccccc4s3)c(=O)c12 ZINC000028655967 HH Annotated Bother O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2cncc(C(=O)O)c2)no1)NO ZINC000028701823 HH Annotated Bother COc1ccc2[nH]c(C)c(CCCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000028704783 HH Annotated Anodyne CCN(CC)CCN[C@@H]1Cc2c(cc(OC)c3c(=O)c4ccccc4oc23)OC1(C)C ZINC000028705728 HH Annotated Bother CCN(CC)CCN[C@H]1Cc2c(cc(OC)c3c(=O)c4ccccc4oc23)OC1(C)C ZINC000028705731 HH Annotated Bother CN(C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C=C([N+](=O)[O-])C(C)(C)O2 ZINC000028705778 HH Annotated Bother CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](N)C(C)(C)O2 ZINC000028705823 HH Annotated Bother CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H](N)C(C)(C)O2 ZINC000028705826 HH Annotated Bother C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3c(CCC(C)(C)O)c(O)c(O)cc3oc12 ZINC000028707615 HH Annotated Mild Cn1c(=O)[nH]c(N2CCC(CCCc3ccccc3)CC2)c(Cc2ccccc2)c1=O ZINC000028708001 HH Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(OCCN(CC)c2cccc(C)c2)cc1)NC(C)=O ZINC000028708268 HH Annotated Anodyne COc1nc2[nH]ccc2cc1C(=O)N1CCc2c(cnn2-c2ccccc2Cl)C1 ZINC000028708573 HH Annotated Anodyne COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)N(C)C)cc2NC3=O)ccc1N ZINC000028710753 HH Annotated Anodyne COc1cc(-c2ccc3c(c2)Nc2cc(CC(=O)N(C)C)ccc2NC3=O)ccc1N ZINC000028710758 HH Annotated Anodyne C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)SC1=S ZINC000028710837 HH Annotated Mild C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(OP(=O)(O)O)cc3)o2)SC1=S ZINC000028710838 HH Annotated Mild CCc1cnc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1 ZINC000028711637 HH Annotated Anodyne O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ncc(Cl)cn2)CC1 ZINC000028711640 HH Annotated Anodyne CC[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000028712940 HH Annotated Anodyne CC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000028712941 HH Annotated Anodyne CC[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000028712942 HH Annotated Anodyne CC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000028712943 HH Annotated Anodyne CC(C)[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000028712944 HH Annotated Anodyne CC(C)[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000028712945 HH Annotated Anodyne CC(C)[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000028712946 HH Annotated Anodyne CC(C)[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000028712947 HH Annotated Anodyne COc1ccc(-n2c3cssc-3c(NC(=O)C(F)(F)F)c2=O)c(OC)c1 ZINC000028714457 HH Annotated Anodyne COc1ccc(-n2c3cssc-3c(NC(=O)c3ccco3)c2=O)c(OC)c1 ZINC000028714466 HH Annotated Anodyne N#CC(/C(O)=N/c1ccccc1)=c1/s/c(=C\c2ccccc2)c(=O)n1-c1ccccc1 ZINC000028726354 HH Annotated Mild CCN(CC)CCCCNc1ccc2c3c(nn2CCO)-c2ccccc2C(=O)c13 ZINC000028757452 HH Annotated Clean CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCCCC3CCCCC3)n2)o1 ZINC000028759080 HH Annotated Mild COCCN(CCOC)c1nc2cc(-c3ccc(OC)cc3)nnc2c2ccccc12 ZINC000028759317 HH Annotated Bother CO[C@]1(c2cc(F)cc(S(=O)(=O)c3ccc(/C(C)=N/O)cc3)c2)CCO[C@@H](C)C1 ZINC000028761721 HH Annotated Mild COc1ccc(-n2c(/C(O)=N/c3nn[nH]n3)c(OC(C)C)c3cc(OC)ccc32)cc1 ZINC000028766204 HH Annotated Mild COC(=O)[C@@H](NC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1OC(C)C)C(C)C ZINC000028771031 HH Annotated Anodyne COC(OC)[C@@H]1OC(C)(C)O[C@@H]1Cc1cnc2cc(C(=O)c3ccccc3)ccc2n1 ZINC000028817399 HH Annotated Anodyne COC(OC)[C@H]1OC(C)(C)O[C@@H]1Cc1cnc2cc(C(=O)c3ccccc3)ccc2n1 ZINC000028817401 HH Annotated Anodyne COC(OC)[C@@H]1OC(C)(C)O[C@H]1Cc1cnc2cc(C(=O)c3ccccc3)ccc2n1 ZINC000028817402 HH Annotated Anodyne COC(OC)[C@H]1OC(C)(C)O[C@H]1Cc1cnc2cc(C(=O)c3ccccc3)ccc2n1 ZINC000028817403 HH Annotated Anodyne COC(OC)[C@@H]1OC(C)(C)O[C@@H]1Cc1cnc2ccc(C(=O)c3ccccc3)cc2n1 ZINC000028817409 HH Annotated Anodyne COC(OC)[C@H]1OC(C)(C)O[C@@H]1Cc1cnc2ccc(C(=O)c3ccccc3)cc2n1 ZINC000028817410 HH Annotated Anodyne COC(OC)[C@@H]1OC(C)(C)O[C@H]1Cc1cnc2ccc(C(=O)c3ccccc3)cc2n1 ZINC000028817411 HH Annotated Anodyne COC(OC)[C@H]1OC(C)(C)O[C@H]1Cc1cnc2ccc(C(=O)c3ccccc3)cc2n1 ZINC000028817413 HH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC/C=C/c3ccccc3)C4)c2n1 ZINC000028817526 HH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC/C=C/c3ccccc3)C4)c2n1 ZINC000028817527 HH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NCCCc3ccccc3)C4)c2n1 ZINC000028817530 HH Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NCCCc3ccccc3)C4)c2n1 ZINC000028817531 HH Annotated Anodyne CC(C)(O)c1[nH]c2cc(C(F)(F)F)c([N+](=O)[O-])cc2c1I ZINC000028818434 HH Annotated Bother O=C1c2cc(Br)c(Br)n2[C@H]2C(Cl)(Cl)[C@]23CCCN13 ZINC000028819703 HH Annotated Anodyne O=C1c2cc(Br)c(Br)n2[C@@H]2C(Cl)(Cl)[C@@]23CCCN13 ZINC000028819705 HH Annotated Anodyne COc1ccc(-c2snnc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000028820897 HH Annotated Bother COc1ccc(-c2nnsc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000028820924 HH Annotated Bother O=c1n(Cc2nc3ccccc3n2CCCCF)c2cnccc2n1CC(F)(F)F ZINC000028821083 HH Annotated Anodyne CCc1c(/N=C2\N=C(N)N3N=C(C(F)(F)F)C[C@]23C)ccc(C#N)c1C(F)(F)F ZINC000028821101 HH Annotated Mild CCc1c(/N=C2\N=C(N)N3N=C(C(F)(F)F)C[C@@]23C)ccc(C#N)c1C(F)(F)F ZINC000028821103 HH Annotated Mild CC[C@@]12CC(C(F)(F)F)=NN1C(N)=N/C2=N\c1ccc(C#N)c(C(F)(F)F)c1 ZINC000028821105 HH Annotated Mild CC[C@]12CC(C(F)(F)F)=NN1C(N)=N/C2=N\c1ccc(C#N)c(C(F)(F)F)c1 ZINC000028821107 HH Annotated Mild N[C@H]1C[C@@H](N2CCn3c(C(F)(F)F)cnc3C2)CC[C@@H]1c1cc(F)c(F)cc1F ZINC000028821160 HH Annotated Anodyne N[C@H]1C[C@@H](N2CCn3c(C(F)(F)F)cnc3C2)CC[C@H]1c1cc(F)c(F)cc1F ZINC000028821162 HH Annotated Anodyne Cc1nc(NCc2cccc(OC(F)(F)F)c2)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821414 HH Annotated Bother Cc1nc(NCc2ccccc2OC(F)(F)F)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821417 HH Annotated Bother Cc1nc(NCc2ccc(C(F)(F)F)cc2F)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821421 HH Annotated Bother O=S1(=O)N=C(Nc2ccc(F)cc2Br)Nc2c(O)cc(Cl)cc21 ZINC000028822695 HH Annotated Anodyne O=S1(=O)N=C(Nc2ccccc2OC(F)(F)F)Nc2c(O)cc(Cl)cc21 ZINC000028822735 HH Annotated Anodyne COc1cc(=O)n(Cc2nc3cc(CN)ccc3n2CCCCF)c2ccccc12 ZINC000028824450 HH Annotated Anodyne O=C(O)c1c(O)c(=O)n(Cc2nc3ccccc3n2CCCCF)c2ccccc12 ZINC000028824453 HH Annotated Anodyne O=c1c2ccccc2n(Cc2nc3ccccc3n2CCCCF)c(=O)n1C1CC1 ZINC000028824466 HH Annotated Anodyne CN1C(=O)N(Cc2nc3ccccc3n2CCCCF)c2ccccc2S1(=O)=O ZINC000028824557 HH Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2CCC(C)(C)[C@@H]3CC=C(CO)[C@H](CO)[C@]32C)cc1 ZINC000028824968 HH Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2CCC(C)(C)[C@H]3CC=C(CO)[C@H](CO)[C@@]23C)cc1 ZINC000028824969 HH Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=O)[C@@]3(C)CC[C@H]2[C@@]1(C)C(=O)O ZINC000028825501 HH Annotated Reactive Cn1nc(-c2ccccc2)c(C=C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1=O ZINC000028825818 HH Annotated Anodyne O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2C[C@@H]3C[C@H]2CN3)ccc1Cl ZINC000028825947 HH Annotated Anodyne O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] ZINC000028827430 HH Annotated Anodyne O=C(c1ccc2ccccc2c1)c1c(C(F)(F)F)[n+]([O-])c2ccc(F)cc2[n+]1[O-] ZINC000028827432 HH Annotated Anodyne O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000028861756 HH Annotated Anodyne CN1CC[C@@H](n2cc(S(=O)(=O)c3cccc(Br)c3)c3cccnc32)C1 ZINC000028862234 HH Annotated Anodyne CN1CC[C@H](n2cc(S(=O)(=O)c3cccc(Br)c3)c3cccnc32)C1 ZINC000028862236 HH Annotated Anodyne O=S(=O)(c1cccc(C(F)(F)F)c1)c1cn([C@@H]2CCCNC2)c2ncccc12 ZINC000028862336 HH Annotated Anodyne O=S(=O)(c1cccc(C(F)(F)F)c1)c1cn([C@H]2CCCNC2)c2ncccc12 ZINC000028862338 HH Annotated Anodyne O=S(=O)(c1cccc(Br)c1)c1cn([C@@H]2CCCNC2)c2ncccc12 ZINC000028862352 HH Annotated Anodyne O=S(=O)(c1cccc(Br)c1)c1cn([C@H]2CCCNC2)c2ncccc12 ZINC000028862354 HH Annotated Anodyne O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1COc1ccccc1 ZINC000028863614 HH Annotated Reactive COc1ccc2c(c1)[n+]([O-])c(C(=O)c1ccc3ccccc3c1)c(C(F)(F)F)[n+]2[O-] ZINC000028865529 HH Annotated Anodyne CC#CC(=O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CC[C@H](c1ccccc1)O3 ZINC000028867355 HH Annotated Mild CC#CC(=O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CC[C@@H](c1ccccc1)O3 ZINC000028867358 HH Annotated Mild COc1cc(OC)c(C2CCN(C)CC2)c(O)c1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000028871225 HH Annotated Mild O=C(O)COCCCC[S@@](=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000028871591 HH Annotated Anodyne O=C(O)COCCCC[S@](=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000028871597 HH Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)cc(C)c(Cl)c2c1OC(C)=O ZINC000028871784 HH Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c(C)cc(Cl)c2c1OC(C)=O ZINC000028871789 HH Annotated Anodyne COC(=O)[C@H](CO)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878386 HH Annotated Anodyne C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](CO)C(=O)O ZINC000028878902 HH Annotated Anodyne C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@H](C(=O)O)[C@@H](C)O ZINC000028878908 HH Annotated Anodyne CC(C)(C)CNc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cc1 ZINC000028883840 HH Annotated Mild Cc1ccc(S(=O)(=O)/N=C2\NC(=O)/C(=C/c3cc(C)c(Cl)s3)S2)cc1 ZINC000028888525 HH Annotated Mild Clc1ccc(COc2ccc(Br)cc2/C=N/NC2=NCCN2)cc1 ZINC000028888901 HH Annotated Mild Cn1c([C@@](C)(O)CS(=O)(=O)Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000028890444 HH Annotated Anodyne Cn1c([C@](C)(O)CS(=O)(=O)Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000028890448 HH Annotated Anodyne COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1 ZINC000028893192 HH Annotated Anodyne COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCOC[C@@H]4C)ccc32)cc1 ZINC000028893199 HH Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@@H](c1ccco1)CC(=O)C[C@H]2c1c[nH]c2ccccc12 ZINC000028893255 HH Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@@H](c1ccco1)CC(=O)C[C@H]2c1ccccc1Cl ZINC000028893298 HH Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@H](c3ccco3)C23C(=O)OC(C)(C)OC3=O)c(C)c1 ZINC000028893327 HH Annotated Anodyne CC(=O)Nc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897224 HH Annotated Anodyne CSc1ccc(-c2cn(C)nc2[C@@H]2CCC(F)(F)C[C@@H]2C(=O)NCC#N)cc1 ZINC000028898070 HH Annotated Mild CSc1ccc(-c2cn(C)nc2[C@H]2CCC(F)(F)C[C@@H]2C(=O)NCC#N)cc1 ZINC000028898074 HH Annotated Mild CSc1ccc(-c2cn(C)nc2[C@H]2CCC(F)(F)C[C@H]2C(=O)NCC#N)cc1 ZINC000028898079 HH Annotated Mild COc1cccc(CN(C)C(=O)N2C[C@@H](N)[C@@H](c3ccc(Cl)cc3Cl)C2)c1 ZINC000028899465 HH Annotated Anodyne COc1cccc(CN(C)C(=O)N2C[C@@H](N)[C@H](c3ccc(Cl)cc3Cl)C2)c1 ZINC000028899470 HH Annotated Anodyne COc1cccc(CN(C)C(=O)N2C[C@H](N)[C@H](c3ccc(Cl)cc3Cl)C2)c1 ZINC000028899475 HH Annotated Anodyne CC1(C)CN(S(=O)(=O)c2ccccc2)c2cc(F)cc(C3CCNCC3)c2O1 ZINC000028948494 HH Annotated Anodyne CC1(C)CN(S(=O)(=O)c2cccc(F)c2)c2cc(F)cc(C3CCNCC3)c2O1 ZINC000028948496 HH Annotated Anodyne COc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCC4)c(OC)c1 ZINC000028948867 HH Annotated Mild COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)CN(C(C)C)CC4)cc1 ZINC000028948984 HH Annotated Anodyne N#CCSc1nc2sc3c(c2c(=O)n1-c1ccc2c(c1)OCCO2)CCCC3 ZINC000028949236 HH Annotated Mild CCCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(CCC)n[nH]c2-3)C(=O)O1 ZINC000028949280 HH Annotated Anodyne CC(C)C(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1 ZINC000028949299 HH Annotated Anodyne COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2Sc2ncccn2)cc1 ZINC000028950838 HH Annotated Clean COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2Sc2ncccn2)cc1 ZINC000028950840 HH Annotated Clean COC(=O)CCS[C@H]1c2c(O)cc(OC)c(C)c2C(=O)N1c1ccc(OC)cc1 ZINC000028950848 HH Annotated Clean COC(=O)CCS[C@@H]1c2c(O)cc(OC)c(C)c2C(=O)N1c1ccc(OC)cc1 ZINC000028950850 HH Annotated Clean CC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(=O)(=O)CCC1OCCO1 ZINC000028950897 HH Annotated Anodyne COc1cc(O)c2c(c1Br)C(=O)N1c3cc4c(nc3CO[C@@H]21)CCCC4 ZINC000028951065 HH Annotated Clean COc1cc(O)c2c(c1Br)C(=O)N1c3cc4c(nc3CO[C@H]21)CCCC4 ZINC000028951066 HH Annotated Clean CNc1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 ZINC000028951779 HH Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(C(N)=O)ccc21 ZINC000028952199 HH Annotated Anodyne C=CCNC(=O)[C@H](N(C(=O)c1cccnc1)C1CCCCC1)C(Cl)(Cl)Cl ZINC000028953194 HH Annotated Mild C=CCNC(=O)[C@@H](N(C(=O)c1cccnc1)C1CCCCC1)C(Cl)(Cl)Cl ZINC000028953195 HH Annotated Mild C=CCNC(=O)[C@H](N(CC(C)(C)C)C(=O)c1cccnc1)C(Cl)(Cl)Cl ZINC000028953220 HH Annotated Mild C=CCNC(=O)[C@@H](N(CC(C)(C)C)C(=O)c1cccnc1)C(Cl)(Cl)Cl ZINC000028953222 HH Annotated Mild COc1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@@]3(Cc3ccccc3)C2)cc1 ZINC000028953658 HH Annotated Mild COc1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccccc3)C2)cc1 ZINC000028953659 HH Annotated Mild CN(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@@]3(Cc3ccccc3)C2)cc1 ZINC000028953716 HH Annotated Mild CN(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccccc3)C2)cc1 ZINC000028953718 HH Annotated Mild CCS(=O)(=O)n1c2c(c3cc(C(=O)N(C)C(C)C)ccc31)CN(C1CCCC1)C2 ZINC000028955301 HH Annotated Anodyne NCCc1cc2cc[nH]c(=O)c2c2cc(-c3ccc(CN4CCOCC4)cc3)ccc12 ZINC000028955882 HH Annotated Bother C[C@H](c1ccc(F)cc1)N([C@@H]1CCCCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957755 HH Annotated Anodyne C[C@@H](c1ccc(F)cc1)N([C@@H]1CCCCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957757 HH Annotated Anodyne CC(C)CCCCN([C@@H]1CCCCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957768 HH Annotated Anodyne O=C1NCCCC[C@H]1N(CCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957780 HH Annotated Anodyne COCn1cc([C@@](O)(C(=O)O)C(F)(F)F)c2cccc(OCc3ccccc3)c21 ZINC000028961343 HH Annotated Anodyne COCn1cc([C@](O)(C(=O)O)C(F)(F)F)c2cccc(OCc3ccccc3)c21 ZINC000028961348 HH Annotated Anodyne O=c1c2cn(CCN3CCOCC3)c3cc(Cl)ccc3c-2nn1C1CCCCC1 ZINC000028962248 HH Annotated Anodyne COc1ccc(/C=C/C(=O)c2ccc3c(c2)oc(=O)n3CN2CCSCC2)cc1 ZINC000028963892 HH Annotated Mild CC[C@]12C=C(C(=O)OCCOC(C)=O)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000028965213 HH Annotated Anodyne CC[C@@]12C=C(C(=O)OCCOC(C)=O)n3c4c(c5ccccc53)CCN(CCC1)[C@@H]42 ZINC000028965246 HH Annotated Anodyne CN(C)Cc1cc(I)ccc1Sc1ccc(CO)cc1N ZINC000028966153 HH Annotated Anodyne CCCNC(=N)c1ccc(N2CCN(c3ccc(C(=N)NCCC)cc3)CC2)cc1 ZINC000028972372 HH Annotated Anodyne C[C@H](CCCN)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978083 HH Annotated Anodyne CNS(=O)(=O)/N=C(\O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12 ZINC000029041443 HH Annotated Mild Oc1cc2c(c(Br)c1O)-c1c(cc(Br)c(O)c1O)CC2 ZINC000029042330 HH Annotated Clean Oc1cc2c(c(Br)c1O)COCc1cc(O)c(O)c(Br)c1-2 ZINC000029042331 HH Annotated Clean CC(=O)OC[C@@]1(CO)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@@H]12 ZINC000029042437 HH Annotated Anodyne CC(=O)OC[C@]1(CO)CCC[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](OC(C)=O)[C@@H]12 ZINC000029042438 HH Annotated Anodyne COc1c(C(=O)OC(F)(F)F)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12 ZINC000029043479 HH Annotated Bother CCO/N=C/c1c(N)ncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1 ZINC000029044085 HH Annotated Mild CCOC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F ZINC000029044402 HH Annotated Anodyne CCOC[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F ZINC000029044405 HH Annotated Anodyne O=C(O)CCC(=O)Nc1ccc(Br)cc1C(=O)NCC1CCCCC1 ZINC000029044770 HH Annotated Anodyne O=c1cc(Cc2cccc3ccccc23)c(C2CC2)c2n1[C@H](c1nnn[nH]1)CS2 ZINC000029046679 HH Annotated Anodyne CC(C)(C)c1nc2cc(S(=O)(=O)c3ccncc3)ccc2n1CC1CCOCC1 ZINC000029048144 HH Annotated Anodyne N#Cc1cc2c(cc1C(=O)N1CCOCC1)OC(c1ccccc1)(c1ccccc1)O2 ZINC000029054560 HH Annotated Mild Cc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccc(F)cc3)c2-c2ccncc2)cc1 ZINC000029054901 HH Annotated Anodyne NC(=O)c1cc(Cc2ccccc2)cc(C(=O)C(Br)Br)c1 ZINC000029055656 HH Annotated Reactive Nn1c(-c2ccccc2)cn2c(=O)c3c(-c4ccccc4)c4c(nc3nc12)CCCC4 ZINC000029057263 HH Annotated Anodyne CC[N+](CC)=c1ccc2nc3c(cc(NCCC(=O)OC)c4ccccc43)oc-2c1 ZINC000029058710 HH Annotated Bother CC(C)CC(=O)c1c(O)c(C=O)c(O)c2c1O[C@@]1(CCO)[C@@H](C2)C[C@H]2C[C@@H]1C2(C)C ZINC000029123078 HH Annotated Anodyne CC(C)CC(=O)c1c(O)c(C=O)c2c(c1O)C[C@H]1C[C@H]3C[C@H](C3(C)C)[C@@]1(CCO)O2 ZINC000029123101 HH Annotated Anodyne COc1cc(-c2nnc([S@@](=O)Cc3ccccc3Cl)o2)cc(OC)c1OC ZINC000029123261 HH Annotated Anodyne COc1cc(-c2nnc([S@](=O)Cc3ccccc3Cl)o2)cc(OC)c1OC ZINC000029123262 HH Annotated Anodyne COc1cc(-c2nnc([S@@](=O)Cc3ccc(F)cc3)s2)cc(OC)c1OC ZINC000029123295 HH Annotated Anodyne COc1cc(-c2nnc([S@](=O)Cc3ccc(F)cc3)s2)cc(OC)c1OC ZINC000029123296 HH Annotated Anodyne COc1cccc(C[S@@](=O)c2nnc(-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000029123324 HH Annotated Anodyne COc1cccc(C[S@](=O)c2nnc(-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000029123325 HH Annotated Anodyne COc1cc(-c2nnc([S@@](=O)Cc3cccc(F)c3)s2)cc(OC)c1OC ZINC000029123326 HH Annotated Anodyne COc1cc(-c2nnc([S@](=O)Cc3cccc(F)c3)s2)cc(OC)c1OC ZINC000029123327 HH Annotated Anodyne CCc1cc(-c2ccc3c(c2)C[C@H](CC(=O)NCc2cnc(C)cn2)C3=O)ccc1O ZINC000029123363 HH Annotated Anodyne CCc1cc(-c2ccc3c(c2)C[C@@H](CC(=O)NCc2cnc(C)cn2)C3=O)ccc1O ZINC000029123364 HH Annotated Anodyne C[C@]12C(=O)N(c3nc4ccc(OC(F)(F)F)cc4s3)C(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1 ZINC000029123694 HH Annotated Anodyne N#Cc1ccc(CN2c3ccsc3C(=O)N(Cc3ccccc3)S2(=O)=O)cc1 ZINC000029123981 HH Annotated Mild N#Cc1cccc(CN2c3ccsc3C(=O)N(Cc3ccccc3)S2(=O)=O)c1 ZINC000029124148 HH Annotated Mild N#Cc1ccccc1CN1c2ccsc2C(=O)N(Cc2ccccc2)S1(=O)=O ZINC000029124195 HH Annotated Mild Cn1c(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccc(F)cc1F ZINC000029124590 HH Annotated Bother CCCC(=O)Nc1c(OS(=O)(=O)c2ccc(C)cc2)c2ccccc2oc1=O ZINC000029125344 HH Annotated Anodyne NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC1)CN2 ZINC000029126375 HH Annotated Mild Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(C[C@@H](C)O)c12 ZINC000029128018 HH Annotated Anodyne Cc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(C)c(C)n(C[C@H](C)O)c12 ZINC000029128019 HH Annotated Anodyne COc1cc(-n2c(-c3ccc(Cl)cc3)cn(C(C)=O)c2=O)cc(OC)c1OC ZINC000029130277 HH Annotated Anodyne Cc1c(Br)c(=O)oc2c(Br)c(N)c(Br)cc12 ZINC000029131684 HH Annotated Anodyne Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Br)cc1)CCC2 ZINC000029131762 HH Annotated Clean Cn1cccc1CNc1cc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000029132121 HH Annotated Anodyne Brc1cccc(Nc2ncnc3ccncc23)c1NCCc1c[nH]cn1 ZINC000029133028 HH Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CC(N)=O)c1=O ZINC000029208586 HH Annotated Anodyne Cc1ccc(CNC(=O)CCn2c3c(c4ccccc42)C(=O)CN2CCCC[C@@H]32)o1 ZINC000029217816 HH Annotated Anodyne Cc1ccc(CNC(=O)CCn2c3c(c4ccccc42)C(=O)CN2CCCC[C@H]32)o1 ZINC000029217821 HH Annotated Anodyne CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)c1cccc2cccnc12 ZINC000029219682 HH Annotated Anodyne O=C(CCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@@H]21)NCC(F)(F)F ZINC000029221777 HH Annotated Anodyne O=C(CCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@H]21)NCC(F)(F)F ZINC000029221782 HH Annotated Anodyne COc1cc([C@@H](OP(=O)(OC)OC)P(=O)(OC)OC)cc(OC)c1OC ZINC000029222596 HH Annotated Anodyne COc1cc([C@H](OP(=O)(OC)OC)P(=O)(OC)OC)cc(OC)c1OC ZINC000029222601 HH Annotated Anodyne COc1cc2nc(-c3ccc(CP(=O)(OC)OC)cc3)n(C)c(=O)c2cc1OC ZINC000029223191 HH Annotated Anodyne CC(C)[C@@H](O)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1 ZINC000029231094 HH Annotated Anodyne CC(C)[C@H](O)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1 ZINC000029231103 HH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 ZINC000029308777 HH Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(N)cc2nc2cc(N)ccc12 ZINC000029308788 HH Annotated Clean C#C/C=C(\c1ccc(OCC)cc1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 ZINC000029325402 HH Annotated Mild CCOC(=O)COc1ccc(C(=O)c2ccc3c(c2)CNC(=O)O3)c(Cl)c1Cl ZINC000029329264 HH Annotated Anodyne CCOC(=O)COc1ccc(C(=O)c2ccc(OC)c(CN)c2)c(Cl)c1Cl ZINC000029334061 HH Annotated Anodyne CCOC(=O)COc1ccc(C(=O)c2ccc(CN)c(OC)c2)c(Cl)c1Cl ZINC000029337518 HH Annotated Anodyne CCCCOC(=O)C1=C2c3ccccc3[C@@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@H]23 ZINC000029337914 HH Annotated Anodyne CCCCOC(=O)C1=C2c3ccccc3[C@@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@@H]23 ZINC000029337918 HH Annotated Anodyne CCCCOC(=O)C1=C2c3ccccc3[C@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@H]23 ZINC000029337921 HH Annotated Anodyne CCCCOC(=O)C1=C2c3ccccc3[C@H]3C=CC=C(N=C1N1CCN(C)CC1)[C@@H]23 ZINC000029337924 HH Annotated Anodyne CCOC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl ZINC000029342196 HH Annotated Clean CCOC(=O)[C@H](C)Oc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl ZINC000029342199 HH Annotated Clean COc1cccc2c1C(=O)c1c(OC)cc(CN(CCCl)CCCl)cc1C2=O ZINC000029342408 HH Annotated Reactive CC(=O)Oc1cccc2c1C(=O)c1c(ccc(Cc3ccccc3)c1OC(C)=O)C2=O ZINC000029343281 HH Annotated Clean CCOC(=O)COc1ccc(C(=O)c2ccc(O)c([C@@H](C)N)c2)c(Cl)c1Cl ZINC000029346149 HH Annotated Clean CCOC(=O)COc1ccc(C(=O)c2ccc(O)c([C@H](C)N)c2)c(Cl)c1Cl ZINC000029346153 HH Annotated Clean CCOC(=O)COc1ccc(C(=O)c2cc(C)c(O)c(CN)c2)c(Cl)c1Cl ZINC000029346893 HH Annotated Clean CC(C)Oc1c(C(=O)Nc2nn[nH]n2)oc2c3ccccc3n(-c3ccccc3)c12 ZINC000029347919 HH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1 ZINC000029388794 HH Annotated Clean CCOc1c(C(=O)Nc2nn[nH]n2)oc2c3cc(OC)ccc3n(-c3ccccc3)c12 ZINC000029394127 HH Annotated Anodyne OCc1cc(Br)c(-c2ccc(O)cc2)c(I)c1 ZINC000029462638 HH Annotated Anodyne C(CCCCCN1CC[N+]2(CCCC2)CC1)CCCCN1CC[N+]2(CCCC2)CC1 ZINC000029464581 HH Annotated Bother CC(C)(C)C1CCC(C(=O)Nc2ccc(OC(=O)NN3CCOCC3)cc2)CC1 ZINC000029466497 HH Annotated Anodyne C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCc1nnn[nH]1 ZINC000029467987 HH Annotated Anodyne C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\CCCc1nnn[nH]1 ZINC000029467990 HH Annotated Anodyne CC(=O)O[C@H](C)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029470310 HH Annotated Anodyne CC(=O)O[C@@H](C)O/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029470314 HH Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Br)cc1 ZINC000029470913 HH Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000029473520 HH Annotated Bother CNC(=O)c1ccc(C(=O)O)c(-c2ccc3c(c2)OC[C@H](Cc2ccccc2)[C@H]3O)c1 ZINC000029475832 HH Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000029479490 HH Annotated Bother Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cc(F)cc(C2C3CC4CC(C3)CC2C4)c1O ZINC000029479495 HH Annotated Bother Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cc(F)cc(C2C3CC4CC(C3)CC2C4)c1O ZINC000029479498 HH Annotated Bother COc1cc(C2C3CC4CC(C3)CC2C4)c(O)c([C@@H](O)c2ncc([N+](=O)[O-])n2C)c1 ZINC000029480271 HH Annotated Bother COc1cc(C2C3CC4CC(C3)CC2C4)c(O)c([C@H](O)c2ncc([N+](=O)[O-])n2C)c1 ZINC000029480274 HH Annotated Bother CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCC)CCC)c([N+](=O)[O-])c1 ZINC000029484648 HH Annotated Bother COCCCC(=O)N1C[C@@H]2[C@](C(=O)O)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21 ZINC000029487920 HH Annotated Anodyne O=C(O)c1cn(CCO)c2cc(F)c(Cc3cccc(Cl)c3Cl)cc2c1=O ZINC000029501241 HH Annotated Anodyne O=C(O)c1cn(CCO)c2c(F)cc(Cc3cccc(Cl)c3Cl)cc2c1=O ZINC000029501325 HH Annotated Anodyne O=C(O)c1cn(CCO)c2ccc(Cc3cccc(Cl)c3Cl)c(F)c2c1=O ZINC000029501395 HH Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1COC[C@@H]1C2 ZINC000029544569 HH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1COC[C@@H]1C2 ZINC000029544572 HH Annotated Anodyne CC[C@@H]1C[N+]2([O-])CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000029562035 HH Annotated Bother CN(C)CCCNc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 ZINC000029567793 HH Annotated Anodyne COc1ccc2[nH]c([S@@](=O)Cc3nccc(N4CCCCC4)c3Cl)nc2c1 ZINC000029570990 HH Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3nccc(N4CCCCC4)c3Cl)nc2c1 ZINC000029570992 HH Annotated Anodyne CCCOC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccccc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000299806528 HH Annotated Anodyne CC(=O)CNC(=O)[C@@H]1CC[C@@H](c2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000299807947 HH Annotated Anodyne CN(N=Cc1ccccc1)C(=N)NCCCC#Cc1cccc(CN2CCCC2)c1 ZINC000299810726 HH Annotated Mild COc1ccc(OC)c(-c2ccccc2C=NNS(=O)(=O)c2ccc(C)cc2)c1 ZINC000299811010 HH Annotated Mild Cc1cc(C)n(-c2cc(NN=Cc3cc(Br)ccc3O)nc(C)n2)n1 ZINC000299811207 HH Annotated Mild COc1ccc(CN2C[C@@H]3CCC[N@+]4([O-])CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)cc1 ZINC000299811225 HH Annotated Bother COc1ccc(CN2C[C@@H]3CCC[N@@+]4([O-])CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)cc1 ZINC000299811226 HH Annotated Bother COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000299811563 HH Annotated Anodyne C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c(C)c2c1 ZINC000299811705 HH Annotated Anodyne C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3)c(C)c2c1 ZINC000299811706 HH Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2C)[nH]n1 ZINC000299811790 HH Annotated Anodyne O=S1(=O)[C@@H]2C[C@H]3O[C@@]2(C[C@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000299812861 HH Annotated Anodyne O=S1(=O)[C@@H]2C[C@H]3O[C@@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000299812862 HH Annotated Anodyne O=S1(=O)[C@H]2C[C@H]3O[C@@]2(C[C@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000299812863 HH Annotated Anodyne Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ccccn34)C2(C)C)ccc1C#N ZINC000299815839 HH Annotated Mild CC1(C)[C@H](NC(=O)c2ccc3nncn3c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 ZINC000299816059 HH Annotated Mild CC1(C)[C@H](NC(=O)c2cn3cccnc3n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 ZINC000299816213 HH Annotated Mild CC(=O)OC[C@H]1[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]3OC(C)=O)[C@@H]2CC[C@H]1[C@H](C)OC(C)=O ZINC000299816436 HH Annotated Anodyne CC(=O)OC[C@H]1[C@H]2CC[C@]3(C)[C@H](OC(C)=O)CC[C@@H]3[C@@H]2CC[C@H]1[C@H](C)OC(C)=O ZINC000299816437 HH Annotated Anodyne CC(=O)OC[C@H]1[C@H]2CC[C@]3(C)[C@@H](OC(C)=O)CC[C@@H]3[C@@H]2CC[C@H]1[C@H](C)OC(C)=O ZINC000299816438 HH Annotated Anodyne CCN(CC)C[C@@H]1CCCCN1CC(=O)N1c2cc(Cl)ccc2NC(=O)C[C@H]1C ZINC000299816617 HH Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3ccc([C@@H](O)CC)nc3)c(F)c(-n3cccn3)c2[nH]1 ZINC000299818934 HH Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3ccc([C@H](O)CC)nc3)c(F)c(-n3cccn3)c2[nH]1 ZINC000299818940 HH Annotated Anodyne COc1cc([C@@H]2C(=O)N(c3ccc(O)cc3)[C@H]2c2ccc(O)cc2)cc(OC)c1OC ZINC000299819181 HH Annotated Anodyne C[C@H](NCCCS(=O)(=O)NCCNc1cccc2ccccc12)c1ccccc1 ZINC000299819395 HH Annotated Anodyne C[C@@H](NCCCS(=O)(=O)NCCNc1cccc2ccccc12)c1ccccc1 ZINC000299819396 HH Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3ccc(C(C)(C)O)nc3)cc([C@@H]3CCCO3)c2[nH]1 ZINC000299819583 HH Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3ccc(C(C)(C)O)nc3)cc([C@H]3CCCO3)c2[nH]1 ZINC000299819584 HH Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCCn1ccnc1/C=N/O)CC2 ZINC000299819800 HH Annotated Mild COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCCn1ccnc1/C=N/O)CC2 ZINC000299819808 HH Annotated Mild COC(=O)CN1Cc2c(ccc([C@@]3(C)CCCC(C)(C)C3)c2[C@@H](C)C(=O)O)C1=O ZINC000299819819 HH Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C[N+](CCO)(CCO)CCO ZINC000299820476 HH Annotated Bother COc1cc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)OC2=O)cc(OC)c1OC ZINC000299820563 HH Annotated Mild CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2cc(C)cc(C)c12 ZINC000299820672 HH Annotated Anodyne Ic1ccc(NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000299820684 HH Annotated Anodyne N#Cc1ccc2c(Oc3ccccc3OCCn3ccc(O)nc3=O)cc(F)cc2c1 ZINC000299820856 HH Annotated Mild Cc1cc(-c2ccccc2NC(=O)c2nc[nH]c2C(=O)Nc2ccc(F)cc2)[nH]n1 ZINC000299820947 HH Annotated Anodyne COc1cc(-c2nc(Nc3cc(N(C)C)ccc3F)n(C)n2)ccc1-n1cnc(C)c1 ZINC000299820994 HH Annotated Anodyne Cc1nc(Nc2nc(C)c3cc4c(cc3n2)OCO4)nc(O)c1Cc1ccccc1 ZINC000299821512 HH Annotated Anodyne O=C(NCc1ccccc1-c1ccncc1)c1nc[nH]c1C(=O)Nc1ccc(F)cc1 ZINC000299821857 HH Annotated Anodyne O=C(Nc1nc2cccc(-c3ccc(Cc4ccc(O)c(CO)c4)cc3)n2n1)C1CC1 ZINC000299822352 HH Annotated Anodyne COc1cc2nc(C)c(-c3ccc(S(=O)(=O)N(C)C)cc3)c(O)c2cc1Cl ZINC000299822372 HH Annotated Anodyne C=CCNC(=S)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299823325 HH Annotated Reactive CCNC(=S)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299823446 HH Annotated Reactive COC(=O)Nc1nc2cc(S(=O)(=O)c3c(C)[nH]c4ccc(F)cc34)ccc2[nH]1 ZINC000299824316 HH Annotated Anodyne COc1nc(Nc2nc3n(n2)CCC[C@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000299825144 HH Annotated Anodyne COc1nc(Nc2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000299825146 HH Annotated Anodyne COc1ccc(-c2cn3nc(-c4ccccc4)c(CN4CCN(C)CC4)c3n2C)cc1 ZINC000299826035 HH Annotated Anodyne O=c1[nH]c2c3ncccc3c(Oc3cccc(F)c3)nc2n1Cc1ccc(O)cc1 ZINC000299826175 HH Annotated Anodyne CCCc1cc(-c2nc(-c3ccc(C(=O)NS(C)(=O)=O)cc3)cs2)ccn1 ZINC000299826498 HH Annotated Anodyne C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3c(C[C@@H](O)C(=C)C)c(O)c(O)cc3oc12 ZINC000299826599 HH Annotated Mild C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3c(C[C@H](O)C(=C)C)c(O)c(O)cc3oc12 ZINC000299826601 HH Annotated Mild COc1ccc([C@H]2[C@H]([C@@H](O)c3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000299827925 HH Annotated Anodyne COc1ccc([C@H]2[C@H]([C@H](O)c3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000299827927 HH Annotated Anodyne CC(C)(C)c1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccc(F)cc2F)n1 ZINC000299827945 HH Annotated Anodyne CCOC(=O)C1=C(Nc2cccc(C)c2)C(=O)N(c2cccc(C)c2)[C@@H]1C(=O)OCC ZINC000299827982 HH Annotated Anodyne CCOC(=O)C1=C(Nc2cccc(C)c2)C(=O)N(c2cccc(C)c2)[C@H]1C(=O)OCC ZINC000299827983 HH Annotated Anodyne COc1cc([C@H]2[C@H](c3ccc(O)cc3)C(=O)N2c2ccc(O)cc2)cc(OC)c1OC ZINC000299828543 HH Annotated Anodyne COc1ccc2cc(-c3cn(CCCN4C(=O)COc5ccccc54)nn3)ccc2c1 ZINC000299828613 HH Annotated Anodyne CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1cccc(Br)c1 ZINC000299829136 HH Annotated Anodyne CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1cccc(Br)c1 ZINC000299829139 HH Annotated Anodyne O=C1c2ccccc2C(=O)N1Nc1ncnc2scc(-c3ccc([N+](=O)[O-])cc3)c12 ZINC000299829684 HH Annotated Bother COc1ccc(-n2c(Sc3nnc(N)s3)nc3ccc(Cl)cc3c2=O)cc1 ZINC000299829762 HH Annotated Anodyne C=C(CCC=C(C)C)[C@H](O)[C@@H]1CC(C)=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O1 ZINC000299830536 HH Annotated Mild CCOC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(c2ccc(C)cc2)[C@@H]1C(=O)OCC ZINC000299830987 HH Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C)cc2)C(=O)N(c2ccc(C)cc2)[C@H]1C(=O)OCC ZINC000299830988 HH Annotated Anodyne Cc1ccc2nc(Sc3nnc(N)s3)n(-c3ccc(Cl)cc3)c(=O)c2c1 ZINC000299831016 HH Annotated Anodyne CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)c(F)c(C(C)(C)C)n2)c1O ZINC000299831212 HH Annotated Anodyne CO[C@]12C=C3C(=O)c4c(O)cccc4O[C@@]34C[C@@H]1C(C)(C)O[C@]2(CC=C(C)C)C4=O ZINC000299831219 HH Annotated Mild COc1ccc(OC)c([C@H](c2oc(CO)cc(=O)c2O)c2c[nH]c3ccccc23)c1 ZINC000299831257 HH Annotated Anodyne COc1ccc(OC)c([C@@H](c2oc(CO)cc(=O)c2O)c2c[nH]c3ccccc23)c1 ZINC000299831260 HH Annotated Anodyne CN1CCN(c2cc(Cl)c3nc(Nc4ccc(Br)cn4)[nH]c3c2)CC1 ZINC000299832068 HH Annotated Anodyne COc1cccc([C@H](c2oc(CO)cc(=O)c2O)c2c[nH]c3ccccc23)c1OC ZINC000299832596 HH Annotated Anodyne COc1cccc([C@@H](c2oc(CO)cc(=O)c2O)c2c[nH]c3ccccc23)c1OC ZINC000299832598 HH Annotated Anodyne CCC(=O)O[C@H](CC=C(C)C)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\O ZINC000299833311 HH Annotated Mild CCC(=O)O[C@@H](CC=C(C)C)c1cc(OC)c2c(c1OC)/C(=N/O)C=C/C2=N\O ZINC000299833313 HH Annotated Mild Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(Cl)c1/C=N/Nc1nc2ccccc2nc1O ZINC000299834109 HH Annotated Mild COc1ccc(-c2oc(C3CC3)nc2C)cc1S(=O)(=O)CC1CCC(O)CC1 ZINC000299834237 HH Annotated Anodyne COc1cc(Nc2nc3n(n2)CCCN3Cc2ccccc2)ccc1-n1cnc(C)c1 ZINC000299834240 HH Annotated Anodyne CCOc1ccc(CN2C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCCO)cc1OC ZINC000299834260 HH Annotated Anodyne C[C@@]12CC3(O)CC(NC(=O)CCn4sc5cccc(F)c5c4=O)(C1)C[C@](C)(C3)C2 ZINC000299835109 HH Annotated Anodyne CO[C@]12C=C3C(=O)c4c(O)cccc4O[C@@]34[C@@H](C1)C(C)(C)O[C@]4(CC=C(C)C)C2=O ZINC000299835303 HH Annotated Mild COc1cc(Nc2nc3n(n2)CCC(=O)N3c2ccccc2)ccc1-n1cnc(C)c1 ZINC000299835447 HH Annotated Anodyne CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2/C=C2\SC(=S)NC2=O)cc1 ZINC000299835601 HH Annotated Clean CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2/C=C2\SC(=S)NC2=O)cc1 ZINC000299835602 HH Annotated Clean COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cccc(OC)c1)[C@@H]23 ZINC000299835764 HH Annotated Anodyne CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2cccc3c2OCO3)cc1 ZINC000299836935 HH Annotated Anodyne CS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2cccc3c2OCO3)cc1 ZINC000299836936 HH Annotated Anodyne COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1OC)[C@@H]23 ZINC000299837342 HH Annotated Anodyne N#Cc1ccc2c(Oc3ccc(F)cc3OCCn3ccc(O)nc3=O)cccc2c1 ZINC000299837415 HH Annotated Mild CCOc1cc(CC(=O)O[C@H](C)C(F)(F)F)cc(F)c1OCC(=O)N(CC)CC ZINC000299837966 HH Annotated Anodyne CCOc1cc(CC(=O)O[C@@H](C)C(F)(F)F)cc(F)c1OCC(=O)N(CC)CC ZINC000299837967 HH Annotated Anodyne O=C1c2cnc(Cl)nc2C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299838239 HH Annotated Anodyne CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(C(C)(C)CF)n2)c1O ZINC000299838379 HH Annotated Anodyne COc1cccc(CN2C[C@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)c1OC ZINC000299838509 HH Annotated Anodyne CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(C(C)(C)F)n2)c1O ZINC000299839301 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1N=C(C(F)(F)F)C[C@H]1c1cccc2c1OCCO2 ZINC000299839471 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1N=C(C(F)(F)F)C[C@@H]1c1cccc2c1OCCO2 ZINC000299839472 HH Annotated Anodyne COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(OC)cc1)[C@@H]23 ZINC000299839614 HH Annotated Anodyne NC(=O)Nc1ccc2nc(O)c(Nc3cccc(NC(=O)N4CCCC4)c3)cc2c1 ZINC000299840183 HH Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(C=O)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(O)c1 ZINC000299840266 HH Annotated Reactive CCOc1c(OCC(=O)N(CC)CC)ccc(CC(=O)O[C@H](C)C(F)(F)F)c1F ZINC000299840352 HH Annotated Anodyne CCOc1c(OCC(=O)N(CC)CC)ccc(CC(=O)O[C@@H](C)C(F)(F)F)c1F ZINC000299840353 HH Annotated Anodyne CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)c(F)c(C3CCC3)n2)c1O ZINC000299840622 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)F)C[C@H]2c2cccc3c2OCO3)cc1 ZINC000299840658 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=C(C(F)(F)F)C[C@@H]2c2cccc3c2OCO3)cc1 ZINC000299840659 HH Annotated Anodyne COc1ccc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c(O)c1 ZINC000299840860 HH Annotated Bother COc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c(O)c1 ZINC000299840861 HH Annotated Bother CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(C3(C)CCC3)n2)c1O ZINC000299841058 HH Annotated Anodyne CCOc1cc(CC(=O)O[C@H](C)C(F)(F)F)c(F)cc1OCC(=O)N(CC)CC ZINC000299841395 HH Annotated Anodyne CCOc1cc(CC(=O)O[C@@H](C)C(F)(F)F)c(F)cc1OCC(=O)N(CC)CC ZINC000299841396 HH Annotated Anodyne O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2c(c1)CCC2 ZINC000299841420 HH Annotated Anodyne O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2c(c1)CCC2 ZINC000299841421 HH Annotated Anodyne COc1cc2c(cc1OC)C[N@+](C)(CCCCCCc1cccc(OC)[n+]1C)CC2 ZINC000299844508 HH Annotated Bother COc1cc2c(cc1OC)C[N@@+](C)(CCCCCCc1cccc(OC)[n+]1C)CC2 ZINC000299844509 HH Annotated Bother COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(OC)c(OC)c3)c[n+]12 ZINC000299844635 HH Annotated Bother CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN([C@H](C)c2ccccc2)CN1C ZINC000299846073 HH Annotated Anodyne COC1=C(OC)[C@]23C(=CC1=O)C[C@H](C)[C@]2(C)Cc1cc(OC)c(OC)c(OC)c13 ZINC000299846772 HH Annotated Mild COC1=C(OC)[C@]23C(=CC1=O)C[C@@H](C)[C@]2(C)Cc1cc(OC)c(OC)c(OC)c13 ZINC000299846773 HH Annotated Mild CC1(C)OC(=O)N([C@@H]2CC[C@@H](n3c(=O)[nH]c4cncnc43)CC2)[C@H]1c1ccccc1 ZINC000299847349 HH Annotated Anodyne O=C(CCSc1nc(O)c2ccccc2n1)N[C@@H]1CC[C@@H](Oc2ccncc2)CC1 ZINC000299847470 HH Annotated Anodyne CCCCN1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 ZINC000299847668 HH Annotated Anodyne CCCCN1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)C1 ZINC000299847669 HH Annotated Anodyne CCCCN1CC([N+](=O)[O-])=C2N(C[C@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 ZINC000299847671 HH Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](C)C1 ZINC000299848950 HH Annotated Anodyne O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@H]2c1ccc(F)cc1 ZINC000299849705 HH Annotated Bother O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]2c1ccc(F)cc1 ZINC000299849707 HH Annotated Bother CCC(CC)C(=O)N=c1c2cnn(-c3ccccc3)c2nc(O)n1-c1ccccc1 ZINC000299850001 HH Annotated Anodyne Cc1ccc2c(c1)sc1nc(C(=O)N3CCN(C4CCCC4)C(=O)C3)c(Cl)n12 ZINC000299850152 HH Annotated Anodyne Cc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000299850602 HH Annotated Bother C=C1CCC(=C(C)C)[C@H]2C[C@@H](C)C(=O)[C@@]3(C[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@H]1OC(C)=O)O2 ZINC000299850965 HH Annotated Mild C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)CC(C)C)C2(C)C ZINC000299851837 HH Annotated Mild O=C(c1nc2sc3c(n2c1Cl)CCCCC3)N1CCN(C2CCCC2)C(=O)C1 ZINC000299852599 HH Annotated Anodyne Cc1c(C(C)C)sc2nc(C(=O)N3CCN(C4CCCC4)C(=O)C3)c(Cl)n12 ZINC000299852676 HH Annotated Anodyne O=C1NC(=O)C2(c3ccccc3-c3ccccc32)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000299852747 HH Annotated Anodyne O=C1C[C@@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3cccc(Cl)c3)c2N1 ZINC000299852841 HH Annotated Anodyne O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3cccc(Cl)c3)c2N1 ZINC000299852842 HH Annotated Anodyne C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)CCCC)C2(C)C ZINC000299852843 HH Annotated Mild COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5ccc(C)o5)c(=O)n4n3)ccc2c1 ZINC000299854881 HH Annotated Anodyne COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5ccc(C)o5)c(=O)n4n3)ccc2c1 ZINC000299854884 HH Annotated Anodyne O=C1C[C@H](Sc2c(F)c(F)c(F)c(F)c2F)N1C(=O)NCc1ccccc1 ZINC000299855238 HH Annotated Anodyne O=C1C[C@@H](Sc2c(F)c(F)c(F)c(F)c2F)N1C(=O)NCc1ccccc1 ZINC000299855239 HH Annotated Anodyne O=C1C[C@H](Sc2nncn2-c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000299855457 HH Annotated Anodyne O=C1C[C@@H](Sc2nncn2-c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000299855459 HH Annotated Anodyne Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@]3(O)C(=O)c4ccccc4[C@]23O)c(C)c1 ZINC000299855920 HH Annotated Mild COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5ccco5)c(=O)n4n3)ccc2c1 ZINC000299856003 HH Annotated Anodyne COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5ccco5)c(=O)n4n3)ccc2c1 ZINC000299856004 HH Annotated Anodyne CC[C@H](C)CN1CCN(CCCC[C@H]2CNC(=N)N2CC2CCC(C)CC2)C1=N ZINC000299856163 HH Annotated Anodyne CC[C@@H](C)CN1CCN(CCCC[C@H]2CNC(=N)N2CC2CCC(C)CC2)C1=N ZINC000299856165 HH Annotated Anodyne Cc1cc2nc([C@@H](C)CNC(=O)c3ccc(-n4cnnc4)cc3Cl)[nH]c2cc1C ZINC000299856642 HH Annotated Anodyne Cc1cc2nc([C@H](C)CNC(=O)c3ccc(-n4cnnc4)cc3Cl)[nH]c2cc1C ZINC000299856644 HH Annotated Anodyne COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cc1O ZINC000299856666 HH Annotated Anodyne O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1cccc(I)c1 ZINC000299857057 HH Annotated Bother CC1CCC(NC(=O)c2c(O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1 ZINC000299857172 HH Annotated Anodyne Cn1ccc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)n1 ZINC000299857414 HH Annotated Anodyne CCOC(=O)c1nc(NC(=O)c2ccc(C(F)(F)F)cc2)nc2nn(C(C)C)cc12 ZINC000299857809 HH Annotated Anodyne CCCn1c(C)nnc1[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000299857821 HH Annotated Anodyne CCCn1c(C)nnc1[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000299857822 HH Annotated Anodyne O=C1Nc2ccc(Cl)cc2/C1=N/n1c(-c2cccs2)nc2ccccc2c1=O ZINC000299857849 HH Annotated Mild O=C(CN1CCCCC1)N1CCN(C2(c3ccccc3)C3CC4CC(C3)CC2C4)CC1 ZINC000299857968 HH Annotated Anodyne COc1cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)ccc1O ZINC000299859167 HH Annotated Anodyne CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 ZINC000299859592 HH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2cccc(O)c2)cc1 ZINC000299860402 HH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2cccc(O)c2)cc1 ZINC000299860404 HH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2cccc(O)c2)cc1 ZINC000299860406 HH Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2cccc(O)c2)cc1 ZINC000299860408 HH Annotated Anodyne O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3cn[nH]c3)cc1)CC2 ZINC000299860847 HH Annotated Anodyne O=C1C[C@@H](c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)NC(=O)N1 ZINC000299861063 HH Annotated Anodyne O=C1C[C@H](c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)NC(=O)N1 ZINC000299861064 HH Annotated Anodyne O=c1c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)coc2ccccc12 ZINC000299861110 HH Annotated Anodyne CC1=CS[C@@](OCC(F)(F)F)(c2ccc(Br)cc2)c2noc(=O)n21 ZINC000299861236 HH Annotated Anodyne CC1=CS[C@](OCC(F)(F)F)(c2ccc(Br)cc2)c2noc(=O)n21 ZINC000299861237 HH Annotated Anodyne O=C1CCCC2=C1[C@]1(O)C(=O)c3ccccc3[C@]1(O)N2c1ccc(Cl)c(Cl)c1 ZINC000299861851 HH Annotated Mild Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@]3(O)C(=O)c4ccccc4[C@]23O)cc1C ZINC000299861903 HH Annotated Mild Cc1c2c(n3c1CCN(CC#N)c1cc(C(N)=O)c(Cl)cc1-3)CC(C)(C)CC2=O ZINC000299861981 HH Annotated Mild Cc1ccc(C)c(N2C3=C(C(=O)CC(C)(C)C3)[C@]3(O)C(=O)c4ccccc4[C@]23O)c1 ZINC000299862271 HH Annotated Mild O=C(/C=C/c1ccc(F)cc1)N[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 ZINC000299862937 HH Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@H]5[C@@H]76)[C@@H]1OC(=O)c1ccccc1 ZINC000299862940 HH Annotated Mild CC(=O)OCc1c(-c2ccccc2)oc2ccc(NC(=O)c3cnccn3)cc2c1=O ZINC000299863086 HH Annotated Anodyne COc1ccc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)cn1 ZINC000299863498 HH Annotated Anodyne COc1cc2nc(/C=C/c3ccc(F)cc3)n(CCCN(C)C)c(=O)c2cc1OC ZINC000299863527 HH Annotated Anodyne CCn1c(NC(C)C)nc2c([C@H]3CCN(C(=O)c4ccccc4)C3)csc2c1=O ZINC000299863579 HH Annotated Anodyne CCn1c(NC(C)C)nc2c([C@@H]3CCN(C(=O)c4ccccc4)C3)csc2c1=O ZINC000299863580 HH Annotated Anodyne C#CCN1CCc2c(C)c3c(n2-c2cc(Cl)c(C(N)=O)cc21)CC(C)(C)CC3=O ZINC000299863619 HH Annotated Mild COCCNC(=O)c1ccc(NCc2cccnc2)c2c(O)c3cccc(C)c3nc12 ZINC000299863631 HH Annotated Bother O=C(c1cccc(N2CCCCC2)n1)N(C1CC1)[C@@H]1CC[C@@](O)(C(F)(F)F)CC1 ZINC000299863656 HH Annotated Anodyne O=c1c(CNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)coc2ccccc12 ZINC000299863732 HH Annotated Anodyne COCCNC(=O)c1ccc(NCc2ccncc2)c2c(O)c3cccc(C)c3nc12 ZINC000299863777 HH Annotated Bother COc1cccc(-c2cccc3c2Cc2c-3n(CCCN(C)C)c(=O)c3nccn23)c1 ZINC000299863911 HH Annotated Clean CCCCCCSC(=S)N1CCN(C(=S)NC(=O)c2ccccc2)CC1 ZINC000299864055 HH Annotated Anodyne S=C(NCCc1ccccc1)N1CCN(C(=S)SCc2ccccc2)CC1 ZINC000299864308 HH Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cccc4ccc(Cl)cc24)C3=O)cn1 ZINC000299864611 HH Annotated Anodyne COc1cc(O)cc(CN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C[C@H]2O)c1 ZINC000299865060 HH Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)[C@@]1(O)c3ccccc3C(=O)[C@@]21O ZINC000299865480 HH Annotated Mild Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@H](c3ccccc3Cl)C2)c(C)c1Cl ZINC000299865498 HH Annotated Clean Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@@H](c3ccccc3Cl)C2)c(C)c1Cl ZINC000299865499 HH Annotated Clean CCO[C@@]1(c2ccc(Br)cc2)Sc2ccccc2-n2c1noc2=O ZINC000299865633 HH Annotated Anodyne CCO[C@]1(c2ccc(Br)cc2)Sc2ccccc2-n2c1noc2=O ZINC000299865634 HH Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ncc(-c3cccc([N+](=O)[O-])c3)s2)cc1OC ZINC000299866386 HH Annotated Bother Cc1cncc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1 ZINC000299866476 HH Annotated Anodyne CCOC(=O)/C(=N/Nc1ccccc1)Nc1cc2nc3ccccc3nc2cc1N ZINC000299866735 HH Annotated Mild CCn1c(C)nnc1[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000299867584 HH Annotated Anodyne CCn1c(C)nnc1[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000299867586 HH Annotated Anodyne COc1ccc2c(c1)/C(=N/n1c(-c3ccc(C)cc3)nc3ccccc3c1=O)C(=O)N2 ZINC000299867650 HH Annotated Mild O=C1C[C@@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(CC3CCC(F)(F)CC3)c2N1 ZINC000299867940 HH Annotated Anodyne O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(CC3CCC(F)(F)CC3)c2N1 ZINC000299867941 HH Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccccc2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000299868132 HH Annotated Mild COC(=O)C[C@@H]1Nc2ccccc2-c2ccc3c(c21)C1(OCC(C)(C)CO1)C(=O)N3C ZINC000299868253 HH Annotated Anodyne COC(=O)C[C@H]1Nc2ccccc2-c2ccc3c(c21)C1(OCC(C)(C)CO1)C(=O)N3C ZINC000299868254 HH Annotated Anodyne CCOC(=O)c1nn(-c2ccccc2)c2nc3cc4nc5ccccc5nc4cc3n12 ZINC000299868294 HH Annotated Bother Cc1cc(C)cc(N2C3=C(C(=O)CC(C)(C)C3)[C@]3(O)C(=O)c4ccccc4[C@]23O)c1 ZINC000299868305 HH Annotated Mild COCCNC(=O)c1ccc(NCc2ccccn2)c2c(O)c3cccc(C)c3nc12 ZINC000299868378 HH Annotated Bother COc1cc(NC(=O)CC(=O)CCCOc2cccc(Br)c2)ccn1 ZINC000299868480 HH Annotated Anodyne Cc1ccccc1[C@@H]1[C@@H]2COc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000299868672 HH Annotated Anodyne Cc1ccccc1[C@@H]1[C@H]2COc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000299868673 HH Annotated Anodyne Cc1ccccc1[C@H]1[C@@H]2COc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000299868674 HH Annotated Anodyne Cc1ccccc1[C@H]1[C@H]2COc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 ZINC000299868675 HH Annotated Anodyne O=C(NC(=S)N1CCN(C(=S)SCc2ccccc2)CC1)c1ccccc1 ZINC000299868967 HH Annotated Anodyne O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3nnco3)cc1)CC2 ZINC000299869026 HH Annotated Anodyne CCc1nnc([C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1CC ZINC000299869064 HH Annotated Anodyne CCc1nnc([C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1CC ZINC000299869065 HH Annotated Anodyne O=C(CCNCCC(=O)Nc1ccc2ccccc2n1)Nc1ccc2ccccc2n1 ZINC000299869958 HH Annotated Anodyne S=C(NCc1ccccc1)N1CCN(C(=S)SCc2ccccc2)CC1 ZINC000299871274 HH Annotated Anodyne CC1CCC(NC(=O)c2ccc(CN=c3c(O)c(O)c3=NC3CCCCC3)cc2)CC1 ZINC000299872425 HH Annotated Anodyne COc1cccc(/C(O)=C/C=Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000299872431 HH Annotated Mild COc1ccc(C=NNC(=O)/C(O)=C\C2=NC3(CCCC3)Cc3ccccc32)cc1 ZINC000299872461 HH Annotated Reactive CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@@H](C(N)=O)[C@@H]2c1ccc(Br)cc1 ZINC000299872462 HH Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@H](C(N)=O)[C@H]2c1ccc(Br)cc1 ZINC000299872463 HH Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@H](C(N)=O)[C@@H]2c1ccc(Br)cc1 ZINC000299872464 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299873714 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299873715 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299874949 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299874950 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299874951 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299874952 HH Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000299875089 HH Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000299875090 HH Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000299875598 HH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2ccco2)C1 ZINC000299875746 HH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2ccco2)C1 ZINC000299875747 HH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000299875901 HH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000299875902 HH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000299875903 HH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000299876093 HH Annotated Anodyne C/C1=C\CC(=O)[C@H](C)C[C@@H]2OC(=O)[C@H](CN3CCN(c4ccccc4)CC3)[C@H]2CC1 ZINC000299876165 HH Annotated Anodyne C/C1=C\CC(=O)[C@H](C)C[C@@H]2OC(=O)[C@@H](CN3CCN(c4ccccc4)CC3)[C@H]2CC1 ZINC000299876166 HH Annotated Anodyne C/C1=C\CC(=O)[C@H](C)C[C@@H]2OC(=O)[C@H](CN3CCN(c4ccccc4)CC3)[C@@H]2CC1 ZINC000299876167 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299876557 HH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)c2ccco2)C1 ZINC000299876910 HH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)c2ccco2)C1 ZINC000299876911 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299876965 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299876966 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299876967 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299876968 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299878289 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299878290 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299878291 HH Annotated Anodyne COc1cccc(CNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2c2nc(O)c3ccccc3n2)c1 ZINC000299878596 HH Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2c2nc(O)c3ccccc3n2)c1 ZINC000299878597 HH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c1 ZINC000299879017 HH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c1 ZINC000299879018 HH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000299879019 HH Annotated Anodyne C[C@H]([C@H](O)c1ccccc1)N(C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 ZINC000299879094 HH Annotated Anodyne C[C@H]([C@H](O)c1ccccc1)N(C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 ZINC000299879095 HH Annotated Anodyne C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 ZINC000299879096 HH Annotated Anodyne C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 ZINC000299879097 HH Annotated Anodyne C[C@H]([C@H](O)c1ccccc1)N(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 ZINC000299879098 HH Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)sc2n1 ZINC000299879757 HH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000299880769 HH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000299880770 HH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000299880771 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299880970 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299880971 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299881076 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299881077 HH Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CCCO3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000299881737 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299882255 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299882256 HH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299882489 HH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299882490 HH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000299882887 HH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000299882888 HH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000299882889 HH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000299882890 HH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cccc(O)c1 ZINC000299883053 HH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cccc(O)c1 ZINC000299883054 HH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cccc(O)c1 ZINC000299883055 HH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cccc(O)c1 ZINC000299883056 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299883151 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299883152 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299883153 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299883318 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299883319 HH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 ZINC000299883452 HH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 ZINC000299883453 HH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 ZINC000299883454 HH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2ccco2)C1 ZINC000299883455 HH Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000299883555 HH Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000299884614 HH Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000299884615 HH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000299884641 HH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000299884642 HH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000299884643 HH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(O)cc1 ZINC000299884850 HH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(O)cc1 ZINC000299884851 HH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(O)cc1 ZINC000299884852 HH Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(O)cc1 ZINC000299884853 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299885057 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299885058 HH Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000299886169 HH Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000299886170 HH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299887008 HH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299887009 HH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299887010 HH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299887011 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299887359 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299887360 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299887388 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299887389 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299887390 HH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)cc1 ZINC000299887945 HH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 ZINC000299887946 HH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)cc1 ZINC000299887947 HH Annotated Anodyne CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)cc1 ZINC000299887948 HH Annotated Anodyne O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)[C@@H](N1CCCC1)S2 ZINC000003006177 HH Annotated Anodyne O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)[C@H](N1CCCC1)S2 ZINC000003006178 HH Annotated Anodyne CCOC(=O)N1CCC(n2c(=S)[nH]c3cc(OCC)c(OCC)cc3c2=O)CC1 ZINC000003010178 HH Annotated Anodyne CCOC(=O)c1sc2nc(SCC#N)n(Cc3ccc(F)cc3)c(=O)c2c1C ZINC000003010517 HH Annotated Mild CCOC(=O)c1sc2nc(SCC#N)n(Cc3ccc(C)cc3)c(=O)c2c1C ZINC000003018447 HH Annotated Mild Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1 ZINC000003035177 HH Annotated Anodyne COc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CCCC2)cc1OC ZINC000003038646 HH Annotated Anodyne COc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CCCC2)cc1OC ZINC000003038648 HH Annotated Anodyne CCOc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C2CC2)cc1OC ZINC000003039347 HH Annotated Anodyne CCOc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2C2CC2)cc1OC ZINC000003039350 HH Annotated Anodyne O=C(NCc1ccc(F)cc1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1 ZINC000003055504 HH Annotated Anodyne CCN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21 ZINC000003060481 HH Annotated Anodyne Cc1cc(SCC(=O)N/N=C/c2ccc(O)cc2O)c(C)cc1Br ZINC000003232472 HH Annotated Reactive Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)N(C)C1CCCCC1)S2 ZINC000003273047 HH Annotated Anodyne Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)N(C)C1CCCCC1)S2 ZINC000003273049 HH Annotated Anodyne Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)N(C)C1CCCCC1)S2 ZINC000003273051 HH Annotated Anodyne Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@H](C(=O)N(C)C1CCCCC1)S2 ZINC000003273053 HH Annotated Anodyne Cc1cc(C(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c(C)o1 ZINC000003283914 HH Annotated Reactive CC(C)(C)c1ccccc1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 ZINC000003324595 HH Annotated Anodyne Cc1c(/C=N/NC(=O)c2cccnc2)c2ccccn2c1C(=O)c1ccc(F)cc1 ZINC000003335094 HH Annotated Reactive CC(=N)[C@H](C#N)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1 ZINC000003395282 HH Annotated Mild CN(C)c1nc(N/N=C\c2cc(Cl)ccc2O)nc(Nc2ccc(F)cc2)n1 ZINC000030293513 HH Annotated Mild Cc1c(/N=[N+](\[O-])c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000030730751 HH Annotated Clean in-vitro Cc1c(/N=[N+](\[O-])c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000030730756 HH Annotated Clean in-vitro Cc1c([N+](=O)[O-])cc(/N=[N+](\[O-])c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000030730761 HH Annotated Clean in-vitro CCCN(CCCS(=O)(=O)O)c1ccc(N=Nc2cc([N+](=O)[O-])ccn2)c(O)c1 ZINC000306146247 HH Annotated Clean C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000031361243 HH Annotated Anodyne in-vitro CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000031463918 HH Annotated Anodyne CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000031463924 HH Annotated Anodyne CCN1CC[C@@H](CNc2cc(C)nc(/N=C(/N)Nc3cc(Cl)cc(Cl)c3)n2)C1 ZINC000031719632 HH Annotated Mild O=C1C[C@]2(CC[C@@](O)(c3ccco3)[C@@H](C(=O)c3ccco3)C2)C(=O)c2ccccc2N1 ZINC000031871010 HH Annotated Anodyne O=C1C[C@]2(CC[C@](O)(c3ccco3)[C@@H](C(=O)c3ccco3)C2)C(=O)c2ccccc2N1 ZINC000031871012 HH Annotated Anodyne O=C1C[C@@]2(CC[C@@](O)(c3ccco3)[C@@H](C(=O)c3ccco3)C2)C(=O)c2ccccc2N1 ZINC000031871013 HH Annotated Anodyne O=C1C[C@@]2(CC[C@](O)(c3ccco3)[C@@H](C(=O)c3ccco3)C2)C(=O)c2ccccc2N1 ZINC000031871015 HH Annotated Anodyne COc1cc2c(c(O)c1OC)[C@H](O)[C@H]1CCC(=O)N1[C@H]2c1cccc2ccccc12 ZINC000031897492 HH Annotated Anodyne CC[C@@H]1O[C@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)C(=O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000031897520 HH Annotated Mild CC[C@H]1O[C@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)C(=O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000031897527 HH Annotated Mild CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)C(=O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000031897529 HH Annotated Mild CC[C@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)C(=O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000031897535 HH Annotated Mild CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000031897539 HH Annotated Anodyne CC[C@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000031897544 HH Annotated Anodyne CCS[C@]12C[C@@H]3c4cccc5c4[C@@H](CN5C(=O)c4ccccc4)C[C@@]3(O1)N(C)C2=O ZINC000031904784 HH Annotated Anodyne Cc1cc(C)cc(Nc2nnc3n2S(=O)(=O)c2cc(C#N)c(Cl)cc2S3)c1 ZINC000031909994 HH Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCC(=O)O)C1=O ZINC000032011139 HH Annotated Mild CC(=O)OC[C@H](C)c1c(O)c(O)c2c(c1O)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C ZINC000032286516 HH Annotated Mild CC(=O)OC[C@@H](C)c1c(O)c(O)c2c(c1O)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C ZINC000032286518 HH Annotated Mild in-vitro biogenic O=C1Nc2ccccc2/C1=N\N=C\C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 ZINC000032695902 HH Annotated Mild CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000032960941 HH Annotated Anodyne CCCN(CC(=O)Nc1ccccc1C)C(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000032960943 HH Annotated Anodyne O=C(N/C(=C/C=C\c1ccccc1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000033341027 HH Annotated Bother O=C(N/N=C\c1c(F)cccc1F)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000033413797 HH Annotated Reactive C=CCc1ccc(OCCOc2ccc(/C=N\n3cnnc3)cc2OCC)c(OC)c1 ZINC000033419891 HH Annotated Mild Cn1cnnc1SCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000033463173 HH Annotated Anodyne COc1ccc(/C=C2\CN(C)C[C@H]3C2=NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000033493339 HH Annotated Anodyne C=C1C(=O)C2=C[C@H]1C[C@H](OC(C)=O)C(=O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]2OC(C)=O ZINC000033503982 HH Annotated Mild C/C(=N/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-])c1cccnc1 ZINC000033617049 HH Annotated Mild O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1 ZINC000033784382 HH Annotated Reactive O=C(O)c1cn(CCCO)c2ccc(Cc3cccc(Cl)c3Cl)cc2c1=O ZINC000033817934 HH Annotated Anodyne O=C(O)Cn1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21 ZINC000033817937 HH Annotated Anodyne Cc1cc2c(cc1Cc1cccc(Cl)c1Cl)c(=O)c(C(=O)O)cn2CCO ZINC000033818059 HH Annotated Anodyne COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@@H](O)[C@@H](C)[C@@H](C)C3)OCO2 ZINC000033831494 HH Annotated Anodyne in-vitro biogenic COc1ccc([C@@H]2OC[C@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]32)cc1OC ZINC000033832391 HH Annotated Anodyne Cc1cc2c(c(C)c1CCO)C(=O)/C(=C\c1cc3c(c(C)c1CCO)C(=O)CC3)C2 ZINC000033832840 HH Annotated Mild in-vitro biogenic COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]2C(C=O)=C[C@]2(O)CC(C)(C)C[C@@H]23)c(O)c1 ZINC000033833068 HH Annotated Reactive in-man endogenous CO[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)C2=C1C(=O)C([C@H](C)COC(C)=O)=C(O)C2=O ZINC000033902488 HH Annotated Mild in-vitro biogenic c1cc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)s2)ccc1C1=NCCN1 ZINC000033913599 HH Annotated Anodyne COc1ccc(/C=C2\CN(C)C[C@H]3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000033917363 HH Annotated Anodyne Cc1cccc(C(=O)Oc2ccc(/C=N\NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000033927590 HH Annotated Reactive O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 ZINC000034023638 HH Annotated Anodyne CCOc1ccc(C(=O)Nc2cc(Br)c3c(c2)CNCC3)cc1C#N ZINC000034035631 HH Annotated Mild C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)C(C)C)[C@@H]1[C@H]2OC(=O)C(C)C ZINC000034059642 HH Annotated Mild CCCC/C=C/C(=O)NC[C@H]1CN(c2ccc3c(c2)-n2cccc2COC3)C(=O)O1 ZINC000034073900 HH Annotated Anodyne in-vivo C[S@@](=O)c1ccc(-c2nc3n(c2-c2ccc([S@](C)=O)cc2)CCS3)cc1 ZINC000034079721 HH Annotated Anodyne C[S@](=O)c1ccc(-c2nc3n(c2-c2ccc([S@](C)=O)cc2)CCS3)cc1 ZINC000034079722 HH Annotated Anodyne C[S@@](=O)c1ccc(-c2nc3n(c2-c2ccc([S@@](C)=O)cc2)CCS3)cc1 ZINC000034079723 HH Annotated Anodyne C[S@@](=O)c1ccc(-c2c(-c3ccc([S@](C)=O)cc3)nc3n2CCS3)cc1 ZINC000034079724 HH Annotated Anodyne COc1cc2c[n+](C)c3c4cc5c(cc4c(CC(C)=O)cc3c2cc1OC)OCO5 ZINC000034086330 HH Annotated Anodyne CC[C@]12CCCN3[C@@H](OC)C[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@@H]32 ZINC000034104776 HH Annotated Anodyne COC(=O)[C@H](O)C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC1=CC(=O)O[C@H]1O ZINC000034105007 HH Annotated Anodyne OCC1=C[C@]2(O)CC/C=C\CCCCN3CC[C@H]1[C@@]1(CC/C=C\CCCCN[C@@H]12)C3 ZINC000034105569 HH Annotated Anodyne CCOC(=O)C1=CC[C@H](c2ccc(F)cc2)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000034131450 HH Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2ccc(F)cc2)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000034131452 HH Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C#N ZINC000034131535 HH Annotated Mild CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C#N ZINC000034131705 HH Annotated Mild C=C(C)C(=O)OC[C@@H]1CN2[C@@H](CC[C@@H](C)[C@@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000034148480 HH Annotated Mild C=C(C)C(=O)OC[C@H]1CN2[C@@H](CC[C@@H](C)[C@@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000034148482 HH Annotated Mild C[C@H]1C[C@@H](O)[C@@]23C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)C(=O)C(C)(C)O)[C@H]1[C@@H]2CC[C@@H]3C ZINC000034167618 HH Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC ZINC000034203393 HH Annotated Mild CC(=O)OC[C@@]1(C)[C@@H](OC(C)=O)C(=O)C[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 ZINC000034215653 HH Annotated Anodyne COc1nc(NCCc2c[nH]c3ccccc23)nc(Nc2ccc3[nH]ncc3c2)n1 ZINC000034230695 HH Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3C)cc(Br)c1OC ZINC000034231924 HH Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(N)c3C)cc(Br)c1OC ZINC000034231925 HH Annotated Reactive COCCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 ZINC000034270928 HH Annotated Anodyne C=C1CO[C@@]2(O)C=C3C=C[C@H](OC(=O)/C=C/C=C/[C@@H](C)CC)[C@H](C)[C@@]3(C)C[C@@]12O ZINC000034275558 HH Annotated Mild CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000034307057 HH Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)cc(Br)c1O ZINC000034341845 HH Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)cc(Br)c1O ZINC000034341846 HH Annotated Reactive O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CC=CCC3)co2)cc1 ZINC000034375060 HH Annotated Anodyne Cc1ncc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 ZINC000034375249 HH Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)C=C(C)C)[C@@H]1[C@H]2OC(=O)C(C)C ZINC000034430776 HH Annotated Mild CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CC[C@@H]3[C@H](Cc4occc4[C@@H]3C)[C@@]12C ZINC000034452110 HH Annotated Anodyne COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1CC[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C ZINC000034517634 HH Annotated Anodyne C[C@H]1CC[C@@]23C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)C(=O)[C@@](C)(O)CO)[C@H]1[C@@H]2CC[C@@H]3C ZINC000034560189 HH Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)OC ZINC000034585113 HH Annotated Mild CC(C)(C)n1ncc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Cl)c1=O ZINC000034585314 HH Annotated Bother CC(=O)O[C@H]1C[C@H]2[C@@H](CN(C)C)C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)CC[C@@H]1C(C)=O ZINC000034627064 HH Annotated Anodyne O=C(O)CCC(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000034642053 HH Annotated Mild CN(C)C/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000034661353 HH Annotated Anodyne C=C1C[C@@H]2O[C@@H]([C@@H]3[C@@H](C(C)C)C[C@H](O)C(=C)[C@H]23)[C@](C)(OC(=O)CCC)CC[C@@H]1O ZINC000034722746 HH Annotated Mild O=C(CSc1ncn[nH]1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000034780430 HH Annotated Anodyne O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](C(F)F)N3CC(F)(F)F ZINC000034799932 HH Annotated Mild O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H](C(F)F)N3CC(F)(F)F ZINC000034799933 HH Annotated Mild Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(C[C@H]1CCCO1)C2 ZINC000034804893 HH Annotated Anodyne Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(C[C@@H]1CCCO1)C2 ZINC000034804895 HH Annotated Anodyne C=CCc1c(-c2ccc(OCc3ccccc3)cc2)[nH]c2cc(C(=O)O)nn2c1=O ZINC000034820333 HH Annotated Mild CCCC[C@@]12C[C@]1(C(=O)Nc1ccccc1C(N)=O)C(=O)Nc1ccc(Cl)cc12 ZINC000034821588 HH Annotated Anodyne CCCC[C@]12C[C@@]1(C(=O)Nc1ccccc1C(N)=O)C(=O)Nc1ccc(Cl)cc12 ZINC000034821590 HH Annotated Anodyne CCCC[C@@]12C[C@]1(C(=O)Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(Cl)cc12 ZINC000034821592 HH Annotated Anodyne CCCC[C@]12C[C@@]1(C(=O)Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccc(Cl)cc12 ZINC000034821594 HH Annotated Anodyne COc1ccc(C(=O)C2=CCCCc3c2cc(OC)c(OC)c3OC)c(O)c1O ZINC000034851825 HH Annotated Mild O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Cl)cc1 ZINC000034855223 HH Annotated Anodyne Cc1nc(N2CCN(C)CC2)c2c(C)c(C(=O)NC3CCCCCC3)sc2n1 ZINC000034861241 HH Annotated Anodyne CCC(C)(C)C(=O)C(=O)N[C@H](C(=O)OCCc1ccccc1C(F)(F)F)C(C)C ZINC000034886737 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@@H]1c1c(C(F)(F)F)n[nH]c1C2 ZINC000034891639 HH Annotated Anodyne O=S1(=O)[C@H]2C[C@H]3O[C@@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000034960994 HH Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)C3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961581 HH Annotated Anodyne Cc1cc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000003582980 HH Annotated Anodyne CN1CC=C(O[P@@](=O)(NCc2ccccc2)N(CCCl)CCCl)CC1 ZINC000003592618 HH Annotated Reactive CN(C(=O)Cc1cccs1)[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003614788 HH Annotated Anodyne CN(C(=O)Cc1cccs1)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003614792 HH Annotated Anodyne CN(C(=O)Cc1cccs1)C1(C(=O)Nc2ccc3c(c2)OCO3)CCCCC1 ZINC000003614972 HH Annotated Anodyne O=C(c1cnccn1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1 ZINC000003626029 HH Annotated Anodyne CCCCCCCCN1C/C(=C2/SC(=O)NC2=O)c2ccccc2S1(=O)=O ZINC000003630101 HH Annotated Mild Cc1ccc(NC(=O)c2ccc3c(=O)n(C[C@H]4CCCO4)c(S)nc3c2)cc1C ZINC000003631926 HH Annotated Anodyne Cc1ccc(NC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(S)nc3c2)cc1C ZINC000003631928 HH Annotated Anodyne C[N+](C)(CCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O ZINC000003633898 HH Annotated Clean Cc1cccc(CN2C(=O)CSc3ccc(C(=O)NCc4ccccn4)cc32)c1 ZINC000003638425 HH Annotated Anodyne Cc1c(N2CC[C@@H](c3ccccn3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003646677 HH Annotated Anodyne Cc1c(N2CC[C@H](c3ccccn3)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003646681 HH Annotated Anodyne CCOC(=O)c1cc2ccc(Cl)cc2n1S(=O)(=O)c1cc(Cl)ccc1N ZINC000003654316 HH Annotated Anodyne COc1ccccc1-n1c2c(cc(C(=O)N3CCC(C)CC3)c1=O)C(=O)CC(C)(C)C2 ZINC000003654569 HH Annotated Anodyne CCOc1ccc(-n2cc(C(=O)N[C@H](C)CC)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000003660448 HH Annotated Anodyne CCOc1ccc(-n2cc(C(=O)N[C@@H](C)CC)c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000003660449 HH Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C)cc1OC ZINC000003661047 HH Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C)cc1OC ZINC000003661048 HH Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C)cc1OC ZINC000003661049 HH Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C)cc1OC ZINC000003661050 HH Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)OC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003777797 HH Annotated Anodyne in-vitro COC(=O)N(CC(=O)O)C(=O)c1c(Cl)ccc2c(C(F)(F)F)c(OC)ccc12 ZINC000003791662 HH Annotated Anodyne CO[C@H]1C[C@H](N(C)C(=O)Cc2cccc3sccc23)[C@@H](N2CCCC2)C[C@H]1OC ZINC000003794636 HH Annotated Anodyne C/N=C(/S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNS(=O)(=O)c1cccs1 ZINC000003797893 HH Annotated Mild O=C(O)CCc1cccc2c1O[C@H]1C[C@@H](O)[C@H](/C=C/[C@@H](O)CC3CCCCC3)[C@@H]21 ZINC000003800589 HH Annotated Anodyne CC[C@@H]1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O ZINC000003810269 HH Annotated Anodyne CSc1cc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c2c(c1)N(C)CCO2 ZINC000003813508 HH Annotated Anodyne COc1ccc([C@@H]2[C@@H]([C@H](O)COc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 ZINC000003813811 HH Annotated Anodyne CC(C)=CCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21 ZINC000003819887 HH Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccccc4)n[nH]c2-3)C(=O)O1 ZINC000003820989 HH Annotated Anodyne C[C@H]1CC[C@H]2[C@H](CN3CCCCC3)C(=O)O[C@H]2[C@]2(C)C(=O)C[C@@H](N3CCCCC3)[C@@H]12 ZINC000003823007 HH Annotated Anodyne C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000003823968 HH Annotated Mild O=c1c(CC[S@@](=O)c2ccccc2)c(O)n(-c2ccccc2)n1-c1ccccc1 ZINC000003831483 HH Annotated Anodyne CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O ZINC000003870489 HH Annotated Anodyne in-vivo CCC(=O)c1ccc(F)c([C@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O ZINC000003870490 HH Annotated Anodyne CCC(=O)c1ccc(F)c([C@@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1O ZINC000003870491 HH Annotated Anodyne CC[n+]1c(C)c(C(=O)OC(C)C)c(-c2ccccc2Cl)c(C(=O)O)c1C(=O)O ZINC000003870716 HH Annotated Anodyne in-vivo C[C@]1(O)CCC[C@H]1Oc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1 ZINC000003931618 HH Annotated Anodyne COc1cc(-c2n[nH]c(C)n2)ccc1NC(=O)NC(=O)c1cc(F)c(F)cc1Cl ZINC000003937843 HH Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc(CCCO[N+](=O)[O-])nn2CC2CCCCC2)cc1 ZINC000003938217 HH Annotated Anodyne CC(C)(C)C(=O)O[P@](=O)(O)C(Cl)(Cl)[P@@](=O)(O)OC(=O)C(C)(C)C ZINC000003941180 HH Annotated Anodyne CCOC(=O)c1c(-c2ccc(C)cc2)c(-c2ccncc2)c(N2CCNCC2)n1C ZINC000003942872 HH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC(=O)[C@@]2(C)[C@H](C(C)=O)[C@H](N4CC4)C[C@H]32)C1 ZINC000003954271 HH Annotated Anodyne C[C@@H]([C@H](O)c1ccccc1)N(C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000003955303 HH Annotated Anodyne C[C@@H]([C@@H](O)c1ccccc1)N(C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000003955305 HH Annotated Anodyne N#Cc1ccc(CN2CCCC3(CCN(S(=O)(=O)c4ccccc4)CC3)C2)cc1 ZINC000003956070 HH Annotated Mild O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N3CCNCC3)c(Cl)ccc21 ZINC000003961862 HH Annotated Anodyne O=C(O)C[C@@H]1CC(CNC(=O)CCCCNc2ccccn2)=CCc2ccccc21 ZINC000003964813 HH Annotated Anodyne CCN(C(=O)c1c(O)c2c(Br)cccc2n(C)c1=O)c1ccccc1 ZINC000003981548 HH Annotated Anodyne Cc1cccc(N2C(=O)CS/C2=N/NC(=O)c2ccc(Br)cc2)c1C ZINC000003983021 HH Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc(Br)c1O ZINC000003990443 HH Annotated Reactive Cc1nnc(SCC(=O)Nc2ccccc2Cl)n1-c1cccc2c1OCCO2 ZINC000035001742 HH Annotated Anodyne COC(=O)c1c(O)c2nc(Cc3ccc(F)cc3)sc2n(-c2ccccc2)c1=O ZINC000035010309 HH Annotated Anodyne CC(C)C(=O)N(CCN(Cc1cncn1C)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000035049826 HH Annotated Mild COc1ccc(C)cc1NS(=O)(=O)c1cc(OC2CCNCC2)c2occc2c1 ZINC000035067238 HH Annotated Anodyne investigational CCCCN1CC([N+](=O)[O-])=C2N(C[C@@H]3CCC[C@@H]3N2Cc2ccc(Cl)nc2)C1 ZINC000035079201 HH Annotated Anodyne CC(=O)N1CCc2ccc3c(C(=O)O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1 ZINC000035087214 HH Annotated Anodyne CO[C@@H](C(=O)O[C@@H]1CC2=C(OC1(C)C)c1ccccc1C(=O)C2=O)c1ccccc1 ZINC000035246730 HH Annotated Mild CO[C@@H](C(=O)O[C@H]1CC2=C(OC1(C)C)c1ccccc1C(=O)C2=O)c1ccccc1 ZINC000035246738 HH Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C(C=O)[C@]2(C=O)[C@@H](O)C[C@H]1C ZINC000035259352 HH Annotated Reactive O=C(O)Cc1ccc(-c2ccccc2NC(=O)CCc2ccc(O)c(O)c2O)s1 ZINC000035274885 HH Annotated Clean O=C(O)Cc1ccc(-c2ccccc2NC(=O)/C=C/c2ccc(O)c(O)c2O)s1 ZINC000035276391 HH Annotated Clean O=S(=O)(c1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(NC3CCNCC3)cc12 ZINC000035279651 HH Annotated Anodyne CN(C)CCOc1ccc(/C=C/c2cc(-c3cc4c(O)ncnc4[nH]3)ccn2)cc1 ZINC000035285617 HH Annotated Anodyne O=C1c2ncc3c(c(CN4CCCCC4)cn3Cc3ccc(F)cc3)c2CCN1O ZINC000035309409 HH Annotated Clean O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000035604896 HH Annotated Reactive COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](O)[C@H](C)[C@H](C)C2 ZINC000035794933 HH Annotated Anodyne CCn1c(=O)n(Cc2nc3ccccc3n2C[C@H](O)c2ccccc2)c2ccccc21 ZINC000035826964 HH Annotated Anodyne CCn1c(=O)n(Cc2nc3ccccc3n2C[C@@H](O)c2ccccc2)c2ccccc21 ZINC000035826965 HH Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)/C(=C/C=O)C(=O)O[C@@]3(C)[C@@H](O)C[C@H]21 ZINC000035827133 HH Annotated Reactive COP(=O)(OC)[C@H](OC(=O)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000035901559 HH Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000035901560 HH Annotated Bother CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000035901652 HH Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000035901653 HH Annotated Anodyne CO[C@@H]1C[C@@]2(CC[C@]3(O2)[C@@]2(C)CCCC(C)(C)[C@@H]2CC(=O)[C@]3(C)OC(C)=O)CO1 ZINC000035919093 HH Annotated Anodyne in-vitro biogenic COc1nc2ccc(F)cc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1 ZINC000035919115 HH Annotated Anodyne CCc1cc2c(cc1CC)CC(C)(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 ZINC000035951268 HH Annotated Anodyne O=C(Nc1noc2ccccc12)N1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000035983825 HH Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(CC)CC)cn1 ZINC000035983826 HH Annotated Anodyne Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000035997404 HH Annotated Bother Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1 ZINC000035997548 HH Annotated Bother CCOC(=O)[C@H]1C(C)=NC(SCc2cc(O)n[nH]2)=C(C#N)[C@@H]1c1cccs1 ZINC000036023277 HH Annotated Reactive CCOC(=O)[C@@H]1C(C)=NC(SCc2cc(O)n[nH]2)=C(C#N)[C@@H]1c1cccs1 ZINC000036023279 HH Annotated Reactive CCOC(=O)[C@H]1C(C)=NC(SCc2cc(O)n[nH]2)=C(C#N)[C@H]1c1cccs1 ZINC000036023281 HH Annotated Reactive C[C@@H]1CCCN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000036067083 HH Annotated Bother C[C@H]1CCCN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000036067084 HH Annotated Bother Cc1ccc2c(c1)c(-c1ccnc3c(S(C)(=O)=O)cccc13)c(C)n2CC(=O)O ZINC000036127010 HH Annotated Anodyne O=C(CNO)Cc1cn(C(=O)OCc2ccccc2)c2ccc(Br)cc12 ZINC000036159938 HH Annotated Anodyne CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C)c1 ZINC000036190318 HH Annotated Bother Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C ZINC000036190410 HH Annotated Bother COc1cccc(Cn2nc(C)c3c(nc(C)n4nc(-c5ccccc5)cc34)c2=O)c1 ZINC000036242932 HH Annotated Anodyne CN1CC[C@H](c2ccc(Cl)cc2)[C@H](C[S@@](=O)CCOC(=O)c2ccccc2)C1 ZINC000036271546 HH Annotated Anodyne CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](C[S@@](=O)CCOC(=O)c2ccccc2)C1 ZINC000036271550 HH Annotated Anodyne CN1CCN(c2nccc3[nH]c(-c4nc(CCc5ccc(Cl)cc5)no4)cc23)CC1 ZINC000036311419 HH Annotated Anodyne Cc1ccc(N2C(=O)c3ccccc3[C@](C)(C(=O)O)[C@@H]2c2ccc(CO)cc2)nc1 ZINC000036376240 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc6ccccc6cc54)[C@@H]3N2C)o1 ZINC000036378248 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2C[C@H]3Cn4c(nc5cc6ccccc6cc54)[C@@H]3N2C)o1 ZINC000036378249 HH Annotated Anodyne CN1[C@H](C(=O)NCc2ccco2)C[C@H]2Cn3c(nc4cc(Cl)c(Cl)cc43)[C@@H]21 ZINC000036378260 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@@H]3N2C)o1 ZINC000036378264 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2C[C@H]3Cn4c(nc5cc(Cl)c(Cl)cc54)[C@@H]3N2C)o1 ZINC000036378265 HH Annotated Anodyne C1=c2ccccc2=N/C1=C1\NN=C(CN(Cc2ccccc2)Cc2ccccc2)S1 ZINC000036379031 HH Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1cccs1)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000036379163 HH Annotated Anodyne COc1ccc([C@]23Cc4cc(OC)c(OC)cc4[C@H](O2)c2c(cc(C)oc2=O)O3)cc1 ZINC000036379189 HH Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3ccccc3Br)c12 ZINC000036380180 HH Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3cccc(Br)c3)c12 ZINC000036380181 HH Annotated Anodyne CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(OCC)c(OCC)c2)C1 ZINC000036380742 HH Annotated Anodyne COc1ccc(CCn2c3c(c(=O)[nH]c2=S)CN(c2ccccc2)CN3)cc1OC ZINC000036380775 HH Annotated Anodyne COC(=O)C/C=C/[C@H](C)[C@@H](NC(=O)C(F)(F)F)c1ccccc1Br ZINC000036381740 HH Annotated Anodyne COc1ccc2c(c1)CO[C@H]([C@H](O)CO)[C@H]2/C=C/C#Cc1ccc(C(C)(C)C)cc1 ZINC000036381873 HH Annotated Mild COC(=O)c1ccc(CN2C(=O)[C@]3(OCCC=C[C@H]3C)c3cc(OC)ccc32)cc1 ZINC000036381897 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(OC[C@@H]3Cc4ccccc4[C@@H]3C=C2C)c2ccccc21 ZINC000036381908 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000036381937 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(CC(C)=C[C@@H](COCc3ccccc3)O2)c2ccccc21 ZINC000036381973 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(CC(C)=CC[C@@H](COc3ccccc3)O2)c2ccccc21 ZINC000036381984 HH Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(C)C)Nc3ncnc(N4CCCCC4)c32)cc1 ZINC000036382410 HH Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(C)C)Nc3ncnc(N4CCCCC4)c32)cc1 ZINC000036382411 HH Annotated Anodyne CN(C)c1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Br ZINC000036382764 HH Annotated Mild C[C@@H]1[C@H](c2ccccc2)OCCS(=O)(=O)N1Cc1ccccc1Br ZINC000036382936 HH Annotated Anodyne CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@@H](N)CCC2=O)cc1 ZINC000036382982 HH Annotated Anodyne CC[C@H]1[C@@H](OC(=O)Nc2ccc3c(c2)OCO3)C[C@@H]2CCN3C(=O)CCC[C@H]1[C@H]23 ZINC000036383089 HH Annotated Anodyne N#C[C@H](C(=O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccccc2)cs1 ZINC000036383821 HH Annotated Mild COc1ccccc1CNC(=O)c1cc(-c2ccccc2)n(Cc2cc(C)no2)n1 ZINC000036384204 HH Annotated Anodyne COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000036384245 HH Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000036384246 HH Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036384262 HH Annotated Anodyne COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 ZINC000036384276 HH Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 ZINC000036384277 HH Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccc(-c3ccc(F)cc3F)cc1S2(=O)=O ZINC000036384298 HH Annotated Anodyne COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000036384318 HH Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000036384327 HH Annotated Anodyne CCOC(=O)C1=CC[C@H]2c3c(c4ccccc4n3C)C(=O)[C@@H]1N2C(=O)OC(C)(C)C ZINC000036387599 HH Annotated Anodyne CCOC(=O)C1=CC[C@@H]2c3c(c4ccccc4n3C)C(=O)[C@H]1N2C(=O)OC(C)(C)C ZINC000036387617 HH Annotated Anodyne Cc1ccccc1-c1cc(C(=O)NCC2CC2)n(C[C@@H]2CC(c3cccnc3)=NO2)n1 ZINC000036387841 HH Annotated Anodyne Cc1ccccc1-c1cc(C(=O)NCC2CC2)n(C[C@H]2CC(c3cccnc3)=NO2)n1 ZINC000036387842 HH Annotated Anodyne CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@@H](O)CCC2=O)cc1 ZINC000036388005 HH Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 ZINC000036388494 HH Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 ZINC000036388496 HH Annotated Anodyne CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(OC(F)(F)F)cc1)C2 ZINC000036388498 HH Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C ZINC000036388500 HH Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 ZINC000036388502 HH Annotated Anodyne O=S1(=O)[C@H]2C[C@@H]3O[C@]2(C[C@@H]3c2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000036388532 HH Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)C3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388570 HH Annotated Anodyne COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCc1ccccc1 ZINC000036388596 HH Annotated Mild COc1cc(OC)cc(-c2oc(=O)c3cc(OC)c(OC)cc3c2C#CCCCO)c1 ZINC000036388783 HH Annotated Mild CCCCN1CC(=O)N2[C@H]3c4ccccc4OC[C@@H]3[C@H](c3ccccc3)[C@]2(C)C1=O ZINC000036389045 HH Annotated Anodyne O=C(N[C@@]1(Cc2ccccc2)CCN(CCc2cccs2)C1=O)c1ccccc1 ZINC000036389154 HH Annotated Anodyne O=C(N[C@]1(Cc2ccccc2)CCN(CCc2cccs2)C1=O)c1ccccc1 ZINC000036389155 HH Annotated Anodyne Cc1c([C@@H](C)CCCO)oc(=O)c2c1Oc1c(C)c([C@@H](C)C[C@H](C)O)oc(=O)c1C2 ZINC000036389232 HH Annotated Anodyne Cc1c([C@@H](C)C[C@H](C)O)oc(=O)c2c1Oc1c(C)c([C@H](C)CCCO)oc(=O)c1C2 ZINC000036389233 HH Annotated Anodyne Cc1c([C@@H](C)CCCO)oc(=O)c2c1Oc1c(C)c([C@H](C)C[C@H](C)O)oc(=O)c1C2 ZINC000036389234 HH Annotated Anodyne Cc1c([C@H](C)CCCO)oc(=O)c2c1Oc1c(C)c([C@H](C)C[C@H](C)O)oc(=O)c1C2 ZINC000036389235 HH Annotated Anodyne Cc1c([C@@H](C)CCCO)oc(=O)c2c1Oc1c(C)c([C@@H](C)C[C@@H](C)O)oc(=O)c1C2 ZINC000036389236 HH Annotated Anodyne Cc1c([C@@H](C)C[C@@H](C)O)oc(=O)c2c1Oc1c(C)c([C@H](C)CCCO)oc(=O)c1C2 ZINC000036389237 HH Annotated Anodyne Cc1c([C@@H](C)CCCO)oc(=O)c2c1Oc1c(C)c([C@H](C)C[C@@H](C)O)oc(=O)c1C2 ZINC000036389238 HH Annotated Anodyne Cc1c([C@H](C)CCCO)oc(=O)c2c1Oc1c(C)c([C@H](C)C[C@@H](C)O)oc(=O)c1C2 ZINC000036389239 HH Annotated Anodyne Cc1c([C@@H](C)C[C@H](C)O)oc(=O)c2c1Oc1c(C)c([C@@H](C)C[C@H](C)O)oc(=O)c1C2 ZINC000036389240 HH Annotated Anodyne Cc1c([C@@H](C)C[C@H](C)O)oc(=O)c2c1Oc1c(C)c([C@H](C)C[C@H](C)O)oc(=O)c1C2 ZINC000036389241 HH Annotated Anodyne Cc1c([C@H](C)C[C@H](C)O)oc(=O)c2c1Oc1c(C)c([C@H](C)C[C@H](C)O)oc(=O)c1C2 ZINC000036389242 HH Annotated Anodyne COc1ccc([C@@H]2c3c(cc(OC)c(OC)c3OC)C[C@@H]3COC[C@H]32)cc1OC ZINC000036400963 HH Annotated Anodyne CC(C)n1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O ZINC000036401431 HH Annotated Anodyne C=C[C@@](C)(CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000036402246 HH Annotated Mild Cc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1 ZINC000036454201 HH Annotated Anodyne Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(I)c21 ZINC000036473454 HH Annotated Anodyne CN(C)CCN(C)c1cccc2nc(CN3CCC[C@H]4CCc5cccnc5[C@H]43)cn12 ZINC000036478878 HH Annotated Anodyne O=C1O[C@H](CO)CN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1 ZINC000036479100 HH Annotated Anodyne in-vivo CCNC(=O)c1cc2c(-c3cc(OCC#N)c(Cl)cc3Cl)nc(N)nc2s1 ZINC000037246104 HH Annotated Mild N#C[C@@H](C(=O)CN1CCN(c2ccccc2F)CC1)c1nc(-c2ccccc2)cs1 ZINC000037865951 HH Annotated Mild O=C(c1cccs1)c1cnn2c1[nH][n+](=O)c1ccc(OCc3ccccc3)cc12 ZINC000377806646 HH Annotated Anodyne COc1ccc2cc3n(cc-2c1=NCCCCCCN)CCc1cc2c(cc1-3)OCO2 ZINC000377811762 HH Annotated Anodyne CC1(C)CC(N2CCCCC2)=C/C(=N\[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000377815858 HH Annotated Mild CC1(C)CC(N2CCCCC2)=C/C(=N\[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000377815859 HH Annotated Mild CC1(C)CC(N2CCCCC2)=C/C(=N/[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000377815860 HH Annotated Mild CC1(C)CC(N2CCCCC2)=C/C(=N/[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000377815861 HH Annotated Mild O=[n+]1[nH]c2c(I)cnn2c2cc(/C=C/c3ccccc3)ccc21 ZINC000377815889 HH Annotated Anodyne CN(C)C(=O)Oc1ccc(-c2cn3c(=NC(=O)c4ccccc4)cccc3n2C)cc1 ZINC000377819939 HH Annotated Anodyne O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O ZINC000377838559 HH Annotated Anodyne O=C(OCc1cccs1)c1cnn2c1[nH][n+](=O)c1ccc(Oc3ccccc3)cc12 ZINC000377839381 HH Annotated Anodyne COc1cc(CN2CCCCC2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000377848954 HH Annotated Anodyne CCN(CC)Cc1cc(OC)c(=O)c2cn3c(cc1-2)-c1cc2c(cc1CC3)OCO2 ZINC000377848960 HH Annotated Anodyne COc1cc(CN2CCCC2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000377848963 HH Annotated Anodyne COc1ccc(-c2csc([C@H](C#N)C(=O)CSc3nccn3C)n2)cc1OC ZINC000038140724 HH Annotated Mild CCOC(=O)CN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000038142343 HH Annotated Anodyne CCCCCCCCN1[C@@H](CC(=O)O)c2ccc(/C=C/C(=O)O)cc2S1(=O)=O ZINC000038143027 HH Annotated Mild C[C@@H]1C(=O)N(CCCCCOc2ccc(Cl)cc2)/C(=N\C#N)N1c1ccncc1 ZINC000038148612 HH Annotated Mild C[C@H]1C(=O)N(CCCCCOc2ccc(Cl)cc2)/C(=N\C#N)N1c1ccncc1 ZINC000038148613 HH Annotated Mild COC1=C(OC)C(=O)C([C@@H](CCCCCC(=O)O)c2ccc(F)cc2)=C(C)C1=O ZINC000038153655 HH Annotated Mild Cc1nsc(-c2ccc(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)nn2)n1 ZINC000038153791 HH Annotated Anodyne Cc1nsc(-c2ccc(N3CCN(c4cc(Cl)cc(Cl)c4)CC3)nn2)n1 ZINC000038153794 HH Annotated Anodyne CCc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1 ZINC000038153799 HH Annotated Anodyne COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)c(OC)c(OC)c1 ZINC000038153930 HH Annotated Reactive COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)c(OC)c(OC)c1 ZINC000038153931 HH Annotated Reactive C=C(C)[C@H]1CC=C(c2nc3c(c(=O)[nH]2)[C@H]2CCN(C(=O)OCC)C[C@@H]2S3)CC1 ZINC000038154633 HH Annotated Mild C=C(C)[C@H]1CC=C(c2nc3c(c(=O)[nH]2)[C@@H]2CCN(C(=O)OCC)C[C@@H]2S3)CC1 ZINC000038154634 HH Annotated Mild FC(F)(F)c1cnc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1 ZINC000038157632 HH Annotated Anodyne O=C(Nc1ccc(F)cc1F)C1=CC2=N[C@@H]3CCCC[C@@H]3[C@H](C(F)(F)F)N2N1 ZINC000038171160 HH Annotated Anodyne O=C(Nc1ccc(F)cc1F)C1=CC2=N[C@@H]3CCCC[C@H]3[C@H](C(F)(F)F)N2N1 ZINC000038171161 HH Annotated Anodyne CCOc1cc(/C(=C/C#N)c2ccc(OC)c(OC(=O)[C@@H](N)C(C)C)c2)ccc1OC ZINC000038240651 HH Annotated Reactive Cc1cc2c(cc1OC1=C(O)C(=O)c3ccccc3C1=O)C(=O)c1ccccc1C2=O ZINC000038268502 HH Annotated Mild COC(=O)C(C)(C)NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 ZINC000038268665 HH Annotated Anodyne CN1[C@H]2CC[C@@H]1/C(=C/c1cccc3c1OCO3)C(=O)/C2=C\c1cccc2c1OCO2 ZINC000038282699 HH Annotated Mild C=C1C[C@@](C)([C@@H]2CC[C@](C)(O)[C@H](Br)C2)[C@@H]2C[C@H](O)[C@@](C)(O)CC[C@H]12 ZINC000038299288 HH Annotated Reactive C=C1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C ZINC000038309044 HH Annotated Mild CC(C)(C)n1ncc(OCc2nnc(-c3cc(F)c(F)cc3F)o2)c(Cl)c1=O ZINC000038319711 HH Annotated Anodyne C=C1c2ccoc2C[C@H]2[C@H]1CC[C@@]1(O)C(C)(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]21C ZINC000038319754 HH Annotated Mild in-vitro N[C@H](CNC(=O)c1cc2c(-c3ccccc3Cc3ccccc3)cccc2[nH]1)C(=O)O ZINC000038334348 HH Annotated Anodyne O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)CCc2cccnc21 ZINC000038346496 HH Annotated Anodyne CC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000038395734 HH Annotated Mild CC[C@@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000038395735 HH Annotated Mild C=CC[C@]12C=C(OC)C(=O)[C@H]([C@@H](c3ccc(OC)c(OC)c3)[C@@H]1C)[C@@H]2OC(C)=O ZINC000038426882 HH Annotated Mild C/C=C\[C@H](O)[C@@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000038427128 HH Annotated Clean CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H]5C(=CC[C@@H]23)C(=O)O[C@@]5(O)C[C@@]4(C)O)O1 ZINC000038427611 HH Annotated Anodyne CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H]5C(=CC[C@@H]23)C(=O)O[C@]5(O)C[C@@]4(C)O)O1 ZINC000038427612 HH Annotated Anodyne CC1(C)OCC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 ZINC000038448253 HH Annotated Mild CC1(C)OCC2=C(C1=O)[C@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 ZINC000038448254 HH Annotated Mild CC1(C)OCC2=NC3=C(C(=O)COC3)[C@H](c3ccc(F)c(Br)c3)C2=C1O ZINC000038449488 HH Annotated Mild CC1(C)OCC2=NC3=C(C(=O)COC3)[C@@H](c3ccc(F)c(Br)c3)C2=C1O ZINC000038449489 HH Annotated Mild CC(C)N1CCC(COc2ncc(C(=O)c3ccc(Br)cc3)n2C)CC1 ZINC000038468198 HH Annotated Anodyne Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC1CCC1)CC2 ZINC000038497966 HH Annotated Anodyne COCC(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1 ZINC000038498337 HH Annotated Anodyne Cc1cc(NCCc2cc[nH]c(=O)c2)nc(-c2cc(F)c(Br)cc2F)n1 ZINC000038512911 HH Annotated Anodyne O[C@H]1[C@H](O)CO[C@@H](n2c3ccccc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)[C@@H]1O ZINC000038512998 HH Annotated Bother COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@@H](O)C2)cc1Cl ZINC000038558987 HH Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)CC[C@H](/C(=C\C[C@H]2OC2(C)C)COC(C)=O)[C@H]1C(=O)OC ZINC000038559074 HH Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)CC[C@H](/C(=C\C[C@@H]2OC2(C)C)COC(C)=O)[C@H]1C(=O)OC ZINC000038559075 HH Annotated Mild CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cc(C)c1=O ZINC000038559188 HH Annotated Anodyne CCCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O ZINC000038628570 HH Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)[C@H](O)C2)cc1Cl ZINC000038630053 HH Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)[C@@H](O)C2)cc1Cl ZINC000038630054 HH Annotated Mild C=C1C[C@H]2O[C@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1O ZINC000038652568 HH Annotated Mild C=C1C[C@@H]2O[C@H]3[C@H]4[C@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1O ZINC000038652574 HH Annotated Mild COc1cc2c(cc1Cc1cccc(Cl)c1Cl)c(=O)c(C(=O)O)cn2CCO ZINC000038652881 HH Annotated Anodyne C[C@H]1CC[C@@]23C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)[C@H]1[C@@H]2CC[C@@H]3C ZINC000038727385 HH Annotated Anodyne CCN(CC)CCNc1cccc2c1C(=O)c1c(NCCCCCO)cccc1C2=O ZINC000038807098 HH Annotated Clean [O-][n+]1cccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)c1 ZINC000038838837 HH Annotated Anodyne C=C1[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@H]2O[C@@H]([C@@H]1O)[C@H]1C(=C)CC[C@H](C(C)C)[C@@H]21 ZINC000038938868 HH Annotated Mild CO[C@H]1C=C2CC[C@@H]3[C@H](C[C@@H](O)[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]34O)[C@@]2(C)CC1 ZINC000038990967 HH Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)C(C)C)[C@@H]1[C@H]2OC(=O)/C(C)=C\C ZINC000039011386 HH Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](C4=CC(=O)O[C@@H]4O)OC[C@]3(O)CC[C@H]21 ZINC000039011406 HH Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CCc3c(cc4occc4c3C)[C@@]12C ZINC000039063841 HH Annotated Anodyne in-vitro biogenic COC(=O)[C@@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000039142272 HH Annotated Anodyne CC(C)=CC(=O)O[C@@H]1C[C@@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@@H]32)[C@@](O)(CO)C4)C(C)(C)C1=O ZINC000039143893 HH Annotated Anodyne CC(C)=CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@H]2C(C)(C)C1=O)C[C@]4(O)CO ZINC000039143894 HH Annotated Anodyne CC1=C[C@H]2C[C@H](C)[C@@H](O)[C@H](C)[C@H]2[C@H](/C=C(C)/C=C(C)\C=C\C(=O)O)/C1=C\C(=O)CO ZINC000039163273 HH Annotated Mild C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)C(C)C)[C@@H]1[C@H]2OC(=O)C=C(C)C ZINC000039163457 HH Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O)C4=C([C@H](O)OC4=O)[C@@]3(C)[C@H](O)C[C@H]21 ZINC000039181395 HH Annotated Anodyne C[C@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O ZINC000039308671 HH Annotated Anodyne C[C@@H](C(=O)OCCN1CCOCC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O ZINC000039308675 HH Annotated Anodyne CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C1(CCNCC1)O2 ZINC000039318377 HH Annotated Bother COc1ccccc1/C=C1\CN(C)CC2=C1OC(N)=C(C#N)[C@H]2c1ccccc1OC ZINC000039324377 HH Annotated Reactive COc1ccccc1/C=C1\CN(C)CC2=C1OC(N)=C(C#N)[C@@H]2c1ccccc1OC ZINC000039324378 HH Annotated Reactive CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCCN2C)C3)c1 ZINC000039353429 HH Annotated Anodyne CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@H]2CCCCN2C)C3)c1 ZINC000039353430 HH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004036929 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004036931 HH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004039044 HH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004039049 HH Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004039062 HH Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(C(C)C)cc1 ZINC000004039075 HH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004041851 HH Annotated Mild CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004041853 HH Annotated Mild CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004041855 HH Annotated Mild CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004041858 HH Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043303 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004043309 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004043413 HH Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004043416 HH Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCC#N)cc1 ZINC000004043419 HH Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCC#N)cc1 ZINC000004043421 HH Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004043461 HH Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004043463 HH Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCC#N)cc1 ZINC000004043465 HH Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCC#N)cc1 ZINC000004043466 HH Annotated Mild CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000004044920 HH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000004044921 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045362 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045364 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045368 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004045371 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004049110 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004049111 HH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004049112 HH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004049113 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004049130 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004049131 HH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004049132 HH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCN(CC)CC)cc1 ZINC000004049133 HH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004049298 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004049299 HH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004049300 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004049301 HH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004049314 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004049315 HH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004049316 HH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004049334 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004049335 HH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004049336 HH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004049535 HH Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004049536 HH Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004049537 HH Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004049538 HH Annotated Anodyne N#CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049597 HH Annotated Mild N#CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049598 HH Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049599 HH Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049600 HH Annotated Mild CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004049689 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004049690 HH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004049691 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004049692 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004050136 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004050139 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004050140 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004050141 HH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004050147 HH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004050148 HH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000004050151 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004050173 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004050174 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004050177 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004050180 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004050821 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004050822 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004050825 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004050827 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](CO)[C@H](C)CC)cc1 ZINC000004050851 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](CO)[C@@H](C)CC)cc1 ZINC000004050852 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](CO)[C@H](C)CC)cc1 ZINC000004050853 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](CO)[C@@H](C)CC)cc1 ZINC000004050854 HH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000004051181 HH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000004051182 HH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000004051185 HH Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000004051188 HH Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004051620 HH Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004051621 HH Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004051622 HH Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004051623 HH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004051719 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004051724 HH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004051728 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004051735 HH Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004052618 HH Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004052619 HH Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004052660 HH Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004052663 HH Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)c1OC ZINC000004052799 HH Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)c1OC ZINC000004052807 HH Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc(OC)c1 ZINC000004052962 HH Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc(OC)c1 ZINC000004052969 HH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004053225 HH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004053226 HH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004053227 HH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004053228 HH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004054055 HH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004054060 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004054062 HH Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc1OC ZINC000004054109 HH Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc1OC ZINC000004054110 HH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N(C)C ZINC000004054147 HH Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N(C)C ZINC000004054149 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004054598 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004054599 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004054601 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@@H](O)CC)cc1 ZINC000004054646 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@H](O)CC)cc1 ZINC000004054648 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@@H](O)CC)cc1 ZINC000004054651 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@H](O)CC)cc1 ZINC000004054654 HH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004055138 HH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004055139 HH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004055140 HH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004055141 HH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCCOC ZINC000004055354 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCCOC ZINC000004055355 HH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCCOC ZINC000004055356 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCCOC ZINC000004055357 HH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCOC)cc1 ZINC000004055374 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCOC)cc1 ZINC000004055375 HH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCOC)cc1 ZINC000004055376 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCOC)cc1 ZINC000004055377 HH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000004055632 HH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000004055633 HH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OC ZINC000004055634 HH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OC ZINC000004055635 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004055652 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004055653 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004055654 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004055655 HH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004055900 HH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004055901 HH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004055902 HH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004055903 HH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000004056080 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000004056081 HH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000004056090 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000004056091 HH Annotated Anodyne COc1ccc(Nc2ncc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc23)cc1 ZINC000004057044 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004075597 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004075598 HH Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004076296 HH Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004076301 HH Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004076308 HH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c1 ZINC000004077515 HH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c1 ZINC000004077522 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004077528 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004077549 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078085 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004078090 HH Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 ZINC000004078929 HH Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 ZINC000004078940 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080143 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080144 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004080193 HH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004080197 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004080749 HH Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004080750 HH Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCC#N)cc1 ZINC000004080752 HH Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCC#N)cc1 ZINC000004080753 HH Annotated Mild COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)c(OC)c1OC ZINC000004081354 HH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)c(OC)c1OC ZINC000004081356 HH Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004081665 HH Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004081666 HH Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004081668 HH Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004081669 HH Annotated Anodyne CC(/C=C/[C@H](O)C/C=C/C=C(\C)C(=O)N[C@@H](C)CO)=C\[C@@H](C)[C@@H](O)/C(C)=C/C(C)C ZINC000004102361 HH Annotated Anodyne in-vitro CC(/C=C/[C@@H](O)C/C=C/C=C(\C)C(=O)N[C@@H](C)CO)=C\[C@@H](C)[C@@H](O)/C(C)=C/C(C)C ZINC000004102362 HH Annotated Anodyne in-vitro COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc1 ZINC000004106132 HH Annotated Anodyne CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)cc1 ZINC000004106145 HH Annotated Anodyne COc1ccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1OC ZINC000004108201 HH Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004152029 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152031 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004152032 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152034 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004152493 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152494 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCN(CC)CC ZINC000004152495 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCN(CC)CC ZINC000004152496 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCC#N ZINC000004152786 HH Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCC#N ZINC000004152788 HH Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCC#N ZINC000004152790 HH Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCC#N ZINC000004152792 HH Annotated Mild CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCC#N)cc1 ZINC000004152822 HH Annotated Mild CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCC#N)cc1 ZINC000004152823 HH Annotated Mild CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004152825 HH Annotated Mild CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004152827 HH Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152923 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152925 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152927 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004152928 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCC#N ZINC000004153302 HH Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCC#N ZINC000004153304 HH Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCC#N ZINC000004153306 HH Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCC#N ZINC000004153308 HH Annotated Mild CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCC#N)c1 ZINC000004153317 HH Annotated Mild CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCC#N)c1 ZINC000004153319 HH Annotated Mild CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCC#N)c1 ZINC000004153321 HH Annotated Mild CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCC#N)c1 ZINC000004153323 HH Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCC#N ZINC000004153334 HH Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCC#N ZINC000004153335 HH Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCC#N ZINC000004153336 HH Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCC#N ZINC000004153337 HH Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153394 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153395 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004153396 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153567 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153568 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153569 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004153570 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153860 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153861 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153862 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004153863 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153941 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153942 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153943 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153944 HH Annotated Anodyne CC(C)COc1ccc(COC[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000004177305 HH Annotated Anodyne CC(C)COc1ccc(COC[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)cc1 ZINC000004177306 HH Annotated Anodyne CC(C)COc1ccc(COC[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000004177308 HH Annotated Anodyne CC(C)COc1ccc(COC[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)cc1 ZINC000004177313 HH Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C2=C1NC(=O)[C@@H](C(N)=O)[C@H]2c1ccc(Br)cc1 ZINC000004177728 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204884 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204885 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204886 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004204887 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N(C)C ZINC000004205028 HH Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N(C)C ZINC000004205029 HH Annotated Bother CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004205326 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004205329 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004205332 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004206256 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000004206258 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004206260 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000004206262 HH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004206504 HH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004206506 HH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004206508 HH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004206509 HH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCCOC ZINC000004207024 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCCOC ZINC000004207025 HH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCCOC ZINC000004207028 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCCOC ZINC000004207030 HH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCOC)cc1 ZINC000004207069 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCOC)cc1 ZINC000004207072 HH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCOC)cc1 ZINC000004207076 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCOC)cc1 ZINC000004207081 HH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004207581 HH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004207582 HH Annotated Anodyne COCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC ZINC000004207583 HH Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC ZINC000004207584 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004207601 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004207602 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004207603 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004207604 HH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004207972 HH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004207974 HH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004207977 HH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004207978 HH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CCOCC1 ZINC000004208257 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CCOCC1 ZINC000004208258 HH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000004208267 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000004208268 HH Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004208403 HH Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004208404 HH Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004208405 HH Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004208406 HH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c1 ZINC000004208530 HH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c1 ZINC000004208531 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004208882 HH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004208888 HH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)c(OC)c1OC ZINC000004211365 HH Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)c(OC)c1OC ZINC000004211372 HH Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004211773 HH Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004211776 HH Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004211778 HH Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004211780 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004212707 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004212709 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCOCCO ZINC000004212711 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCOCCO ZINC000004212713 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCO ZINC000004212807 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCO ZINC000004212810 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCO ZINC000004212812 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCO ZINC000004212815 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCOCCO ZINC000004213588 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCOCCO ZINC000004213591 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCOCCO ZINC000004213592 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCOCCO ZINC000004213593 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCOCCO ZINC000004213612 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCOCCO ZINC000004213615 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCOCCO ZINC000004213617 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCOCCO ZINC000004213618 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCOCCO ZINC000004213652 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCOCCO ZINC000004213654 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCOCCO ZINC000004213658 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCOCCO ZINC000004213661 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCC#N ZINC000004213947 HH Annotated Mild CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCC#N ZINC000004213948 HH Annotated Mild CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCC#N ZINC000004213950 HH Annotated Mild CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCC#N ZINC000004213952 HH Annotated Mild CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000004214876 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000004214880 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCCN1CCCC1=O ZINC000004214882 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCCN1CCCC1=O ZINC000004214884 HH Annotated Anodyne COCC(=O)N1CCC2(CC1)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000004238041 HH Annotated Anodyne O=C(c1csnn1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2 ZINC000004238164 HH Annotated Anodyne O=c1c(-c2ccc(F)cc2)nc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1 ZINC000004238216 HH Annotated Anodyne N#CCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(OCc3ccccc3)nc21 ZINC000004238356 HH Annotated Mild COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccccc3)nc21 ZINC000004238515 HH Annotated Anodyne N#CCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Oc3ccccc3)nc21 ZINC000004238577 HH Annotated Mild CCNc1ncc2nc(CCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2n1 ZINC000004238666 HH Annotated Anodyne O=c1c(-c2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C[C@H]1CCCO1 ZINC000004238803 HH Annotated Anodyne CCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(Cc3cccs3)c2n1 ZINC000004238977 HH Annotated Anodyne COc1ccc(Oc2ncc3nc(-c4cccs4)c(=O)n(CCC#N)c3n2)cc1 ZINC000004239170 HH Annotated Mild aggregator CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N(C)C ZINC000004294951 HH Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N(C)C ZINC000004294953 HH Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N(C)C ZINC000004294954 HH Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N(C)C ZINC000004294955 HH Annotated Bother CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295739 HH Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004295740 HH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295853 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295854 HH Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295855 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296090 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296092 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296095 HH Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296100 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCC#N ZINC000004296695 HH Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCC#N ZINC000004296696 HH Annotated Mild CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCC#N ZINC000004296697 HH Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCC#N ZINC000004296698 HH Annotated Mild CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004310434 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004310435 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCC(C)(C)CO ZINC000004310436 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCC(C)(C)CO ZINC000004310437 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004310482 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004310483 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004310484 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004310485 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004310522 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004310523 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000004310524 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000004310525 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCOCCO ZINC000004310638 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCOCCO ZINC000004310639 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCOCCO ZINC000004310640 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCOCCO ZINC000004310641 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000004310690 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000004310691 HH Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CCOCC1 ZINC000004310692 HH Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CCOCC1 ZINC000004310693 HH Annotated Anodyne CC1(C)[C@]2(C(=O)N3NC(=O)[C@@H](c4ccccc4)[C@@H]3c3ccccc3)CC[C@@]1(C)C(=O)O2 ZINC000004321899 HH Annotated Anodyne Cc1cc2nc(C3CCN(Cc4nnnn4Cc4cccs4)CC3)[nH]c2cc1C ZINC000004355427 HH Annotated Anodyne Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccco2)n1 ZINC000004411591 HH Annotated Anodyne COc1ccc(C(=O)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)cc1OC ZINC000040010109 HH Annotated Mild COc1ccc(-c2nsc3c(SCC(=O)NCc4ccco4)ncnc23)cc1 ZINC000040011093 HH Annotated Anodyne O=C(CN(Cc1ccco1)C(=O)c1cc2ccccc2oc1=O)Nc1ccccc1 ZINC000040011563 HH Annotated Anodyne FC(F)(F)c1cccc(N2CCN(CCc3nnc4n3C[C@H]3CCC[C@H]43)CC2)c1 ZINC000040163132 HH Annotated Anodyne FC(F)(F)c1cccc(N2CCN(CCc3nnc4n3C[C@@H]3CCC[C@@H]43)CC2)c1 ZINC000040163133 HH Annotated Anodyne C=C1[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O[C@H]([C@@H]1O)[C@H]1C(=C)CC[C@H](C(C)C)[C@H]12 ZINC000040379756 HH Annotated Mild COc1cc(N[C@@H](C)CCCNC(=O)n2nnc3ccccc32)c2ncccc2c1 ZINC000040379852 HH Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)n2nnc3ccccc32)c2ncccc2c1 ZINC000040379853 HH Annotated Anodyne N#Cc1c(N)nc(Sc2cccc(O)c2)c(C#N)c1-c1ccc2c(c1)OCCO2 ZINC000040380055 HH Annotated Mild N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000040380332 HH Annotated Mild COc1cc2cc(C(=O)N(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000040380443 HH Annotated Bother CC1(C)c2[nH]c3cc(Cl)c(Cl)cc3c2C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@H]13 ZINC000040380648 HH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc(C(=O)CN3CCCCC3)cc1)C2 ZINC000040380687 HH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc(C(=O)CN3CCCCC3)cc1)C2 ZINC000040380688 HH Annotated Anodyne O=S(=O)(N[C@H](CO)C(CC(F)(F)F)CC(F)(F)F)c1ccc(Cl)s1 ZINC000040391516 HH Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](O)[C@H](C)[C@H](C)C2 ZINC000040391713 HH Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@H]1c1ccccc1C ZINC000040392103 HH Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@@H]1c1ccccc1C ZINC000040392106 HH Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@H]1c1ccccc1C ZINC000040392109 HH Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@@H]1c1ccccc1C ZINC000040392112 HH Annotated Anodyne Cc1ccn(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)n1 ZINC000040392408 HH Annotated Anodyne COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@]23Cc2ccccc2C3=O)cc1 ZINC000040393082 HH Annotated Anodyne CC(C)(C)c1cc2c(N/N=C\c3cccc(CN4CCOCC4)n3)ncnc2s1 ZINC000040393248 HH Annotated Mild C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@@H]2O[C@@H]2C(=O)O1 ZINC000040394385 HH Annotated Mild Cc1c(C(=O)N(C)C)cccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O ZINC000040394500 HH Annotated Anodyne Cc1c(C(=O)N(C)C)cccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O ZINC000040394501 HH Annotated Anodyne Cc1cc(C(=O)N(C)C)ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O ZINC000040395102 HH Annotated Anodyne Cc1cc(C(=O)N(C)C)ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O ZINC000040395103 HH Annotated Anodyne COCc1nnc(-c2cnc(-c3cccc(C)c3C)cn2)n1-c1ccc(OC)nc1 ZINC000040395287 HH Annotated Anodyne C[C@H]1NC(Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)=NNC1=O ZINC000040395428 HH Annotated Mild CN1C(=O)/C(=C/c2ccc(/C=C/C(=O)NCc3ccncc3)s2)Oc2ccccc21 ZINC000040395436 HH Annotated Anodyne CCCC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@H]3C(=O)O[C@H]4O[C@@H](O)[C@@]12[C@H]43 ZINC000040403973 HH Annotated Anodyne CCCC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]2CC[C@H]3C(=O)O[C@H]4O[C@@H](O)[C@]21[C@H]43 ZINC000040403976 HH Annotated Anodyne CCCCN(Cc1ccc(F)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040405062 HH Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc(SC)c1OC ZINC000040405098 HH Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc(SC)c1OC ZINC000040405101 HH Annotated Anodyne C=C=CC[C@@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC[C@@H]3O[C@@]3(C)CC[C@H]12 ZINC000040405343 HH Annotated Mild C=C=CC[C@H](OC(C)=O)C1=CO[C@H](OC(C)=O)[C@H]2C(=C)CC[C@@H]3O[C@@]3(C)CC[C@H]12 ZINC000040405347 HH Annotated Mild Cc1ccc(CN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)C(C)C)cc1 ZINC000040407606 HH Annotated Anodyne Cc1ccc(CN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)C(C)C)cc1 ZINC000040407610 HH Annotated Anodyne Nc1nc(N)c2c(n1)N(c1cccc(Cl)c1)c1ccc(Cl)cc1S2(=O)=O ZINC000040408009 HH Annotated Anodyne CCCCN(Cc1ccccc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040408367 HH Annotated Anodyne CCCCN(Cc1ccccc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040408371 HH Annotated Anodyne O=C1OCC2=C1[C@H](c1cncc(-c3ccc(F)cc3)c1)c1cc3c(cc1N2)OCO3 ZINC000040408562 HH Annotated Anodyne O=C1OCC2=C1[C@@H](c1cncc(-c3ccc(F)cc3)c1)c1cc3c(cc1N2)OCO3 ZINC000040408566 HH Annotated Anodyne C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCc3ccccc3)nn2)O1 ZINC000040409569 HH Annotated Mild C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCN(C4CCCCC4)CC3)[C@@H]2CC1 ZINC000040411193 HH Annotated Anodyne C=CC(C)(C)[C@]12C[C@@H]3C(=O)Nc4ccccc4C(=O)N3[C@H]1N(C(C)=O)c1ccccc12 ZINC000040412349 HH Annotated Mild CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCc3ccccc3)nn2)O1 ZINC000040412858 HH Annotated Mild Cc1nc2nc3nc(=S)[nH]c(O)c3c(-c3ccc(N4CCCCC4)cc3)c2c(=O)[nH]1 ZINC000040413930 HH Annotated Bother COc1ccc(-n2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1Br ZINC000040414087 HH Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccc(N(C)C)c3)n2n1 ZINC000040421003 HH Annotated Anodyne CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccccc3)nn2)O1 ZINC000040421029 HH Annotated Mild COc1c(CCC(C)(C)O)c(O)cc2oc(=O)c3c4cc(O)c(O)cc4oc3c12 ZINC000040421273 HH Annotated Clean Cc1ccc(C)c(N2c3cc(Cl)ccc3S(=O)(=O)c3c(N)nc(N)nc32)c1 ZINC000040421510 HH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ccccc2-c2c(O)ccc3c2OCO3)ccc1F ZINC000040421634 HH Annotated Mild N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000040421654 HH Annotated Mild O=C(Nc1cccc2nsnc12)N1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000040421769 HH Annotated Anodyne COc1ccc(CCN2CCn3nc(-c4ccc(Cl)cc4)cc3C2=O)cc1OC ZINC000040422015 HH Annotated Anodyne C=CCN1C[C@H]2[C@H](Oc3ccccc3)CC[C@@H]1CN2Cc1ccc(OC)cc1OC ZINC000040422917 HH Annotated Mild CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000040423691 HH Annotated Anodyne C/C(=C\[C@@H](O)[C@H](C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C ZINC000040424331 HH Annotated Mild COc1ccc(C(=O)N(c2cc(C)ccn2)C2CCN(c3cc(N)ccn3)CC2)cc1 ZINC000040428720 HH Annotated Anodyne CCCCOC(=O)c1c(O)cc(C)cc1Oc1c(OC)cc(O)cc1C(=O)OC ZINC000040429288 HH Annotated Anodyne O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccccc21 ZINC000040430895 HH Annotated Anodyne C[C@@H](O)/C=C/[C@](C)(O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C ZINC000040430938 HH Annotated Mild CCN(CC)C(=O)c1c(N(CC(C)C)C(C)=O)c2cccnc2n2c(C(C)C)nnc12 ZINC000040431081 HH Annotated Anodyne N#Cc1ccccc1C(=O)NCc1cccc(-c2cccc(CN3CCNCC3)c2)c1 ZINC000040431308 HH Annotated Mild CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccn1 ZINC000040447574 HH Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccn1 ZINC000040447576 HH Annotated Reactive COCC(=O)N(c1ccccc1OC)[C@H]1CCN(CCc2cccs2)C[C@H]1C ZINC000040460567 HH Annotated Anodyne Cc1nsc(-c2nccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)n1 ZINC000040465923 HH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@H](C2)[C@@H]1C ZINC000040506065 HH Annotated Anodyne CCOC(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1cc(Cl)ccc1N ZINC000040563944 HH Annotated Anodyne CCCCC1=C(C)C(=O)[C@@](C)(CN2c3ccc(Cl)cc3[C@]3(O)CCO[C@H]23)C1=O ZINC000040564852 HH Annotated Mild O=c1c2ccccc2c(Cc2ccc3c(c2)OCO3)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000040564888 HH Annotated Bother CCOc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCCCC2)c1 ZINC000040565078 HH Annotated Clean CN1CCN(c2cc[nH]c3nc(-c4nc(CCc5ccc(Cl)cc5)no4)cc2-3)CC1 ZINC000040566932 HH Annotated Anodyne O=C1O[C@@H](COc2ccccn2)CN1c1ccc(N2Cc3cccnc3C2)c(F)c1 ZINC000040567009 HH Annotated Anodyne O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC(F)CC3)co2)cc1 ZINC000040567114 HH Annotated Anodyne Cc1cccc(OC[C@H]2CN(c3ccc(N4Cc5cccnc5C4)c(F)c3)C(=O)O2)n1 ZINC000040567292 HH Annotated Anodyne O=C(Cc1ccc(F)cc1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 ZINC000040567462 HH Annotated Anodyne CC(C)[C@@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040567567 HH Annotated Mild O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC[C@H](F)C3)co2)cc1 ZINC000040567692 HH Annotated Anodyne O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC[C@@H](F)C3)co2)cc1 ZINC000040567694 HH Annotated Anodyne CC[C@H]1OC(O)=C2C1=NC1=C(C(=O)OCC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040567961 HH Annotated Anodyne CC[C@@H]1OC(O)=C2C1=NC1=C(C(=O)OCC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040568094 HH Annotated Anodyne CC[C@H]1OCC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(C)c(Br)c1 ZINC000040568140 HH Annotated Mild CCC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040568147 HH Annotated Mild COc1cc(C2=NN(C(C)=O)[C@H](c3cccc(C(F)(F)F)c3)O2)cc(OC)c1OC ZINC000040568395 HH Annotated Anodyne COc1cc(C2=NN(C(C)=O)[C@@H](c3cccc(C(F)(F)F)c3)O2)cc(OC)c1OC ZINC000040568397 HH Annotated Anodyne CC[C@H]1OCC(=O)C2=C1N=C1COC(O)=C1[C@@H]2c1ccc(F)c(Br)c1 ZINC000040568544 HH Annotated Mild CC[C@@H]1OCC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 ZINC000040568633 HH Annotated Mild O=S(=O)(NCCCCO)c1ccc(-c2ccc(F)cc2F)c(C(F)(F)F)c1 ZINC000040575405 HH Annotated Anodyne O=C(Cc1cccc(F)c1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 ZINC000040575481 HH Annotated Anodyne COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(C(F)(F)F)cc3)O2)cc(OC)c1OC ZINC000040576080 HH Annotated Anodyne COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc(C(F)(F)F)cc3)O2)cc(OC)c1OC ZINC000040576082 HH Annotated Anodyne CC1(C)OCC(=O)C2=C1N=C1COC(O)=C1[C@H]2c1ccc(F)c(Br)c1 ZINC000040576104 HH Annotated Mild CC1(C)OCC(=O)C2=C1N=C1COC(O)=C1[C@@H]2c1ccc(F)c(Br)c1 ZINC000040576106 HH Annotated Mild CCC[C@@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040576328 HH Annotated Mild CC[C@@H]1OCC(=O)C2=C1N=C1COC(O)=C1[C@@H]2c1ccc(F)c(Br)c1 ZINC000040576367 HH Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2C)cc1C(=O)O ZINC000040584706 HH Annotated Mild CC(C)[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000040602256 HH Annotated Anodyne CC(C)[C@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000040602259 HH Annotated Anodyne CC(C)[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000040602262 HH Annotated Anodyne CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000040602455 HH Annotated Anodyne CC[C@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000040602458 HH Annotated Anodyne CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000040602460 HH Annotated Anodyne CC1(C)OC(O)=C2C1=NC1=C(C(=O)COC1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000040617225 HH Annotated Mild CC1(C)OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040617227 HH Annotated Mild CCCOC(=O)[C@@H]1[C@@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@@H]1C(=O)OCCC(C)(C)C ZINC000040632490 HH Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@@H]1C(=O)OCCC(C)(C)C ZINC000040632492 HH Annotated Anodyne COc1ccc2onc(/C(C#N)=C/c3ccc(OCCN4CCOCC4)cc3)c2c1 ZINC000040640680 HH Annotated Reactive Cc1nsc(-c2ccnc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)n1 ZINC000040640939 HH Annotated Anodyne CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1cccnc1 ZINC000040685694 HH Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1cccnc1 ZINC000040685697 HH Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)c3nc4ccccc4s3)cc2)C(=O)O1 ZINC000040741605 HH Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C\c2ccccc2)C3=O)C(=O)O1 ZINC000040753202 HH Annotated Mild c1cc(NC2=NCCN2)ccc1CCCCCCc1ccc(NC2=NCCN2)cc1 ZINC000040762405 HH Annotated Anodyne COC(=O)c1cc(-c2cc(OC)ccc2OC)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000040762848 HH Annotated Anodyne O=C(Cc1ccc(O)cc1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 ZINC000040763213 HH Annotated Anodyne O=C(Cc1ccccc1F)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 ZINC000040764175 HH Annotated Anodyne CC[C@@H]1OCC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040764176 HH Annotated Mild COC(=O)CCN[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 ZINC000040764286 HH Annotated Anodyne COC(=O)CCN[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 ZINC000040764287 HH Annotated Anodyne CC[C@H]1OCC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 ZINC000040764392 HH Annotated Mild CN(C)C(=O)c1c[nH]c([C@H](O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 ZINC000040764416 HH Annotated Anodyne CN(C)C(=O)c1c[nH]c([C@@H](O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 ZINC000040764417 HH Annotated Anodyne CC(C)[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040766745 HH Annotated Mild COc1ccccc1NC(=O)N1N=C(C)N(C(=O)Nc2ccccc2OC)N=C1C ZINC000040791375 HH Annotated Anodyne CCCCC1=C(C)C(=O)[C@@](C)(CN2c3ccccc3[C@]3(OC(C)=O)CCO[C@H]23)C1=O ZINC000040810665 HH Annotated Mild CC[C@H]1OCC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040812331 HH Annotated Mild O=C(Cc1ccccc1O)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 ZINC000040812359 HH Annotated Anodyne O=C(Cc1cccc(O)c1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 ZINC000040812614 HH Annotated Anodyne COc1cc(C2=NN(C(C)=O)[C@H](c3ccccc3C(F)(F)F)O2)cc(OC)c1OC ZINC000040822526 HH Annotated Anodyne COc1cc(C2=NN(C(C)=O)[C@@H](c3ccccc3C(F)(F)F)O2)cc(OC)c1OC ZINC000040822529 HH Annotated Anodyne COc1cc(/C=C/c2cc3c(c(=O)o2)-c2cc(O)c(O)cc2[C@H](OC)O3)ccc1O ZINC000040829199 HH Annotated Clean COc1cc(/C=C/c2cc3c(c(=O)o2)-c2cc(O)c(O)cc2[C@@H](OC)O3)ccc1O ZINC000040829201 HH Annotated Clean COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)n1nnnc1C ZINC000040835081 HH Annotated Anodyne COc1cc(NS(=O)(=O)c2ccc3[nH]c4ccncc4c3c2)cc(OC)c1OC ZINC000040835961 HH Annotated Anodyne O=CC1=C[C@]2(O)CC/C=C\CCCCN3CC[C@H]1[C@@]1(C[C@H]4C=CCCCCN4[C@@H]12)C3 ZINC000040836077 HH Annotated Reactive C=C1[C@H](O)C[C@H]2[C@@](C)(COC(C)=O)C[C@H](O)C[C@]2(C)[C@H]1CC/C(C)=C\COC(C)=O ZINC000040845765 HH Annotated Mild COC(=O)c1ccc(-c2c(C#N)c(N)nc(Sc3cccc(O)c3)c2C#N)cc1 ZINC000040846471 HH Annotated Mild CCN(CC)CCC(=O)c1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040846604 HH Annotated Anodyne CCN(CC)CCC(=O)c1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040846606 HH Annotated Anodyne COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccc(OC)c(Cl)c1 ZINC000040847018 HH Annotated Anodyne CC1(C)c2[nH]c3ccc(Cl)c(Cl)c3c2C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@H]13 ZINC000040847253 HH Annotated Anodyne N#Cc1c(N)nc(Sc2ccc(O)cc2)c(C#N)c1-c1ccc2c(c1)OCCO2 ZINC000040847961 HH Annotated Mild N#Cc1c(N)nc(Sc2ccccc2O)c(C#N)c1-c1ccc2c(c1)OCCO2 ZINC000040847962 HH Annotated Mild CCN(C)CCCC(=O)c1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040848122 HH Annotated Anodyne CCN(C)CCCC(=O)c1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 ZINC000040848123 HH Annotated Anodyne O=C1/C(=N\NS(=O)(=O)c2ccccc2)c2ccccc2N1CCC1CCCCC1 ZINC000040849011 HH Annotated Mild C=CCOc1ccc(OC)cc1CCNC(=S)Nc1ccc(Br)cn1 ZINC000040861189 HH Annotated Mild Cc1ccc2c(c1)c1nnc(SCc3ccc(CC(=O)O)cc3)nc1n2C(=O)O ZINC000040861276 HH Annotated Anodyne Cc1nc(N(C)C)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21 ZINC000040861620 HH Annotated Anodyne O=C1CCCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000040862104 HH Annotated Anodyne CCN1CCN(c2nc3c(S(=O)(=O)c4cccc5ccccc45)cccc3o2)CC1 ZINC000040862367 HH Annotated Anodyne COc1cc(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC ZINC000040863076 HH Annotated Bother O=C(/C=C/c1ccc(/C=C2\Oc3ccccc3NC2=O)s1)NCc1ccccn1 ZINC000040863168 HH Annotated Anodyne COc1cc2c(c3c1C(=O)C[C@@H](c1ccccc1)O3)[C@H]1[C@@H](O2)OC(C)(C)[C@@H]1OC(C)=O ZINC000040864203 HH Annotated Anodyne Cc1cc(C)nc(NC(=S)NC(=O)[C@@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 ZINC000040864233 HH Annotated Anodyne Cc1cc(C)nc(NC(=S)NC(=O)[C@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 ZINC000040864235 HH Annotated Anodyne Cc1cc(C)nc(NC(=S)NC(=O)[C@@H]2[C@@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 ZINC000040864237 HH Annotated Anodyne Cc1cc(C)nc(NC(=S)NC(=O)[C@H]2[C@@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 ZINC000040864239 HH Annotated Anodyne COc1cc([C@@H](O)[C@@H](C)[C@@H](C)Cc2cc(OC)c3c(c2)OCO3)cc(O)c1OC ZINC000040865849 HH Annotated Anodyne C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(C3(C(N)=O)CC3)cc2)S1)c1ccc(F)cc1 ZINC000040865919 HH Annotated Anodyne C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C3(C(N)=O)CC3)cc2)S1)c1ccc(F)cc1 ZINC000040865921 HH Annotated Anodyne CC1(C)c2[nH]c3cc(Cl)c(Cl)cc3c2C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@@H]13 ZINC000040867086 HH Annotated Anodyne Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2cnccn2)c2cccnc12 ZINC000040873983 HH Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C[C@H]3CSC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000040874175 HH Annotated Anodyne CN1C(=O)/C(=C/c2ccc(/C=C/C(=O)NCc3cccnc3)s2)Oc2ccccc21 ZINC000040874304 HH Annotated Anodyne COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)C(=O)N3CCN(C)C ZINC000040875233 HH Annotated Bother CCN1CCN(c2cc3[nH]c(C(=O)C4(C)CCC(=O)CC4)nc3cc2Cl)CC1 ZINC000040875747 HH Annotated Anodyne O=C(NNC(=S)Nc1ccc(F)cc1)c1nc(-c2cccc3ccccc23)no1 ZINC000040876169 HH Annotated Reactive COc1cc2c(c(O)c1OC)-c1c(cc(O)c(OC)c1OC)[C@@H](O)[C@H](C)[C@H](C)C2 ZINC000040877455 HH Annotated Anodyne CC(=O)c1c(NCCN(C)C)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000040878881 HH Annotated Anodyne CN1CCN(Cc2ccccc2NC(=O)c2cccc3c2C(=O)c2ccccc2-3)CC1 ZINC000040879083 HH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]c1NNC(=O)Cc1ccc(OC)cc1 ZINC000040892714 HH Annotated Reactive CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@@H]5C(=CC[C@@H]23)C(=O)O[C@@]5(O)C[C@@]4(C)O)O1 ZINC000040894914 HH Annotated Anodyne CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@@H]5C(=CC[C@@H]23)C(=O)O[C@]5(O)C[C@@]4(C)O)O1 ZINC000040894917 HH Annotated Anodyne C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@](C)(OC(C)=O)CC[C@@H]3C(C)C)[C@](C)(OC(C)=O)CC[C@@H]1O ZINC000040895095 HH Annotated Mild CCNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c(C)c1 ZINC000040895866 HH Annotated Anodyne CCNC(=O)c1ccc([C@H]2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c(C)c1 ZINC000040895869 HH Annotated Anodyne COc1cc(OS(=O)(=O)c2ccc3[nH]c4ccncc4c3c2)cc(OC)c1OC ZINC000040896082 HH Annotated Anodyne Cc1ccc(C)c(N2c3ccc(Cl)cc3S(=O)(=O)c3c(N)nc(N)nc32)c1 ZINC000040897358 HH Annotated Anodyne C[C@@H](c1ccncc1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000040898465 HH Annotated Anodyne CCNC(=O)c1ccc(C)c([C@@H]2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c1 ZINC000040898807 HH Annotated Anodyne CCNC(=O)c1ccc(C)c([C@H]2CCCN2C(=O)c2cc(Cl)c(O)cc2O)c1 ZINC000040898810 HH Annotated Anodyne CCOC(=O)C[C@@H]1CC2=C(C(=O)c3ccccc3C2=O)[C@@H](COCc2ccccc2)O1 ZINC000040899037 HH Annotated Mild COc1ccc(N2C(=S)NN=C3N(c4ccccc4)C(=O)c4ccccc4N32)cc1 ZINC000040899258 HH Annotated Anodyne Nc1nc(N)c2c(n1)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1S2(=O)=O ZINC000040899402 HH Annotated Anodyne C[C@@H]1CN(CCCc2ccncc2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000040899527 HH Annotated Anodyne COc1cc([C@]2(C)C3=C(COC3=O)Nc3cc(Cl)ccc32)cc(OC)c1OC ZINC000040899555 HH Annotated Anodyne COc1cc([C@@]2(C)C3=C(COC3=O)Nc3cc(Cl)ccc32)cc(OC)c1OC ZINC000040899558 HH Annotated Anodyne Cc1ccc2c(c1)C(=O)N(CCOC(=S)Nc1ccc(Br)cc1)C2=O ZINC000040900728 HH Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(F)c(Br)c1)c1cc3c(cc1N2)OCO3 ZINC000040913370 HH Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(F)c(Br)c1)c1cc3c(cc1N2)OCO3 ZINC000040913371 HH Annotated Anodyne Cc1ccc2c(c1)C(=O)N(CCOC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2=O ZINC000040913849 HH Annotated Bother CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccc(NC(C)=O)c3)n2n1 ZINC000040913935 HH Annotated Anodyne COc1ccccc1Cn1c(=O)n(-c2cccc(C)c2)c2nc(NC3CC3)ncc21 ZINC000040914075 HH Annotated Anodyne Sc1nnc(CO[C@@H](Cn2nnc(-c3ccccc3)n2)c2ccc(Cl)cc2)o1 ZINC000040914077 HH Annotated Anodyne Sc1nnc(CO[C@H](Cn2nnc(-c3ccccc3)n2)c2ccc(Cl)cc2)o1 ZINC000040914078 HH Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccc(C(C)=O)c3)n2n1 ZINC000040914240 HH Annotated Anodyne CCCN(Cc1ccccc1C)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040915966 HH Annotated Anodyne Cc1ccccc1CN(C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C(C)C ZINC000040916308 HH Annotated Anodyne Cc1ccccc1CN(C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C(C)C ZINC000040916310 HH Annotated Anodyne COc1ccc(C2=C(OC(C)=O)Cc3c(OC(C)=O)cc(OC)c(OC)c3O2)cc1 ZINC000040916936 HH Annotated Anodyne COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1Br ZINC000040917267 HH Annotated Anodyne CCc1ccc(CN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)C(C)C)cc1 ZINC000040918011 HH Annotated Anodyne CCc1ccc(CN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)C(C)C)cc1 ZINC000040918012 HH Annotated Anodyne CCCCN(Cc1ccccc1F)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040918306 HH Annotated Anodyne CCCCN(Cc1ccccc1F)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040918307 HH Annotated Anodyne COc1cc(-c2c(C#N)c(=O)oc3cc(N)ccc23)cc(Br)c1OC ZINC000040918324 HH Annotated Mild COc1ccc(CCN2c3cc(OC)ccc3OS(=O)(=O)c3cccnc32)cc1 ZINC000040918342 HH Annotated Anodyne CC(C)(C)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[nH]2)cc1 ZINC000040918434 HH Annotated Anodyne CCCN(Cc1ccc(C)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040918448 HH Annotated Anodyne CCCN(Cc1ccc(C)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040918449 HH Annotated Anodyne O=C(CNC(=O)c1ccc(F)cc1)NCC1c2ccccc2CCc2ccccc21 ZINC000040918518 HH Annotated Anodyne Cn1c(CN2C[C@@H]3C(COc4ccc(C(F)(F)F)cc4)[C@@H]3C2)nc2ncccc21 ZINC000040918544 HH Annotated Anodyne CCCCN(Cc1cccc(F)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040918577 HH Annotated Anodyne CCCCN(Cc1cccc(F)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000040918578 HH Annotated Anodyne CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21 ZINC000040918747 HH Annotated Anodyne CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000040918825 HH Annotated Anodyne CC[C@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000040918826 HH Annotated Anodyne CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000040918827 HH Annotated Anodyne O=C([C@@H]1CCc2c(Cl)cc(NCc3ccc(F)c(F)c3)c(=O)n21)N1CCCC1 ZINC000040918913 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)CN=[N+]=[N-])cc1 ZINC000040933105 HH Annotated Clean Cc1nc2c3c(c(C(=O)N4CCOCC4)cn2c1C)CC[C@]1(CCc2ccccc21)O3 ZINC000040933491 HH Annotated Anodyne Cc1nc2c3c(c(C(=O)N4CCOCC4)cn2c1C)CC[C@@]1(CCc2ccccc21)O3 ZINC000040933493 HH Annotated Anodyne COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000040933529 HH Annotated Anodyne O=S(=O)(N[C@H](CO)C(c1ccccc1)c1ccccc1)c1ccc(Cl)s1 ZINC000040933713 HH Annotated Anodyne Cc1nc2c3c(c(C(=O)N4CC(F)C4)cn2c1C)CC[C@]1(CCc2ccccc21)O3 ZINC000040934250 HH Annotated Anodyne Cc1nc2c3c(c(C(=O)N4CC(F)C4)cn2c1C)CC[C@@]1(CCc2ccccc21)O3 ZINC000040934251 HH Annotated Anodyne CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCc3ccccc3)nn2)O1 ZINC000040935161 HH Annotated Mild CC(C)c1cnn2c(NCc3ccc(Cl)cc3)nc(N[C@@H](CO)C(C)C)nc12 ZINC000040935411 HH Annotated Anodyne CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(N)=O)c2)o1 ZINC000040936068 HH Annotated Clean CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCC3CCCC3)nn2)O1 ZINC000040936227 HH Annotated Mild C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCC3CCCC3)nn2)O1 ZINC000040936251 HH Annotated Mild C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CC3=CCCCC3)nn2)O1 ZINC000040936253 HH Annotated Mild CCCCCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CCCC3)O2)nn1 ZINC000040936289 HH Annotated Mild COc1cc(OC)cc([C@@H]2OC[C@@H]3[C@@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)c1 ZINC000040936308 HH Annotated Anodyne Cc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)cc1 ZINC000040937412 HH Annotated Anodyne O=C(CSc1ncnc2sc3c(c12)CCCC3)NCc1cccc2c1OCO2 ZINC000040938057 HH Annotated Anodyne Oc1ncnc2nc3nc(=S)[nH]c(O)c3c(-c3ccc(N4CCCCC4)cc3)c12 ZINC000040938659 HH Annotated Bother CC1(C)OS(=O)(=O)C2=C1Nc1cc3c(cc1[C@H]2c1cccc(Cl)c1)OCO3 ZINC000040939272 HH Annotated Mild CC1(C)OS(=O)(=O)C2=C1Nc1cc3c(cc1[C@@H]2c1cccc(Cl)c1)OCO3 ZINC000040939274 HH Annotated Mild CCOc1cc2c(cc1OCC)[C@@H](c1cc(OC)cc(OC)c1)C1=C(COC1=O)N2 ZINC000040939696 HH Annotated Anodyne CCOc1cc2c(cc1OCC)[C@H](c1cc(OC)cc(OC)c1)C1=C(COC1=O)N2 ZINC000040939698 HH Annotated Anodyne O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1c[nH]ccc1=O ZINC000040939738 HH Annotated Anodyne COc1cc(Nc2cncc(Oc3ccc4c(c3)OC(=O)CC4)n2)cc(OC)c1OC ZINC000040943369 HH Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(Nc4cc5c(cc42)OCO5)C(C)(C)COC3=O)c1 ZINC000040943456 HH Annotated Anodyne COc1cc(OC)cc([C@H]2C3=C(Nc4cc5c(cc42)OCO5)C(C)(C)COC3=O)c1 ZINC000040943458 HH Annotated Anodyne Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3C)cc2)no1 ZINC000040949491 HH Annotated Anodyne CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000040950088 HH Annotated Anodyne CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000040950090 HH Annotated Anodyne C=CCN1C[C@@H]2[C@@H](Oc3ccccc3)CC[C@H]1CN2Cc1ccc(OC)cc1OC ZINC000040951312 HH Annotated Mild Cc1ccc(Nc2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1 ZINC000040951490 HH Annotated Anodyne CSc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2cccnc2C)C(C)(C)C)cc1 ZINC000040951602 HH Annotated Mild CSc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2cccnc2C)C(C)(C)C)cc1 ZINC000040951604 HH Annotated Mild COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@@H](O)CCC(C)C)cccc3nc12 ZINC000040954323 HH Annotated Bother COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@H](O)CCC(C)C)cccc3nc12 ZINC000040954325 HH Annotated Bother COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@@H](O)CCC(C)C)cccc3nc12 ZINC000040954327 HH Annotated Bother COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@H](O)CCC(C)C)cccc3nc12 ZINC000040954329 HH Annotated Bother C[C@H](O)/C=C/[C@](C)(O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C ZINC000040955376 HH Annotated Mild C=CCN1C[C@H]2[C@@H](Oc3ccccc3)CC[C@@H]1CN2Cc1ccc(OC)cc1OC ZINC000040955607 HH Annotated Mild CCOC(=O)[C@]1(C)CN(C(=O)CN(CC)CC)c2c(C)c(Cl)c(C)c(C)c2O1 ZINC000040955958 HH Annotated Anodyne CCOC(=O)[C@@]1(C)CN(C(=O)CN(CC)CC)c2c(C)c(Cl)c(C)c(C)c2O1 ZINC000040955961 HH Annotated Anodyne C=CCN1C[C@@H]2[C@H](Oc3ccccc3)CC[C@H]1CN2Cc1ccc(OC)cc1OC ZINC000040956535 HH Annotated Mild Nc1ccnc(N2CCC(C(=O)N3CCc4ccccc4C3)(c3ccccc3)CC2)c1 ZINC000040972519 HH Annotated Anodyne O=C1OC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 ZINC000040973235 HH Annotated Anodyne CC1=CC(=O)O[C@@H]1C/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@](C)(CO)[C@@H]2[C@@H](O)C[C@@]1(C)O ZINC000040973894 HH Annotated Anodyne Cc1cc2occ(/C=C(/c3ccc([N+](=O)[O-])cc3)c3nnn[nH]3)c(=O)c2cc1Cl ZINC000040974602 HH Annotated Bother COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CNC(=O)[C@H](C)Cl)cc1 ZINC000040974658 HH Annotated Reactive COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CNC(=O)[C@@H](C)Cl)cc1 ZINC000040974660 HH Annotated Reactive COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CNC(=O)[C@H](C)Cl)cc1 ZINC000040974662 HH Annotated Reactive COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CNC(=O)[C@@H](C)Cl)cc1 ZINC000040974664 HH Annotated Reactive O=C1OC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 ZINC000040975200 HH Annotated Anodyne C/C(=C\[C@H](O)[C@H](C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C ZINC000040975681 HH Annotated Mild N#Cc1ccc(N2CCN(c3nnc(Cc4ccc(F)cc4)c4ccccc34)CC2)nc1 ZINC000040975889 HH Annotated Mild N#Cc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1 ZINC000040976510 HH Annotated Mild COC(=O)[C@H](c1cccc2nc3c(C(=O)O)cccc3nc12)[C@@H](O)CCCC(C)C ZINC000040976798 HH Annotated Bother COC(=O)[C@H](c1cccc2nc3c(C(=O)O)cccc3nc12)[C@H](O)CCCC(C)C ZINC000040976800 HH Annotated Bother COC(=O)[C@@H](c1cccc2nc3c(C(=O)O)cccc3nc12)[C@@H](O)CCCC(C)C ZINC000040976802 HH Annotated Bother COC(=O)[C@@H](c1cccc2nc3c(C(=O)O)cccc3nc12)[C@H](O)CCCC(C)C ZINC000040976804 HH Annotated Bother CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000040979646 HH Annotated Bother C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(C(C)(C)C(N)=O)cc2)S1)c1ccc(F)cc1 ZINC000040981009 HH Annotated Anodyne C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C(C)(C)C(N)=O)cc2)S1)c1ccc(F)cc1 ZINC000040981011 HH Annotated Anodyne CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=C/C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000410428663 HH Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)C4=C([C@H](O)OC4=O)[C@@]3(C)[C@H](O)C[C@H]21 ZINC000042878188 HH Annotated Anodyne COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(OC(F)(F)F)ccc32)c1 ZINC000042879046 HH Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(OC(F)(F)F)ccc32)c1 ZINC000042879050 HH Annotated Anodyne CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000042888898 HH Annotated Anodyne Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2ccc(N)cc2)s1 ZINC000042967215 HH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccc(N)cc2)s1 ZINC000042967217 HH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2ccc(N)cc2)s1 ZINC000042967219 HH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2ccc(N)cc2)s1 ZINC000042967221 HH Annotated Reactive COc1ccc(C2=NO[C@H](c3noc(-c4ccccc4N(C)C(=O)O)n3)C2)cc1F ZINC000042989888 HH Annotated Anodyne COc1ccc(C2=NO[C@@H](c3noc(-c4ccccc4N(C)C(=O)O)n3)C2)cc1F ZINC000042989890 HH Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OC(C)C)c3ccccc32)nc2ccccc21 ZINC000043009062 HH Annotated Mild COCCCn1c(CN2C(=O)/C(=N/OCC3CC3)c3ccccc32)nc2ccccc21 ZINC000043009207 HH Annotated Mild CC(C)(C)O/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCCO)c2ccccc21 ZINC000043010555 HH Annotated Mild COc1cc2nc3c(cc2c(CN2CCN(C)CC2)c1O)CSc1ccccc1-3 ZINC000043010631 HH Annotated Clean CNC(=O)OCc1c(COC(=O)NC)c(-c2ccccc2)n2c1Cc1ccccc1-2 ZINC000043012299 HH Annotated Anodyne CCn1cc(-c2nc3ccccc3o2)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 ZINC000043015672 HH Annotated Anodyne CCn1cc(-c2nc3ccccc3o2)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 ZINC000043015676 HH Annotated Anodyne CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CC(C)C)CC3)oc(=O)c12 ZINC000043016150 HH Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OCCCF)c3ccccc32)nc2ccccc21 ZINC000043017070 HH Annotated Mild C=CCCO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCOC)c2ccccc21 ZINC000043020247 HH Annotated Mild O=S(=O)(c1ccccc1)c1ccc(-c2nnc(S)n2/N=C/c2ccco2)cc1 ZINC000043020515 HH Annotated Mild Cc1cccc(C)c1NC(=O)CN1C[C@@H]2CC[C@H](C1)N2c1ncnc2sccc12 ZINC000043020993 HH Annotated Anodyne O=C(OCCO)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000043021833 HH Annotated Anodyne CCCO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCOC)c2ccccc21 ZINC000043024087 HH Annotated Mild C=CCO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCOC)c2ccccc21 ZINC000043024178 HH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OCC)c2ccc(Cl)cc2)cc1OC ZINC000043025330 HH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OCC)c2ccc(Cl)cc2)cc1OC ZINC000043025333 HH Annotated Mild NC(N)=NCCCOc1ccc(CNCC(c2ccccc2)c2ccccc2)cc1 ZINC000043064614 HH Annotated Mild NCc1ccc(Nc2nnc(Nc3ccc(C4=NCCN4)cc3)c3ccccc23)cc1 ZINC000043067618 HH Annotated Anodyne O=C(OCc1cccs1)c1cnn2c1n[n+]([O-])c1ccc(Oc3ccccc3)cc12 ZINC000043068004 HH Annotated Anodyne CCn1cc(-c2nc3ccccc3s2)c(=O)c2cc(F)c(N3CCNCC3)cc21 ZINC000043068173 HH Annotated Anodyne O=C(CN1C(=O)N/C(=C/c2ccc(Cl)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000043068514 HH Annotated Anodyne CCn1cc(-c2nc3ccccc3o2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000043068899 HH Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000043069524 HH Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000043069528 HH Annotated Anodyne Nc1cc(OCCCCCn2cc(/C=C3\N=C(S)NC3=O)c3ccccc32)ccn1 ZINC000043069782 HH Annotated Anodyne CCn1cc(-c2nc3ccccc3[nH]2)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c21 ZINC000043072359 HH Annotated Anodyne CCn1cc(-c2nc3ccccc3[nH]2)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 ZINC000043072363 HH Annotated Anodyne COC(=O)c1c(O)cccc1OCCn1ccc2ccc(-c3cc(C(=O)O)no3)cc21 ZINC000043075808 HH Annotated Anodyne CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@@H]1CC(=O)N1CCCCC1 ZINC000043076101 HH Annotated Anodyne CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@H]1CC(=O)N1CCCCC1 ZINC000043076104 HH Annotated Anodyne C[C@]1(CI)CO[C@@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 ZINC000043101025 HH Annotated Reactive C[C@@]1(CI)CO[C@@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 ZINC000043101029 HH Annotated Reactive C[C@]1(CI)CO[C@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 ZINC000043101033 HH Annotated Reactive C[C@@]1(CI)CO[C@]2(c3ccccc3)[C@@H](OO1)[C@H]1CC[C@@H]2C1 ZINC000043101037 HH Annotated Reactive N[C@@H](CNC(=O)c1cc2c(-c3ccccc3Cc3ccccc3)cccc2[nH]1)C(=O)O ZINC000043119267 HH Annotated Anodyne C#CCOc1ccc(CCNC(=O)[C@H](OCCF)c2ccc(Cl)cc2)cc1OC ZINC000043119429 HH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OCCF)c2ccc(Cl)cc2)cc1OC ZINC000043119433 HH Annotated Mild CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(F)cc2)n2c1Cc1ccccc1-2 ZINC000043120089 HH Annotated Anodyne C[N+]1(CCNC(=O)c2cnc3c4c(cccc24)-c2ccccc2C3=O)CCCCC1 ZINC000043121797 HH Annotated Bother Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2ccccc2)s1 ZINC000043123290 HH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2)s1 ZINC000043123292 HH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2ccccc2)s1 ZINC000043123294 HH Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2ccccc2)s1 ZINC000043123297 HH Annotated Reactive C#CCOc1ccc(CCNC(=O)[C@H](OCC=C)c2ccc(Cl)cc2)cc1OC ZINC000043123311 HH Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OCC=C)c2ccc(Cl)cc2)cc1OC ZINC000043123313 HH Annotated Mild O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccccn1 ZINC000043123449 HH Annotated Anodyne CN[C@@]1(C)CCN(c2c(-c3ccccc3)c(C)c(C#N)c3nc(C(=O)N(C)C)oc23)C1 ZINC000043152409 HH Annotated Anodyne in-vivo COc1cc2c(cn1)OC[C@]21C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21 ZINC000043195163 HH Annotated Anodyne COc1cc2c(cn1)OC[C@@]21C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21 ZINC000043195164 HH Annotated Anodyne Cc1c(CC(=O)O)c2ccc(F)cn2c1Sc1ccc(S(C)(=O)=O)cc1F ZINC000043196299 HH Annotated Anodyne CC(C)n1cc(-c2ccnc(NC[C@H](C)O)n2)c(-c2cnc3[nH]cc(Cl)c3c2)n1 ZINC000043202600 HH Annotated Anodyne O=C(O)c1cc(CN2CCc3ccccc3[C@H]2c2ccncc2)c2ccccn2c1=O ZINC000043208611 HH Annotated Anodyne O=C(O)c1cc(CN2CCc3ccccc3[C@@H]2c2ccncc2)c2ccccn2c1=O ZINC000043208612 HH Annotated Anodyne CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CCC(=O)OCC)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000043307833 HH Annotated Reactive CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)O)cc4)[C@]13OO2 ZINC000043328028 HH Annotated Reactive CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccc(C(=O)O)cc4)[C@@]13OO2 ZINC000043328029 HH Annotated Reactive CCCC[C@H]1C(=O)O[C@H]2O[C@@]3(CCC(=O)OCC)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000043328123 HH Annotated Reactive CCCC[C@H]1C(=O)O[C@H]2O[C@@]3(CCC(=O)OCC)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 ZINC000043328124 HH Annotated Reactive C/N=C(\S)SSC(=S)NC/N=C(\S)SS/C(S)=N/C ZINC000043356700 HH Annotated Reactive C=C(c1ccc(Cl)cc1)[C@@H]1COC2(CCC(OC(=O)CCC(=O)O)CC2)OO1 ZINC000043523530 HH Annotated Reactive C=C(c1ccc(Cl)cc1)[C@H]1COC2(CCC(OC(=O)CCC(=O)O)CC2)OO1 ZINC000043523533 HH Annotated Reactive C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000043524163 HH Annotated Reactive C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000043524166 HH Annotated Reactive CCCCCCCCSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)o1 ZINC000043552927 HH Annotated Mild COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C=CC3=O)C2=O ZINC000043587196 HH Annotated Mild CCOC(=O)C[C@@H]1CCCCC12OOC1(CCCC[C@@H]1CC(=O)OCC)OO2 ZINC000043706442 HH Annotated Reactive CC1=C(C)C(=O)C([C@H](CCCCCC(=O)NCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000043781442 HH Annotated Mild C[C@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000044052507 HH Annotated Reactive C[C@@]1(O)CC[C@H]2C[C@@H]1OO[C@@]2(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000044052510 HH Annotated Reactive C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO ZINC000044361345 HH Annotated Anodyne C[C@@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO ZINC000044361352 HH Annotated Anodyne C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO ZINC000044361358 HH Annotated Anodyne C[C@@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)C2=C3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CO ZINC000044361364 HH Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O ZINC000044459666 HH Annotated Anodyne O=C(NCc1ccccc1)[C@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O ZINC000044459667 HH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2ccco2)C1 ZINC000004546757 HH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2ccco2)C1 ZINC000004546763 HH Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2ccco2)C1 ZINC000004546767 HH Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)c2ccco2)C1 ZINC000004546772 HH Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000004546984 HH Annotated Mild COc1cc2c(/C(O)=N/CCc3ccc(Cl)cc3)cn(C)c(=O)c2cc1OC ZINC000004563304 HH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc(F)cc1F)[C@H]1CCCCN1C2=O ZINC000004563916 HH Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc(F)cc1F)[C@@H]1CCCCN1C2=O ZINC000004563918 HH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(F)cc1F)[C@H]1CCCCN1C2=O ZINC000004563919 HH Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(F)cc1F)[C@@H]1CCCCN1C2=O ZINC000004563920 HH Annotated Anodyne CCc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N3CCCC[C@H]23)cc1 ZINC000004563948 HH Annotated Anodyne CCc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCCC[C@H]23)cc1 ZINC000004563950 HH Annotated Anodyne CCc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCCC[C@@H]23)cc1 ZINC000004563954 HH Annotated Anodyne CCOc1ccc(CCNC(=O)c2oc3c(c2C)-c2n[nH]cc2CC3)cc1OCC ZINC000004586081 HH Annotated Anodyne Cc1cc(C)n(-c2cc(N/N=C/c3cc(Br)ccc3O)nc(C)n2)n1 ZINC000004595604 HH Annotated Mild COc1cc(CNCCCNc2nc3ccsc3c(=O)[nH]2)c2[nH]cc(Cl)c2c1 ZINC000004642686 HH Annotated Anodyne O=C1Nc2ccccc2[C@](O)(C(=O)N2CCCC2)N1c1ccc(Cl)c(Cl)c1 ZINC000004672642 HH Annotated Anodyne O=C1Nc2ccccc2[C@@](O)(C(=O)N2CCCC2)N1c1ccc(Cl)c(Cl)c1 ZINC000004672644 HH Annotated Anodyne CCCS(=O)(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2F)C2CCCCC2)C1 ZINC000004712501 HH Annotated Anodyne CCCS(=O)(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2F)C2CCCCC2)C1 ZINC000004712502 HH Annotated Anodyne CN(/C=C/C(=C\C=[N+](\C)c1ccccc1)OCCCS(=O)(=O)O)c1ccccc1 ZINC000004713940 HH Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CC[C@@H]3[C@@H](Cl)C(=O)CC[C@]3(C)[C@H]21 ZINC000004744082 HH Annotated Reactive CC[C@@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000004759969 HH Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000004759974 HH Annotated Anodyne CC[C@@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000004759978 HH Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000004759980 HH Annotated Anodyne O=C(CS(=O)(=O)c1nc(-c2ccccc2)cn1-c1ccccc1)Nc1ccccc1 ZINC000004765416 HH Annotated Anodyne N#CC1=C2CCCN2[P@@](=S)(SCc2ccccc2)N=C1N1CCOCC1 ZINC000004776471 HH Annotated Reactive N#CC1=C2CCCN2[P@](=S)(SCc2ccccc2)N=C1N1CCOCC1 ZINC000004776473 HH Annotated Reactive CCOC(=O)[C@@H]1C(C)=NC(SCc2cc(O)n[nH]2)=C(C#N)[C@H]1c1cccs1 ZINC000004817807 HH Annotated Reactive Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccccc4F)no3)CC2)c1 ZINC000004821662 HH Annotated Anodyne Cc1c(C(=O)NCc2ccco2)oc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc12 ZINC000004826798 HH Annotated Anodyne Cc1c(C(=O)NCc2ccco2)oc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc12 ZINC000004826805 HH Annotated Anodyne Cc1c(C(=O)N2CCCC2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12 ZINC000004826855 HH Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C\c2ccsc2)C3=O)C(=O)O1 ZINC000004837704 HH Annotated Mild CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C\c2ccc(F)cc2)C3=O)C(=O)O1 ZINC000004837705 HH Annotated Mild CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2 ZINC000004845889 HH Annotated Clean CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2 ZINC000004845890 HH Annotated Clean CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2 ZINC000004845891 HH Annotated Clean CC1CCN([C@@H](c2ccc(N(C)C)cc2)c2nnnn2Cc2ccc(F)cc2)CC1 ZINC000004847689 HH Annotated Clean CC1CCN([C@H](c2ccc(N(C)C)cc2)c2nnnn2Cc2ccc(F)cc2)CC1 ZINC000004847690 HH Annotated Clean C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000004863327 HH Annotated Reactive CC[C@@H](C)/N=C(\O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12 ZINC000004872487 HH Annotated Mild CC[C@H](C)/N=C(\O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12 ZINC000004872494 HH Annotated Mild CCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3Cl)c(C)n2n1 ZINC000004875454 HH Annotated Anodyne O=C(Nc1c(F)cccc1F)[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000004880152 HH Annotated Anodyne O=C(Nc1c(F)cccc1F)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000004880159 HH Annotated Anodyne CCOc1ccc(/N=C(\O)c2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cc2)cc1 ZINC000004884229 HH Annotated Mild CC(=O)c1ccc(/N=C(\O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1 ZINC000004884852 HH Annotated Mild C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)NCc3ccccn3)c1)c1ccccc1O2 ZINC000004904147 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(C)cc1Cl ZINC000004909086 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccc(C)cc1Cl ZINC000004909091 HH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 ZINC000004909627 HH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 ZINC000004909634 HH Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 ZINC000004909639 HH Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 ZINC000004909645 HH Annotated Anodyne C[C@@]12C[C@@H](N=C(O)N1c1ccc(C(=O)NCc3ccccn3)cc1)c1ccccc1O2 ZINC000004919159 HH Annotated Anodyne COc1ccc(OC)c(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)c1 ZINC000004920082 HH Annotated Anodyne O=C(c1cc2c(=O)[nH]c3ccccc3c2s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000004920231 HH Annotated Anodyne Oc1c(Br)cc(/C=N/Nc2ccc(Cl)nn2)cc1Br ZINC000004925586 HH Annotated Mild CCN(CCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C)Cc1ccccc1 ZINC000004930664 HH Annotated Anodyne CCOCCCNC(=O)/C=C1\Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000004931668 HH Annotated Anodyne CCOP(=O)(Nc1ccc2c(c1)/C(=N\NC(N)=S)c1ccccc1-2)OCC ZINC000004946030 HH Annotated Mild Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCN(C)Cc4ccccc4)sc3c2c1 ZINC000004950902 HH Annotated Anodyne CC[C@@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NCc1ccc(F)cc1)c1ccco1 ZINC000004965216 HH Annotated Anodyne CC[C@H](C)N(C(=O)c1csnn1)[C@H](C(=O)NCc1ccc(F)cc1)c1ccco1 ZINC000004965217 HH Annotated Anodyne CC[C@@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccco1 ZINC000004965218 HH Annotated Anodyne CC[C@H](C)N(C(=O)c1csnn1)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccco1 ZINC000004965219 HH Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)[C@H]1CSC(=O)C1)c1ccccc1 ZINC000004967359 HH Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)[C@H]1CSC(=O)C1)c1ccccc1 ZINC000004967360 HH Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1 ZINC000004967362 HH Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1 ZINC000004967364 HH Annotated Anodyne CCCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC ZINC000004969171 HH Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)CC1 ZINC000004972073 HH Annotated Anodyne Cc1cc(NCCC(=O)NCCOc2ccccc2)nc(NCc2ccccc2C)n1 ZINC000045167141 HH Annotated Anodyne N#Cc1c(F)cc(N2CCC(NCC[C@H](N)Cc3ccc(F)c(F)c3)CC2)cc1F ZINC000045168541 HH Annotated Mild COc1ccccc1CCNc1nc(C)cc(NCCC(=O)Nc2ccccc2)n1 ZINC000045168734 HH Annotated Anodyne COCn1ncc2cc(-c3cccc(NC(=O)c4csc(NC(C)=O)n4)c3)ccc21 ZINC000045186676 HH Annotated Anodyne CCc1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000045186760 HH Annotated Anodyne Cn1cc(CCNc2ccnc(N3CCC(c4ncc[nH]4)CC3)n2)c2ccccc21 ZINC000045187744 HH Annotated Anodyne CN(C)c1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000045188784 HH Annotated Clean CN(C)c1ccc([C@H]2c3[nH]cnc3CCN2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000045188787 HH Annotated Clean O=[N+]([O-])c1cccc(NC(=S)N2CCCN(Cc3ccc(F)cc3F)CC2)c1 ZINC000045190331 HH Annotated Bother O=C(Nc1ccnc(N2C[C@H]3C[C@@H]2CN3Cc2cccc(O)c2)c1)c1ccc(F)cc1 ZINC000045190931 HH Annotated Anodyne Cc1cnc(C(=O)Nc2ccc3c(c2)CCCN(Cc2c[nH]c4cnccc24)C3)cn1 ZINC000045192164 HH Annotated Anodyne C[C@H]1CN(c2ncc(-c3ccc(CNC4Cc5ccccc5C4)cc3)cn2)C[C@@H](C)N1 ZINC000045193304 HH Annotated Anodyne C[C@H]1CN(c2ncc(-c3ccc(CNC4Cc5ccccc5C4)cc3)cn2)C[C@H](C)N1 ZINC000045193307 HH Annotated Anodyne C[C@@H]1CN(c2ncc(-c3ccc(CNC4Cc5ccccc5C4)cc3)cn2)C[C@@H](C)N1 ZINC000045193310 HH Annotated Anodyne CN(/N=C/c1ccccc1)C(=N)NCCCC#Cc1cccc(CN2CCCC2)c1 ZINC000045210662 HH Annotated Mild Cc1cc(NCCC(=O)NCCc2ccccc2)nc(NCCc2ccc(F)cc2)n1 ZINC000045210667 HH Annotated Anodyne c1cc(CNCCN2CCNCC2)cc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000045211211 HH Annotated Anodyne COCCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccc(N(C)C)cc1 ZINC000045226957 HH Annotated Mild Cc1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000045228077 HH Annotated Anodyne CCOC(=O)CCCc1cc(NC2CCN(C)CC2)nc(Nc2ccc(C)cc2)n1 ZINC000045231021 HH Annotated Anodyne CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 ZINC000045245027 HH Annotated Anodyne CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 ZINC000045245028 HH Annotated Anodyne COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1 ZINC000045245092 HH Annotated Anodyne Cc1c(N[C@@H]2CCCNC2)c(C#N)c2ccnn2c1NCc1nc2ccccc2s1 ZINC000045245157 HH Annotated Mild N=C1ON=C(N)[C@H]1[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000045245253 HH Annotated Anodyne N=C1ON=C(N)[C@H]1[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000045245254 HH Annotated Anodyne COc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)csc2=O)cc1[N+](=O)[O-] ZINC000045245342 HH Annotated Bother Cc1ccc(NC(=O)c2c(N3C(=O)c4ccccc4C3=O)c(C#N)c3n2CCC3)cc1 ZINC000045245402 HH Annotated Mild COC(=O)c1c(C(=O)OC)c2cccc(C)n2c1C(=O)c1ccc2c(c1)CCCC2 ZINC000045245854 HH Annotated Anodyne COc1cc(OC[C@@H]2COC(=O)O2)cc2c1c(=O)c1cc3ccccc3cc1n2C ZINC000045245965 HH Annotated Bother COc1cc(OC[C@H]2COC(=O)O2)cc2c1c(=O)c1cc3ccccc3cc1n2C ZINC000045245966 HH Annotated Bother Cc1ccc(C(=O)C[C@H](C(=O)c2ccc(C)cc2)C2C(=N)N(C)C(=O)N(C)C2=N)cc1 ZINC000045246072 HH Annotated Anodyne COc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)s2)cc1F ZINC000045246084 HH Annotated Bother Nc1ccc(S(=O)(=O)N2c3cc(F)c(F)cc3-c3n[nH]cc3[C@@H]2C2CC2)cc1 ZINC000045254278 HH Annotated Anodyne Nc1ccc(S(=O)(=O)N2c3cc(F)c(F)cc3-c3n[nH]cc3[C@H]2C2CC2)cc1 ZINC000045254279 HH Annotated Anodyne CC(=O)c1ccc2c(n1)c(S(=O)(=O)c1cccc3ccccc13)cn2CCN(C)C ZINC000045254435 HH Annotated Anodyne O[C@](CNCc1ccc2[nH]ccc2c1)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000045254926 HH Annotated Anodyne O[C@@](CNCc1ccc2[nH]ccc2c1)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000045254928 HH Annotated Anodyne COc1cc([C@@H]2OC(c3nc(C(C)C)cs3)=NN2C(C)=O)cc(OC)c1OC ZINC000045255535 HH Annotated Anodyne COc1cc([C@H]2OC(c3nc(C(C)C)cs3)=NN2C(C)=O)cc(OC)c1OC ZINC000045255538 HH Annotated Anodyne CCC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045255576 HH Annotated Anodyne CCC[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045255580 HH Annotated Anodyne CCC[C@@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 ZINC000045255780 HH Annotated Anodyne CCC[C@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 ZINC000045255784 HH Annotated Anodyne COc1ccc(C(=N)NC(C)C)cc1-c1cn(-c2cccc(C(=N)NC(C)C)c2)nn1 ZINC000045256228 HH Annotated Anodyne COc1ccc(C(=N)NC(C)C)cc1-n1cc(-c2ccc(C(=N)NC(C)C)cc2)nn1 ZINC000045256231 HH Annotated Anodyne Cc1nocc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(OC(F)(F)F)cc1 ZINC000045256466 HH Annotated Anodyne Cc1nocc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(OC(F)(F)F)cc1 ZINC000045256470 HH Annotated Anodyne O=C1OC2(CCC(C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cccnc21 ZINC000045256497 HH Annotated Anodyne COC1=C[C@@H]2CC[C@@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@H]2C=C1 ZINC000045256530 HH Annotated Bother COC1=C[C@@H]2CC[C@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@H]2C=C1 ZINC000045256533 HH Annotated Bother COC1=C[C@H]2CC[C@@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@H]2C=C1 ZINC000045256537 HH Annotated Bother COC1=C[C@H]2CC[C@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@H]2C=C1 ZINC000045256540 HH Annotated Bother CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C[S@](C)=O)CC3=O ZINC000045256696 HH Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C[S@](C)=O)CC3=O ZINC000045256700 HH Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C[S@@](C)=O)CC3=O ZINC000045256704 HH Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C[S@@](C)=O)CC3=O ZINC000045256708 HH Annotated Anodyne COc1ccc2c(OCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1 ZINC000045257040 HH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cc(F)c(F)c(F)c3)cc1)C2 ZINC000045258252 HH Annotated Bother COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(F)c5)nn34)ccnc2c1 ZINC000045259430 HH Annotated Anodyne Cc1ccc(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CCC(=O)N1CCOCC1 ZINC000045259965 HH Annotated Anodyne Cc1ccc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CCC(=O)N1CCOCC1 ZINC000045259968 HH Annotated Anodyne O=[N+]([O-])c1ccc(-n2ncc3c(O)nc(-c4ccc(Cl)cc4)nc32)c([N+](=O)[O-])c1 ZINC000045260743 HH Annotated Bother COc1cc(C(=N)NC(C)C)ccc1-n1cc(-c2cccc(C(=N)NC(C)C)c2)nn1 ZINC000045260840 HH Annotated Anodyne COC(=O)c1c(C(=O)OC)c2cc(C)ccn2c1C(=O)c1ccc2c(c1)CCCC2 ZINC000045283460 HH Annotated Anodyne CCN[C@@H]1NN=C(Cc2csc3nc(-c4ccc(Br)cc4)cn23)S1 ZINC000045283538 HH Annotated Anodyne CCN[C@H]1NN=C(Cc2csc3nc(-c4ccc(Br)cc4)cn23)S1 ZINC000045283540 HH Annotated Anodyne COc1ccc(C(=N)NC(C)C)cc1-n1cc(-c2cccc(C(=N)NC(C)C)c2)nn1 ZINC000045283623 HH Annotated Anodyne CCCCS(=O)(=O)N1[C@@H]2CC[C@@H](C(=O)Nc3ccc(OC(C)C)cc3)[C@H]1CC2 ZINC000045283759 HH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)c(O)c3)cc1)C2 ZINC000045283996 HH Annotated Bother COc1ccc(-c2csc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000045284059 HH Annotated Bother COc1ccc(C(=N)NC(C)C)cc1-c1cn(-c2ccc(C(=N)NC(C)C)cc2)nn1 ZINC000045285955 HH Annotated Anodyne COc1cc(C(=N)NC(C)C)ccc1-c1cn(-c2cccc(C(=N)NC(C)C)c2)nn1 ZINC000045285974 HH Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)N1CCN(CCc2cccc(C)c2)[C@@H](C(C)C)C1 ZINC000045286324 HH Annotated Anodyne CN[C@@H]1NN=C(Cc2csc3nc(-c4ccc(Br)cc4)cn23)S1 ZINC000045286438 HH Annotated Anodyne CN[C@H]1NN=C(Cc2csc3nc(-c4ccc(Br)cc4)cn23)S1 ZINC000045286440 HH Annotated Anodyne COc1cc(OC)c([C@@H]2CC(=O)n3c2c(/C=C/C(=O)O)c2ccccc23)cc1OC ZINC000045286753 HH Annotated Anodyne COc1cc(OC)c([C@H]2CC(=O)n3c2c(/C=C/C(=O)O)c2ccccc23)cc1OC ZINC000045286755 HH Annotated Anodyne COc1c(F)cc(F)cc1-c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 ZINC000045286870 HH Annotated Bother NC(=O)CCC(=O)Nc1cccc2c1C(=O)C(=O)c1c(-c3ccc(Cl)cc3)coc1-2 ZINC000045287583 HH Annotated Clean CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(O)cc1 ZINC000045289683 HH Annotated Anodyne COc1ccc(-c2c(Cl)sc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000045298549 HH Annotated Anodyne C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1 ZINC000045299204 HH Annotated Mild C[C@H]1/C(=N/N=C2\NC(=O)CS2)C[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000045299207 HH Annotated Mild C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000045299210 HH Annotated Mild COCCN/C(CCCCCCCCCCCC/C(=N/O)NCCOC)=N\O ZINC000045299789 HH Annotated Mild C=CCc1cccc(/C=N/NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000045299921 HH Annotated Reactive CCc1nn(CCO)c(NC(=O)c2cccnc2)c1Cc1cc(Cl)cc(Cl)c1 ZINC000045300897 HH Annotated Anodyne Cc1cc(C)cc(Sc2c(CN)c(C)[nH]c(=O)c2I)c1 ZINC000045302437 HH Annotated Anodyne O=C1N(Cc2cc3ccccc3s2)C[C@@H]2CN(Cc3cccc4c3OCO4)CCN12 ZINC000045302440 HH Annotated Anodyne O=C1N(Cc2cc3ccccc3s2)C[C@H]2CN(Cc3cccc4c3OCO4)CCN12 ZINC000045302441 HH Annotated Anodyne COc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)c(Cl)sc2=O)cc1N ZINC000045302676 HH Annotated Anodyne COC(=O)c1ccc2c(c1)nc(Nc1cccc(F)c1)n2C[C@H](O)c1ccccn1 ZINC000045302852 HH Annotated Anodyne COC(=O)c1ccc2c(c1)nc(Nc1cccc(F)c1)n2C[C@@H](O)c1ccccn1 ZINC000045302853 HH Annotated Anodyne COC(=O)c1ccc2c3c(c(C[C@H](C)OCc4ccccc4)cc2c1)C(=O)NC3=O ZINC000045303324 HH Annotated Anodyne COC(=O)c1ccc2c3c(c(C[C@@H](C)OCc4ccccc4)cc2c1)C(=O)NC3=O ZINC000045303325 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)cn1)N1c2ccc(F)cc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045315828 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)cn1)N1c2ccc(F)cc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045315832 HH Annotated Anodyne COc1c(F)cc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1F ZINC000045316221 HH Annotated Bother CCCCNCCN1CCN(c2cc(OC)cc(OC)c2)C[C@@H]1Cc1ccccc1 ZINC000045320046 HH Annotated Anodyne CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCc2cccc(C)c2)[C@@H](C(C)C)C1 ZINC000045320536 HH Annotated Anodyne COc1cc(C(=N)NC(C)C)ccc1-n1cc(-c2ccc(C(=N)NC(C)C)cc2)nn1 ZINC000045321591 HH Annotated Anodyne CN1CCN(c2ccnc3ccc(NC(=O)Nc4ccc5c(c4)CCC5=O)cc23)CC1 ZINC000045322673 HH Annotated Anodyne C[C@@H](CCc1ccccc1)NC[C@H](O)c1ccc2c3c(cccc13)S(=O)(=O)N2C ZINC000045323967 HH Annotated Anodyne C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc2c3c(cccc13)S(=O)(=O)N2C ZINC000045323970 HH Annotated Anodyne C[C@@H](CCc1ccccc1)NC[C@@H](O)c1ccc2c3c(cccc13)S(=O)(=O)N2C ZINC000045323972 HH Annotated Anodyne C[C@H](CCc1ccccc1)NC[C@@H](O)c1ccc2c3c(cccc13)S(=O)(=O)N2C ZINC000045323975 HH Annotated Anodyne Cc1ccc(F)cc1CN(c1ccc(C#N)c(Cl)c1)[C@H]1CCN(C(=O)[C@H](C)O)C1 ZINC000045324069 HH Annotated Mild CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)c3cscn3)cc2)nc1 ZINC000045324146 HH Annotated Anodyne O=C1OC2(CCC(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 ZINC000045324371 HH Annotated Anodyne CCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000045325153 HH Annotated Mild CSCC[C@H](N)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000045334388 HH Annotated Anodyne CSCC[C@H](N)C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000045334390 HH Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)C[C@H](O)[C@@]32F)C1 ZINC000045334605 HH Annotated Anodyne C=CC/N=C1\SCCCCN1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C(C)C)C=C[C@]2(C)CC1 ZINC000045334842 HH Annotated Mild C=CC/N=C1\SCCCCN1N1C(=O)[C@H]2[C@H](C1=O)[C@]1(C(C)C)C=C[C@@]2(C)CC1 ZINC000045334844 HH Annotated Mild CCOC(=O)c1cccc(N/C(N)=N\c2nc(C)cc(NCCc3ccccc3)n2)c1 ZINC000045335095 HH Annotated Mild Cc1ccc(OCCn2c(/C=C3/C(=O)NC(=O)N=C3O)cc3ccccc32)cc1C ZINC000045335541 HH Annotated Clean Cc1ccc(S(=O)(=O)N2CCc3ccccc3OC[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000045335632 HH Annotated Anodyne COc1cc(C(=N)NC(C)C)ccc1-c1cn(-c2ccc(C(=N)NC(C)C)cc2)nn1 ZINC000045335720 HH Annotated Anodyne CCN(CC)C[C@H](O)Cc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12 ZINC000045337311 HH Annotated Bother CCN(CC)C[C@@H](O)Cc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12 ZINC000045337313 HH Annotated Bother CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O ZINC000045337778 HH Annotated Anodyne O=C(O)c1cccc(OC(=O)[C@H]2Cc3ccccc3N(Cc3ccccc3)C2=O)c1 ZINC000045338133 HH Annotated Anodyne O=C(O)c1cccc(OC(=O)[C@@H]2Cc3ccccc3N(Cc3ccccc3)C2=O)c1 ZINC000045338135 HH Annotated Anodyne O=C(O)c1cn(Cc2ccc(-c3ccc(Cl)nc3)nc2)c2c(F)cccc2c1=O ZINC000045339362 HH Annotated Anodyne N#Cc1c(F)c(Cl)c(C(C(=O)c2ccc(F)cc2)=C2NCCCN2)c(C#N)c1F ZINC000045339484 HH Annotated Mild Cc1ccc([C@@H]2C/C(=N\N3C(=O)CNC3=S)[C@H](C)[C@H](c3ccc(C)cc3)N2)cc1 ZINC000045339676 HH Annotated Mild Cc1ccc([C@H]2C/C(=N\N3C(=O)CNC3=S)[C@H](C)[C@H](c3ccc(C)cc3)N2)cc1 ZINC000045339678 HH Annotated Mild Cc1ccc([C@@H]2C/C(=N\N3C(=O)CNC3=S)[C@@H](C)[C@H](c3ccc(C)cc3)N2)cc1 ZINC000045339679 HH Annotated Mild Cc1ccc([C@H]2C/C(=N\N3C(=O)CNC3=S)[C@@H](C)[C@H](c3ccc(C)cc3)N2)cc1 ZINC000045339681 HH Annotated Mild Cn1c(=O)oc2cc3c(cc21)[C@@H](c1cccc(OC(=O)c2ccccc2)c1)NCC3 ZINC000045340017 HH Annotated Anodyne Cn1c(=O)oc2cc3c(cc21)[C@H](c1cccc(OC(=O)c2ccccc2)c1)NCC3 ZINC000045340019 HH Annotated Anodyne COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(-c2ccc(C)cc2)oc1C ZINC000045352120 HH Annotated Anodyne N#Cc1c(F)c(Cl)c(C(C(=O)c2ccc(Cl)cc2)=C2NCCN2)c(C#N)c1F ZINC000045352198 HH Annotated Mild CN1C(N)=NC(=O)/C1=C/c1cn(Cc2ccccc2Br)c2ccccc12 ZINC000045352313 HH Annotated Anodyne O=C(O)c1cn(Cc2ccc(-c3ccnc(Cl)c3)cn2)c2c(F)cccc2c1=O ZINC000045352674 HH Annotated Anodyne CNc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cc2)cn1 ZINC000045352912 HH Annotated Anodyne O=C1OC2(CCC(C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 ZINC000045353109 HH Annotated Anodyne O=C(O)c1cn(Cc2ccc(-c3ccc4[nH]ccc4c3)nn2)c2c(F)cccc2c1=O ZINC000045353270 HH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(/C=N/Nc2ncnc3sc(C(C)(C)C)cc23)cc1 ZINC000045353291 HH Annotated Mild CN(C)[C@@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 ZINC000045355968 HH Annotated Anodyne COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1Cn1ccnc1)OCO2 ZINC000045356007 HH Annotated Anodyne CCCCCC[C@@]1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O ZINC000045356163 HH Annotated Anodyne CCCCCC[C@]1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O ZINC000045356169 HH Annotated Anodyne COC(=O)c1ccc(OC[C@@H]2C=C(c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000045356577 HH Annotated Anodyne COC(=O)c1ccc(OC[C@H]2C=C(c3ccc(Br)cc3)C(=O)O2)cc1 ZINC000045356580 HH Annotated Anodyne CN(C)[C@H]1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)C1 ZINC000045357290 HH Annotated Anodyne CC(C)Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000045357936 HH Annotated Anodyne CCc1ccc2c(c1)sc1[nH]c(-c3ccc(OCC(=O)O)c(OC)c3)nc(=O)c12 ZINC000045358859 HH Annotated Anodyne O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)CCc4ccccc4)c3)c2[nH]1 ZINC000045364107 HH Annotated Anodyne CN(C)c1cccc(S(=O)(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)c1 ZINC000045364111 HH Annotated Anodyne c1cc(-c2ccc(-c3nc4ccc(C5=NCCN5)cc4s3)o2)ccc1C1=NCCN1 ZINC000045364417 HH Annotated Anodyne Nc1nn(-c2cccc(-c3ccc4nc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O ZINC000045365000 HH Annotated Anodyne CN1CCN(C(=O)c2ccc3c(c2)Oc2ccc(F)cc2[C@]3(O)c2ccccc2)CC1 ZINC000045367587 HH Annotated Anodyne CN1CCN(C(=O)c2ccc3c(c2)Oc2ccc(F)cc2[C@@]3(O)c2ccccc2)CC1 ZINC000045367590 HH Annotated Anodyne CC(C)COc1nc(-c2ccccc2)n(S(=O)(=O)c2cccc3cccnc23)n1 ZINC000045367654 HH Annotated Anodyne NC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000045367840 HH Annotated Anodyne O=C(O)c1cn(Cc2ccc(-n3nnc4ccccc43)cc2)c2cccc(F)c2c1=O ZINC000045368697 HH Annotated Anodyne CCOP(=O)(OCC)C(F)(F)CCCCCc1c[nH]c2c(=O)nc(N)[nH]c12 ZINC000045369504 HH Annotated Anodyne CO[C@H]1OC(=O)C[C@@]12CC[C@@]1(O2)[C@H](C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C ZINC000045370828 HH Annotated Anodyne Cc1ccc(S(=O)(=O)c2n[nH]c3ccc(N4CCC(N)CC4)cc23)c2ccccc12 ZINC000045371420 HH Annotated Anodyne CC(C)(O)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O ZINC000045371916 HH Annotated Anodyne N#Cc1c(F)c(F)c(C(C(=O)c2ccc(F)cc2)=C2NCCCCN2)c(C#N)c1F ZINC000045374024 HH Annotated Mild COC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)Nc2ccccc2-c2ccnc3[nH]cc1c23 ZINC000045374078 HH Annotated Bother COC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)Nc2ccccc2-c2ccnc3[nH]cc1c23 ZINC000045374082 HH Annotated Bother O=C(Nc1ccccc1-n1cccn1)c1cccc2c1S(=O)(=O)c1ccccc1-2 ZINC000045374848 HH Annotated Anodyne c1cc(C2=NCCN2)ccc1Oc1ccc(-c2cc3ccc(C4=NCCN4)cc3[nH]2)nc1 ZINC000045375203 HH Annotated Anodyne O=C(/C=C/N1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(O)cc1O ZINC000045387250 HH Annotated Mild COc1ccc(-n2c(C)nnc2N2CCC(Oc3cc(F)cc(F)c3C)CC2)cn1 ZINC000045388877 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000045389287 HH Annotated Anodyne COc1cc(OC)cc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)c1 ZINC000045392634 HH Annotated Anodyne c1ccc(Nc2nc(NCCc3ccncn3)ncc2-c2nnc(C3CC3)o2)cc1 ZINC000045484252 HH Annotated Anodyne Cc1cc(Br)ccc1NC(=S)OCCN1C(=O)c2ccccc2C1=O ZINC000045484369 HH Annotated Anodyne COC(=O)c1ccc(Sc2nc(N)c(C#N)c(-c3cccc(O)c3)c2C#N)cc1 ZINC000045495119 HH Annotated Mild Nc1nc(N)c2c(n1)N(c1cccc(Cl)c1)c1cc(Cl)ccc1S2(=O)=O ZINC000045495693 HH Annotated Anodyne Nc1nc(N)c2c(n1)N(c1ccc(Cl)cc1)c1cc(Cl)ccc1S2(=O)=O ZINC000045495695 HH Annotated Anodyne Oc1cccc(Nc2nc(NCCc3ccncc3)ncc2-c2nnc(C3CC3)o2)c1 ZINC000045496421 HH Annotated Anodyne Cc1ccc(NC(=S)N/N=C2\C(=O)N(C)c3ccc(OC(F)(F)F)cc32)cc1 ZINC000045498657 HH Annotated Mild C[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1 ZINC000045506492 HH Annotated Anodyne CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2ccccc2Cl)c1 ZINC000045506564 HH Annotated Anodyne CC(=O)Nc1cccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2ccccc2Cl)c1 ZINC000045506566 HH Annotated Anodyne CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2ccccc2Cl)cc1 ZINC000045506569 HH Annotated Anodyne CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2ccccc2Cl)cc1 ZINC000045506572 HH Annotated Anodyne Cc1nc(C)c(CN2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)nc1C ZINC000045506699 HH Annotated Anodyne COc1ccc(Cl)cc1NC(=O)CN(C)Cc1nc(-c2ccc(C)c(F)c2)no1 ZINC000045774046 HH Annotated Anodyne O=[N+]([O-])c1ccccc1/C=C/C(O)=N/S(=O)(=O)c1ccc(Br)cc1 ZINC000046709055 HH Annotated Mild COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2n(C)c2ccccc12 ZINC000469740567 HH Annotated Bother COc1nc2c(cc1S(=O)(=O)c1ccccc1)CCc1c-2cnn1-c1ccccc1 ZINC000473082637 HH Annotated Anodyne CC(C)=CCN1C(=O)N(Cc2cccc(Br)c2)S(=O)(=O)n2cccc21 ZINC000473082871 HH Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1)nc1s/c(=C\c3ccccc3F)c(=O)n12 ZINC000473083489 HH Annotated Anodyne O=C(O)CN(Cc1ccc(C(=O)O)c(C(=O)O)c1)c1ccc(-c2ccccc2)cc1 ZINC000473083641 HH Annotated Anodyne C[C@@H]1CN(c2cc(F)cc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 ZINC000473084106 HH Annotated Mild O=C(Nc1ccc(F)cc1Cl)c1ccn(C(=S)Nc2ccc3c(c2)OCO3)n1 ZINC000473084229 HH Annotated Anodyne C[C@@H]1CN(c2cc(F)ccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 ZINC000473084236 HH Annotated Mild Cc1cc2c(c3oc(=O)c(C(C)(C)O)cc13)C(=O)c1c(OC(C)C)cccc1C2=O ZINC000473085973 HH Annotated Clean O=c1cc(N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)ccn1Cc1ccccc1 ZINC000473086108 HH Annotated Anodyne CN=c1cc(-c2ccc(N3CCN(C)CC3)cc2)c(-c2cc(F)c(O)c(F)c2)c[nH]1 ZINC000473087664 HH Annotated Anodyne CN=c1nc(N2CCC(N)CC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 ZINC000473088028 HH Annotated Anodyne O=C(OCC[C@H]1CCn2cc([N+](=O)[O-])nc2O1)OCc1ccc(C(F)(F)F)cc1 ZINC000473091512 HH Annotated Bother CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccc(C(F)(F)F)cn1)C1CC1 ZINC000473093409 HH Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc(C(F)(F)F)cn1)C1CC1 ZINC000473093417 HH Annotated Anodyne O=c1cc(N2CCc3[nH]nc(-c4ccncc4)c3C2)ccn1Cc1cccc(Cl)c1 ZINC000473094056 HH Annotated Anodyne CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cccc4cccnc34)CC2)C1=O ZINC000473097172 HH Annotated Anodyne COC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 ZINC000473097935 HH Annotated Anodyne COc1cc(OC)cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC)c(OC)c2)c1 ZINC000473097968 HH Annotated Anodyne COc1cc(CCNCc2cccc(OC)c2OC)c(OC)cc1Br ZINC000473098363 HH Annotated Anodyne COc1cccc(C2(NCc3ccc(O)c(CN4CCN(C)CC4)c3)CCCC2)c1 ZINC000473099728 HH Annotated Clean C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(C(F)F)c3)ncc2Cl)c1 ZINC000473107346 HH Annotated Anodyne CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cccc(Cl)c3O)CC2)C1=O ZINC000473108243 HH Annotated Clean COc1cc(CCNCc2c(OC)cccc2OC)c(OC)cc1Br ZINC000473108266 HH Annotated Anodyne CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3ccc(Cl)cc3O)CC2)C1=O ZINC000473108540 HH Annotated Clean CCN1C(=O)N(c2ccccc2)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O ZINC000473109184 HH Annotated Clean CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(O)cc(Cl)c3)CC2)C1=O ZINC000473109564 HH Annotated Anodyne CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3ccc(O)c(Cl)c3)CC2)C1=O ZINC000473109920 HH Annotated Anodyne CCN1C(=O)N(C2CCCC2)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O ZINC000473110127 HH Annotated Clean CC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\NC(N)=S)C[C@H]21 ZINC000473111246 HH Annotated Mild CN(C)c1ccc(C(=O)NCCCN=c2c3c([nH]c4ccccc24)CCCC3)cc1 ZINC000473111496 HH Annotated Anodyne COC(=O)c1c(C)nc(=NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)[nH]c1C ZINC000473115925 HH Annotated Anodyne COC(=O)c1c(C)nc(=NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)[nH]c1C ZINC000473115926 HH Annotated Anodyne C[C@H]1C[C@H]([C@H]2OC2(C)C)O[C@@]12CC[C@]1(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]21 ZINC000473117710 HH Annotated Reactive C[C@H]1C[C@H]([C@@H]2OC2(C)C)O[C@@]12CC[C@]1(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]21 ZINC000473117729 HH Annotated Reactive C=C1C(=O)[C@]2(C)C(=O)O[C@@]34C[C@H](C)C(C(=O)O)=C[C@@H]3CCC[C@@H](C)C[C@@H](C)[C@H]1O[C@H]42 ZINC000473118612 HH Annotated Mild O=C(Nc1cc(Cl)c(O)cc1O)C1(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000473121713 HH Annotated Bother CC1(C)C(=O)CC[C@]2(C)[C@@H]3Cc4c(cc(O)c5c4C[C@@H](O)CC5=O)O[C@@]3(C)CC[C@@H]12 ZINC000473124839 HH Annotated Anodyne O=C(NC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1ccc(O)c(O)c1 ZINC000473124974 HH Annotated Reactive Cc1cc(-c2ccc(N(C)CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 ZINC000473126171 HH Annotated Anodyne O=C(NC1CCC2(CC1)OCC1(O2)C2CC3CC(C2)CC1C3)c1ccc(O)c(O)c1 ZINC000473126189 HH Annotated Clean CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@@H](CC(=O)[C@@H](C)[C@H](C)O)C2=CO1 ZINC000473126195 HH Annotated Mild CC(C)=C[C@H](C)C[C@H](C)/C=C/C(=O)NC1=C[C@](O)(CCCCC(=O)O)C=CC1=O ZINC000473126416 HH Annotated Mild C=CCOc1cc(/C=C2\COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC ZINC000473126417 HH Annotated Mild C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@@](C)(CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)CCC[C@]23C)C1 ZINC000473128625 HH Annotated Mild CC1(C)C(=O)C=C[C@]2(C)[C@@H]3Cc4c(cc(O)c5c4C[C@@H](O)CC5=O)O[C@@]3(C)CC[C@@H]12 ZINC000473130765 HH Annotated Mild Nc1ccc(-c2nnc(Cn3nc(-c4ccccc4)c(-c4ccccc4)nc3=O)o2)cc1 ZINC000473131280 HH Annotated Anodyne O=c1c2c[nH]nc2c2cnc(-c3ccccc3CNC3CC3)cc2n1CC(F)(F)F ZINC000473132378 HH Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)NCCCN1c2ccccc2CCc2ccccc21 ZINC000473134459 HH Annotated Anodyne CSc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 ZINC000473135962 HH Annotated Anodyne CSc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 ZINC000473135963 HH Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@H](c1cccc(Br)c1)[C@@H]([N+](=O)[O-])CO2 ZINC000473136283 HH Annotated Mild CCc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 ZINC000473136723 HH Annotated Anodyne CCc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1 ZINC000473136724 HH Annotated Anodyne CCc1cccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)c1 ZINC000473137200 HH Annotated Anodyne CCc1cccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)c1 ZINC000473137201 HH Annotated Anodyne COc1ccc2c(c1OC)CO/C(=C\c1cc[n+](Cc3cccc(F)c3)cc1)C2=O ZINC000473145920 HH Annotated Mild COc1ccc2c(c1OC)CO/C(=C\c1cc[n+](Cc3ccccc3F)cc1)C2=O ZINC000473147446 HH Annotated Mild CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000473148606 HH Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000473148613 HH Annotated Anodyne COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(C(C)(C)C)cc1 ZINC000473149142 HH Annotated Anodyne COc1ccc(C[n+]2ccc(/C=C3\OCc4c(ccc(OC)c4OC)C3=O)cc2)cc1 ZINC000473151519 HH Annotated Mild COc1ccccc1C[n+]1ccc(/C=C2\OCc3c(ccc(OC)c3OC)C2=O)cc1 ZINC000473151525 HH Annotated Mild COc1ccc2[nH]ccc(=NC(=O)C3CCN(CCc4ccc(Cl)cc4)CC3)c2n1 ZINC000473152120 HH Annotated Anodyne CCCCCCNC(=O)CN1C(=O)[C@@H](CC(C)C)N=C(C)c2ccc(C(=O)O)cc21 ZINC000473152273 HH Annotated Anodyne COc1cccc(C[n+]2ccc(/C=C3\OCc4c(ccc(OC)c4OC)C3=O)cc2)c1 ZINC000473152726 HH Annotated Mild COc1ccc2c(c1OC)CO/C(=C\c1cc[n+](Cc3ccc(F)cc3)cc1)C2=O ZINC000473152872 HH Annotated Mild O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCCN1CCOCC1)C2 ZINC000473154661 HH Annotated Bother O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCCN1CCOCC1)C2 ZINC000473154662 HH Annotated Bother O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2coc(-c3cccnc3)n2)CC1 ZINC000473160657 HH Annotated Anodyne O=C(c1cccc(F)c1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 ZINC000473162349 HH Annotated Anodyne Cc1ccc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2nc(C)no2)nc1 ZINC000473162627 HH Annotated Anodyne Cc1ccc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2nc(C)no2)nc1 ZINC000473162634 HH Annotated Anodyne COc1nc(-c2cc3ccc(SC)cc3[nH]2)[nH]c(=NCCc2ccc(F)cc2)n1 ZINC000473162720 HH Annotated Anodyne Cc1cc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)on1 ZINC000473162734 HH Annotated Anodyne O=C(c1cc(F)ccc1-c1cc[nH]n1)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 ZINC000473162849 HH Annotated Anodyne Cc1cccc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2nc(C)no2)n1 ZINC000473162862 HH Annotated Anodyne Cc1cccc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2nc(C)no2)n1 ZINC000473162863 HH Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3ccc(O)nc3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473164924 HH Annotated Anodyne CC(=O)c1c[nH]c2ccc(N3CCCC3)nc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1 ZINC000473164968 HH Annotated Anodyne NC(=O)c1nc(Nc2ccc3cc(CO)ccc3c2)sc1NC(=O)c1ccsc1 ZINC000473164987 HH Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3c(C)n[nH]c3C)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473164989 HH Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3ccncc3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473164997 HH Annotated Anodyne COc1cc(N=c2[nH]c(C(N)=O)c(NC(=O)c3ccsc3)s2)cc2ccccc12 ZINC000473165230 HH Annotated Anodyne CCN(Cc1ccc2nc[nH]c2c1Cl)c1nccc(=Nc2cc(C3CC3)[nH]n2)[nH]1 ZINC000473169060 HH Annotated Anodyne Cc1cc(C)nc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2nc(C)no2)n1 ZINC000473170662 HH Annotated Anodyne Cc1cc(C)nc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccccc2-c2nc(C)no2)n1 ZINC000473170663 HH Annotated Anodyne Cc1coc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)n1 ZINC000473170678 HH Annotated Anodyne COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](Nc1ncc(C(F)(F)F)cn1)C2 ZINC000473170726 HH Annotated Anodyne COc1c(F)cccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](Nc1ccc(Br)cn1)C2 ZINC000473171425 HH Annotated Anodyne Cc1coc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)n1 ZINC000473171529 HH Annotated Anodyne COc1nc(-c2ccc(OC)c3nc(C)ccc23)nc(=NCCc2ccc(F)cc2)[nH]1 ZINC000473179225 HH Annotated Anodyne Cc1cc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)on1 ZINC000473180291 HH Annotated Anodyne Cc1ccc(N2CCCC2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)n1 ZINC000473180320 HH Annotated Anodyne O=C(c1c(F)cccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 ZINC000473180327 HH Annotated Anodyne Cc1ccc(-c2ncco2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)n1 ZINC000473180412 HH Annotated Anodyne O=C(c1cc(F)ccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 ZINC000473180508 HH Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 ZINC000473183013 HH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cccc(C#N)c1F ZINC000473194371 HH Annotated Mild N#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2F)cc1F ZINC000473194394 HH Annotated Mild COc1cc(S(=O)(=O)c2ccc(OC(F)F)cc2)cc2c3c(oc12)CCNC3 ZINC000473194447 HH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1c(F)cccc1F ZINC000473194496 HH Annotated Mild COc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)cc1C#N ZINC000473194506 HH Annotated Mild N#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)c(F)c2)cc1F ZINC000473194809 HH Annotated Mild N#Cc1ccc(F)c(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)c1 ZINC000473194832 HH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cc(F)ccc1F ZINC000473194836 HH Annotated Mild COc1cc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)ccc1C#N ZINC000473194838 HH Annotated Mild COc1ccc(F)cc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N ZINC000473194961 HH Annotated Mild N#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)c(F)c1 ZINC000473197564 HH Annotated Mild N#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)cc1F ZINC000473197782 HH Annotated Mild N#Cc1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N ZINC000473198602 HH Annotated Mild COc1ccc(C#N)cc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N ZINC000473200843 HH Annotated Mild COc1ccc(F)c(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)c1 ZINC000473200866 HH Annotated Mild COc1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N ZINC000473201072 HH Annotated Mild CCCS(=O)(=O)N(C)Cc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](NC)CC2 ZINC000473210180 HH Annotated Anodyne CCCS(=O)(=O)N(C)Cc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](NC)CC2 ZINC000473210181 HH Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)[C@@H](Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)C2 ZINC000473220546 HH Annotated Anodyne CN1C[C@H](c2ccccc2)N[C@H](Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)O1 ZINC000473233231 HH Annotated Anodyne CN1C[C@H](c2ccccc2)N[C@@H](Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)O1 ZINC000473233232 HH Annotated Anodyne CN1C[C@@H](c2ccccc2)N[C@H](Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)O1 ZINC000473233234 HH Annotated Anodyne CN1C[C@@H](c2ccccc2)N[C@@H](Nc2cc3[nH]nc(-c4ccc(F)cc4)c3cn2)O1 ZINC000473233236 HH Annotated Anodyne C[C@H]1COc2c(CN(C)c3ccc(F)cc3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000473244494 HH Annotated Anodyne CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 ZINC000473245032 HH Annotated Anodyne CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@H](C(=O)N2CCC2)CC1 ZINC000473245317 HH Annotated Anodyne O=C(Cn1cc(-c2ccccc2)nn1)Nc1c(C(F)(F)F)n[nH]c1-c1ccccc1 ZINC000473247768 HH Annotated Anodyne Cc1ccc([C@@H]2CC(=O)C[C@H](c3ccc(C)cc3)C23C(=O)N(C)C(=O)N(C)C3=O)cc1 ZINC000473248559 HH Annotated Anodyne C=CC(=O)Nc1ccccc1N=c1[nH]c(N[C@@H]2CC[C@@H](N(C)C)CC2)ncc1Cl ZINC000474606057 HH Annotated Anodyne Cc1cc(C)c(CNC(=O)c2c(C)n([C@@H](C)c3cnn(C)c3)c3ccccc23)c(O)n1 ZINC000474609317 HH Annotated Anodyne Cc1cc(C)c(CNC(=O)c2c(C)n([C@H](C)c3cnn(C)c3)c3ccccc23)c(O)n1 ZINC000474609318 HH Annotated Anodyne CCCCN(c1ccccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000474609730 HH Annotated Bother Cc1cc(C)c(C2=NO[C@H](Cn3cnc4c(N5CCCCC5)ncnc43)C2)c(C)c1 ZINC000049015728 HH Annotated Anodyne Cc1cc(C)c(C2=NO[C@@H](Cn3cnc4c(N5CCCCC5)ncnc43)C2)c(C)c1 ZINC000049015733 HH Annotated Anodyne Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(OC(F)(F)F)cc2-3)on1 ZINC000049033220 HH Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OCC(CN1CCCCC1)(CN1CCCCC1)C3=O ZINC000049033578 HH Annotated Anodyne C=C(C)[C@H]1CC=C(C)[C@]2(O)[C@@H](C(=O)OC)O[C@@H](c3ccccc3Br)[C@H]12 ZINC000049034177 HH Annotated Mild Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccccc1[N+](=O)[O-] ZINC000049035090 HH Annotated Clean CS(=O)(=O)N(Cc1c(F)cccc1-c1cccc(Cl)c1)CC1CCNCC1 ZINC000049035254 HH Annotated Anodyne Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049035665 HH Annotated Clean CC1(C)C(=O)c2[nH]ncc2[C@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049036203 HH Annotated Anodyne CC1(C)C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049036205 HH Annotated Anodyne O=C(c1nccs1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 ZINC000049036395 HH Annotated Anodyne CN(C)C(=O)Oc1ccc(-c2cn3c(NC(=O)c4ccccc4)cccc3[n+]2C)cc1 ZINC000049036561 HH Annotated Anodyne Cc1ccc(C2=NN[C@H]3C=C[C@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@@H]4N23)cc1 ZINC000049045770 HH Annotated Anodyne Cc1ccc(C2=NN[C@@H]3C=C[C@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@@H]4N23)cc1 ZINC000049045774 HH Annotated Anodyne Cc1ccc(C2=NN[C@H]3C=C[C@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@H]4N23)cc1 ZINC000049045778 HH Annotated Anodyne Cc1ccc(C2=NN[C@@H]3C=C[C@H]4C(C(F)(F)F)=CC(C(F)(F)F)=N[C@H]4N23)cc1 ZINC000049045781 HH Annotated Anodyne CC[C@@H]1N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H](CC)c2cn[nH]c2C1(F)F ZINC000049047522 HH Annotated Anodyne COc1cc(/C=N/n2c(S)nnc2-c2nc(C(C)C)cs2)cc(OC)c1OC ZINC000049051781 HH Annotated Mild CCOc1ccc2c(c1)cc([C@@H](OC(C)=O)P(=O)(OCC)OCC)c1nnnn12 ZINC000049054443 HH Annotated Anodyne CCOc1ccc2c(c1)cc([C@H](OC(C)=O)P(=O)(OCC)OCC)c1nnnn12 ZINC000049054446 HH Annotated Anodyne COc1cccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)c1 ZINC000049054618 HH Annotated Clean Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(CNN3CCCCC3)ccc1C2=O ZINC000049066427 HH Annotated Anodyne COC[C@H](C1CC1)n1cc(Cl)nc(Nc2ccc(OC(F)F)nc2C)c1=O ZINC000049066796 HH Annotated Anodyne CCOP(=O)(OCC)[C@H](OC(C)=O)c1cc2cccc(CC)c2n2nnnc12 ZINC000049066882 HH Annotated Anodyne CCOP(=O)(OCC)[C@@H](OC(C)=O)c1cc2cccc(CC)c2n2nnnc12 ZINC000049066884 HH Annotated Anodyne CC(=O)C[C@@H]1C[C@@]2(C)CC=C3CO[C@@H](CC(C)=O)[C@]3(O1)[C@@H]2/C=C/OC(=O)C=C(C)C ZINC000049067257 HH Annotated Anodyne COc1ccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)cc1 ZINC000049067665 HH Annotated Clean CC(C)C(=O)O[C@@H](C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049068038 HH Annotated Clean CC(C)C(=O)O[C@H](C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049068040 HH Annotated Clean O=C(NNc1nncc2ccccc12)[C@@H]1C[C@@H]1c1ccc(OCC(F)(F)F)cc1 ZINC000049070095 HH Annotated Reactive O=C(NNc1nncc2ccccc12)[C@H]1C[C@@H]1c1ccc(OCC(F)(F)F)cc1 ZINC000049070098 HH Annotated Reactive O=C(NNc1nncc2ccccc12)[C@@H]1C[C@H]1c1ccc(OCC(F)(F)F)cc1 ZINC000049070100 HH Annotated Reactive O=C(NNc1nncc2ccccc12)[C@H]1C[C@H]1c1ccc(OCC(F)(F)F)cc1 ZINC000049070103 HH Annotated Reactive COc1ccc2c(c1)c(/C=C1\Oc3cc(O)cc(O)c3C1=O)c(C)n2CCN(C)C ZINC000049070590 HH Annotated Mild COCC(COC)N[C@@H]1NC(C)=Nc2c(-c3ccc(Cl)cc3Cl)c(C)nn21 ZINC000049070823 HH Annotated Anodyne COCC(COC)N[C@H]1NC(C)=Nc2c(-c3ccc(Cl)cc3Cl)c(C)nn21 ZINC000049070825 HH Annotated Anodyne COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)C(=O)[C@@H](C)[C@@H](C)C2 ZINC000049071905 HH Annotated Anodyne COc1cc(OC)c(C(=O)c2ccccc2Br)c(O)c1CN1CCCC1 ZINC000049072643 HH Annotated Clean CCCC(=O)O[C@@H](C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049073039 HH Annotated Clean CCCC(=O)O[C@H](C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049073041 HH Annotated Clean COCCN(C(=O)c1ccc2c(c1)CCO2)c1ccnc(N[C@@H](C)c2ccccc2)n1 ZINC000049087603 HH Annotated Anodyne O=C(Oc1ccc(Cl)cc1OC(=O)c1cc(O)cc(O)c1)c1cc(O)cc(O)c1 ZINC000049087786 HH Annotated Anodyne Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CCOCC3)cc3c(nc(C)n3C)c2O1 ZINC000049088942 HH Annotated Anodyne CCc1cccc(CC)c1NCC(=O)N1CCCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000049088962 HH Annotated Anodyne COC1CN(C(=O)c2cc3c(nc(C)n3C)c3c2CC[C@@H](c2ccccc2C)O3)C1 ZINC000049089022 HH Annotated Anodyne O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(Oc2ccc(F)cc2)nc1 ZINC000049110793 HH Annotated Anodyne COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2ccc(OC(F)F)nc2C)c1=O ZINC000049111006 HH Annotated Anodyne CC[C@@H](N)COc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1 ZINC000049112069 HH Annotated Bother Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000049112210 HH Annotated Clean CCN1CCC(N(C)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1 ZINC000049113147 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@@H]1c1cc(F)cc(F)c1 ZINC000049113158 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@H]1c1cc(F)cc(F)c1 ZINC000049113159 HH Annotated Anodyne COc1ccc2c(c1)c(/C=C1\Oc3cc(O)cc(O)c3C1=O)c(C)n2CCCN(C)C ZINC000049113691 HH Annotated Mild O=C(O)CCNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049114860 HH Annotated Anodyne O=C(O)CCNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049114864 HH Annotated Anodyne O=C1Nc2cccc(F)c2[C@@H]1Cc1cccc(C[C@H]2C(=O)Nc3cccc(F)c32)n1 ZINC000049115951 HH Annotated Anodyne CC(C)CCN1[C@H](c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O ZINC000049116093 HH Annotated Anodyne CC(C)CCN1[C@@H](c2cn(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O ZINC000049116098 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc2c(CN=[N+]=[N-])cc(=O)oc2cc1C ZINC000049124552 HH Annotated Clean Cn1cnnc1SCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000049552006 HH Annotated Anodyne CC(C)(N)CNC(=O)CCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049694762 HH Annotated Reactive C[C@@H](c1ccccc1)[C@@H]1C(=O)O[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O ZINC000049720601 HH Annotated Anodyne C[C@H](c1ccccc1)[C@@H]1C(=O)O[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)C1=O ZINC000049720603 HH Annotated Anodyne NC1(C(=O)NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CCCCC1 ZINC000049746901 HH Annotated Reactive CCCCCCCCC#C[C@]1(O)C(C)(C)C(=O)N2[C@@H](C(C)(C)C)OC[C@@]21C(=O)OC ZINC000049780830 HH Annotated Mild COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](O)[C@@H](C)[C@@H](C)C2 ZINC000049783666 HH Annotated Anodyne O=C(OCc1ccccc1)c1coc(-c2cccnc2S(=O)(=O)c2ccccc2)n1 ZINC000049783765 HH Annotated Anodyne CC[C@H](N)COc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1 ZINC000049784558 HH Annotated Bother O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(Nc2ccc(F)cc2)nc1 ZINC000049785376 HH Annotated Anodyne COCCO[C@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2NC1=O ZINC000049793219 HH Annotated Anodyne COCCO[C@@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2NC1=O ZINC000049793220 HH Annotated Anodyne C[C@@]12CC[C@@H](C1)[C@H](n1cnc3c(Cl)ncnc31)[C@H]2n1cnc2c(Cl)ncnc21 ZINC000049799621 HH Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@H](CO)[C@H]4C/C(=N/O[C@@H]5CCNC5)CC[C@]34C)[C@@H]1CCC2=O ZINC000049799653 HH Annotated Mild CNCCCO/N=C1\CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@H](CO)[C@H]2C1 ZINC000049802446 HH Annotated Mild O=C(NCCS(=O)(=O)Cc1cccc(Cl)c1)c1c(Cl)cccc1Cl ZINC000049803359 HH Annotated Anodyne C[C@]12C=C[C@H](C1)[C@H](n1cnc3c(Cl)ncnc31)[C@H]2n1cnc2c(Cl)ncnc21 ZINC000049808210 HH Annotated Anodyne N#Cc1c(NC(N)=S)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1 ZINC000049808308 HH Annotated Mild CCOc1ccc2c(C)cc(=O)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000049808476 HH Annotated Anodyne CCc1csc(NC(=O)[C@@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000049808511 HH Annotated Anodyne CCc1csc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000049808512 HH Annotated Anodyne CS(=O)(=O)c1ccc([N+]2=NC(C(F)(F)F)=C/C2=C2/C=CN(O)C(O)=C2)cc1 ZINC000049841052 HH Annotated Anodyne CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@@H](CCc2ccccc2)C1=O ZINC000049850792 HH Annotated Anodyne CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@@H](CCc2ccccc2)C1=O ZINC000049850797 HH Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C/C(=N\O)[C@H]4C/C(=N/O[C@@H]5CCNC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000049863780 HH Annotated Mild CO/N=C1\C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC/C(=N\O[C@@H]3CCNC3)C[C@H]12 ZINC000049863785 HH Annotated Mild C[C@]12CC[C@H]3[C@@H](C[C@H](CCO)[C@H]4C/C(=N/O[C@@H]5CCNC5)CC[C@]34C)[C@@H]1CCC2=O ZINC000049863803 HH Annotated Mild CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@@H](c2c[nH]c3ccccc23)C1=O ZINC000049864946 HH Annotated Anodyne CC(C)(C)NC(=O)[C@]1(CCc2ccccc2)OC(=O)[C@@H](c2c[nH]c3ccccc23)C1=O ZINC000049864947 HH Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CNCCCCn1ccc(=O)c(O)c1C)O2 ZINC000049871965 HH Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNCCCCn1ccc(=O)c(O)c1C)O2 ZINC000049871966 HH Annotated Anodyne CCCCC1=C(Br)[C@](OC)(C(Br)Br)OC1=O ZINC000049888747 HH Annotated Reactive CCCCC1=C(Br)[C@@](OC)(C(Br)Br)OC1=O ZINC000049888748 HH Annotated Reactive CCN(CC)CCN(C(=O)c1ccc(NS(C)(=O)=O)cc1)c1c(C)cccc1C ZINC000049916488 HH Annotated Anodyne FC(F)(F)c1cccc(N2CCN(CCc3nnc4n3C[C@@H]3CCC[C@H]43)CC2)c1 ZINC000000537940 HH Annotated Anodyne world Nc1ccc(S(=O)(=O)Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1 ZINC000000578168 HH Annotated Anodyne CN(C)c1cccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000000581861 HH Annotated Anodyne CNc1cccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000000581879 HH Annotated Anodyne Cc1cccc2c(CN(C)C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)c(C)n(C)c12 ZINC000000596506 HH Annotated Anodyne C/N=C(/S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNS(=O)(=O)c1ccccc1 ZINC000000597878 HH Annotated Mild Cc1nc2sc3c(c2c(N)c1C(=O)OCc1ccccc1)CCC1(C3)OCCO1 ZINC000000599038 HH Annotated Anodyne CCc1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc2ccc(=O)[nH]c12 ZINC000000599067 HH Annotated Anodyne CC[C@H]1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O ZINC000000600363 HH Annotated Anodyne O=c1c(CC[S@](=O)c2ccccc2)c(O)n(-c2ccccc2)n1-c1ccccc1 ZINC000000601310 HH Annotated Anodyne CSc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c2c(c1)N(C)CCO2 ZINC000000601532 HH Annotated Anodyne CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(OC)cc(OC)cc2OC)c1C ZINC000000602153 HH Annotated Anodyne CCC(=O)N(c1ccccc1)C1(c2ccccn2)CCN(CCn2cccn2)CC1 ZINC000000603299 HH Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2ccccn2)CCN(CCn2cccn2)CC1 ZINC000000603300 HH Annotated Anodyne CCOC(=O)C1(c2cccc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1 ZINC000000603609 HH Annotated Anodyne N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 ZINC000000623239 HH Annotated Reactive N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 ZINC000000623241 HH Annotated Reactive O=C(NC[C@H]1CCCO1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000000673763 HH Annotated Anodyne CC[C@@H](C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12 ZINC000000721096 HH Annotated Anodyne CC[C@H](C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12 ZINC000000721097 HH Annotated Anodyne CCOC(=O)c1nc(N2CCC[C@@H](C(=O)OCC)C2)c2c3c(sc2n1)CCCC3 ZINC000000752905 HH Annotated Anodyne CCOC(=O)c1nc(N2CCC[C@H](C(=O)OCC)C2)c2c3c(sc2n1)CCCC3 ZINC000000752907 HH Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)NCCC3=CCCCC3)sc2n1 ZINC000000753828 HH Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)sc2n1 ZINC000000753835 HH Annotated Anodyne COc1cc([C@H]2Cc3c(C(=O)O)c(=O)cc(C)n3-c3ccccc3S2)ccc1O ZINC000000755552 HH Annotated Anodyne COc1cc([C@@H]2Cc3c(C(=O)O)c(=O)cc(C)n3-c3ccccc3S2)ccc1O ZINC000000755553 HH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000756201 HH Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000756202 HH Annotated Anodyne COC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(c2ccccc2C)C(=S)N=C1O ZINC000000756387 HH Annotated Clean COc1cc(-c2ncnn2-c2ccc(Br)cc2F)cc(OC)c1OC ZINC000000758003 HH Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758447 HH Annotated Anodyne CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758448 HH Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758625 HH Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758626 HH Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000760347 HH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000760348 HH Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000760349 HH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000760350 HH Annotated Anodyne COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763099 HH Annotated Anodyne COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763100 HH Annotated Anodyne C[C@H]([C@H](O)c1ccccc1)N(C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000000766682 HH Annotated Anodyne O=c1[nH]c2ccc(N3CCC(O)(Cc4ccccc4)CC3)nc2nc1-c1ccccc1 ZINC000000766688 HH Annotated Anodyne Cc1cccc(C)c1N1CCN(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)CC1 ZINC000000766697 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000000766936 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000766963 HH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 ZINC000000767057 HH Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000000767114 HH Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000767466 HH Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000000767468 HH Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)c1OC ZINC000000767486 HH Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)c1OC ZINC000000767488 HH Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc(OC)c1 ZINC000000767494 HH Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc(OC)c1 ZINC000000767496 HH Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000767566 HH Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000767568 HH Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N(C)C ZINC000000767795 HH Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N(C)C ZINC000000767797 HH Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)cc1OC ZINC000000767885 HH Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)cc1OC ZINC000000767887 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000767920 HH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000767921 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000767936 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NC[C@H](O)CC ZINC000000767996 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000768671 HH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000768672 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000000768705 HH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000000768706 HH Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000000768780 HH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c1 ZINC000000768791 HH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c1 ZINC000000768792 HH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000769022 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000769024 HH Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)c(OC)c1OC ZINC000000769101 HH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)c(OC)c1OC ZINC000000769103 HH Annotated Anodyne CCOc1cc(CCNC(=O)[C@@]2(C)CON=C2c2ccc(Cl)cc2)ccc1OC ZINC000000769241 HH Annotated Anodyne CCOc1cc(CCNC(=O)[C@]2(C)CON=C2c2ccc(Cl)cc2)ccc1OC ZINC000000769242 HH Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000000769280 HH Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(C(C)C)cc1 ZINC000000769379 HH Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCc2ccccc2Br)cc1 ZINC000000769528 HH Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCc2ccccc2Br)cc1 ZINC000000769529 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000769531 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000769533 HH Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000000769596 HH Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000000769597 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770006 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770008 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770213 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770215 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000000770277 HH Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000000770279 HH Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 ZINC000000770285 HH Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 ZINC000000770287 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000770547 HH Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCc1ccccc1Br ZINC000000770555 HH Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCc1ccccc1Br ZINC000000770556 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1N ZINC000000771762 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCc1ccccc1N ZINC000000771764 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000000771778 HH Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N(C)C ZINC000000771943 HH Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N(C)C ZINC000000771945 HH Annotated Bother CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NC[C@H](O)CC ZINC000000771967 HH Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CCOCC1 ZINC000000772147 HH Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CCOCC1 ZINC000000772148 HH Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000000772180 HH Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000000772181 HH Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c1 ZINC000000772264 HH Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c1 ZINC000000772265 HH Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000772495 HH Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000772497 HH Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)c(OC)c1OC ZINC000000772574 HH Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)c(OC)c1OC ZINC000000772576 HH Annotated Anodyne CCOc1cc(CCNC(=O)[C@@]2(C)CON=C2c2cccc(Cl)c2)ccc1OC ZINC000000772712 HH Annotated Anodyne CCOc1cc(CCNC(=O)[C@]2(C)CON=C2c2cccc(Cl)c2)ccc1OC ZINC000000772713 HH Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000000772751 HH Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772825 HH Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000000772882 HH Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772884 HH Annotated Anodyne CC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773742 HH Annotated Bother COc1ccc(-c2noc(-c3ccoc3)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000774157 HH Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000774158 HH Annotated Anodyne COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)NCC(C)(C)CO)cc1 ZINC000000774272 HH Annotated Anodyne CC(C)NC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775328 HH Annotated Bother CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NC1CCCC1 ZINC000000775520 HH Annotated Bother COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000775788 HH Annotated Anodyne COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000775789 HH Annotated Anodyne CC(C)(CO)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000775912 HH Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)C)c([N+](=O)[O-])cc1OC ZINC000000776286 HH Annotated Bother CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776790 HH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776791 HH Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776792 HH Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776793 HH Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)cc1OC ZINC000000776833 HH Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)cc1OC ZINC000000776834 HH Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)cc1OC ZINC000000776989 HH Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)cc1OC ZINC000000776990 HH Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1 ZINC000000777190 HH Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1 ZINC000000777191 HH Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000000777192 HH Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000000777193 HH Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC ZINC000000777201 HH Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC ZINC000000777202 HH Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC ZINC000000777203 HH Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)cc1OC ZINC000000777204 HH Annotated Anodyne Cn1c(O)c(/N=N/C(=O)CNC(=O)c2ccccc2)c2cc(Br)ccc21 ZINC000000821845 HH Annotated Clean O=C(NC[C@@H]1CCCO1)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000866931 HH Annotated Anodyne CCc1nnc(NC(=O)CSc2nnc3c(C)cc4c(C)cc(C)cc4n23)s1 ZINC000000877241 HH Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)CN3CCC[C@@H](C)C3)cc2c1 ZINC000000891960 HH Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)CN3CCC[C@H](C)C3)cc2c1 ZINC000000891963 HH Annotated Anodyne Cc1nn(C)c(C)c1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000918357 HH Annotated Anodyne CCc1nnc(NC(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)s1 ZINC000000929677 HH Annotated Anodyne Cc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2cccs2)cc1 ZINC000005005363 HH Annotated Anodyne aggregator Cc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000005005381 HH Annotated Anodyne COc1cc(/C=N/Nc2nc3nonc3nc2Nc2ccc(Cl)cc2)ccc1O ZINC000005005974 HH Annotated Mild Cc1noc(C)c1S(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc(C(C)C)cc1 ZINC000005026305 HH Annotated Anodyne COc1ccccc1-c1cc(N)n(S(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000005034619 HH Annotated Anodyne O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCCCC1 ZINC000005042504 HH Annotated Anodyne CCOC(=O)N1CCC(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)CC1 ZINC000005049568 HH Annotated Anodyne Cc1ccsc1-c1nc(CSCC(=O)N2CCC3(CC2)OCCO3)c(C)o1 ZINC000005057705 HH Annotated Anodyne CCCN(CCC)C(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2(=O)=O ZINC000005058574 HH Annotated Anodyne O=C(Nc1cccc(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000005066840 HH Annotated Anodyne aggregator O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000005066849 HH Annotated Anodyne aggregator CCc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 ZINC000005067031 HH Annotated Anodyne CCc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 ZINC000005067043 HH Annotated Anodyne CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000005070411 HH Annotated Anodyne CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000005070418 HH Annotated Anodyne CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000005070424 HH Annotated Anodyne CC1(C)C[C@@H](NC[C@H]2CCCO2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000005070430 HH Annotated Anodyne COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000005070743 HH Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000005070748 HH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CC(C)(C)O2 ZINC000005070786 HH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCc1ccc(OC)cc1)CC(C)(C)O2 ZINC000005070792 HH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OC)cc1)CC(C)(C)O2 ZINC000005070796 HH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCc1ccc(OC)cc1)CC(C)(C)O2 ZINC000005070802 HH Annotated Anodyne COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000005070815 HH Annotated Anodyne COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000005070821 HH Annotated Anodyne COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000005070870 HH Annotated Anodyne COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000005070876 HH Annotated Anodyne COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000005070882 HH Annotated Anodyne COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000005070888 HH Annotated Anodyne COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000005084963 HH Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)sc2n1 ZINC000005093586 HH Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)sc2n1 ZINC000005093589 HH Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)sc2n1 ZINC000005093592 HH Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)sc2n1 ZINC000005093595 HH Annotated Anodyne CCN(CC)CCCNC(=O)C1CCN(c2nc3c(C)cc(C)cc3s2)CC1 ZINC000005106836 HH Annotated Anodyne O=C1c2ccccc2C(=O)c2c(NCCCCCO)ccc(NCCCCCO)c21 ZINC000005117464 HH Annotated Clean C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(N2CCOCC2)cc1 ZINC000005119656 HH Annotated Reactive COc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1 ZINC000005135434 HH Annotated Anodyne CN1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccc(Br)cc2)N3)C1 ZINC000005200236 HH Annotated Anodyne C/C=C/c1ccc2oc(-c3ccc(O[C@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)cc3)c(C)c2c1 ZINC000005208270 HH Annotated Anodyne C/C=C/c1ccc2oc(-c3ccc(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)cc3)c(C)c2c1 ZINC000005208271 HH Annotated Anodyne COc1ccc(Nc2nc3nonc3nc2N/N=C/c2cc(Cl)ccc2O)cc1 ZINC000005249242 HH Annotated Mild Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccccc1OC(F)F ZINC000005291698 HH Annotated Anodyne CC(C)=CCC/C(C)=C\COc1ccc(/C=C2\C(=O)N(O)[C@@H](C)C(=O)N2O)cc1 ZINC000005299019 HH Annotated Anodyne Oc1c(Br)cc(Br)cc1/C=N/Nc1ccc(Cl)nn1 ZINC000005415176 HH Annotated Mild CCCCCn1c(N)c(-c2nc3ccccc3s2)c2c([N+](=O)[O-])nn(C)c(=O)c21 ZINC000005415326 HH Annotated Bother CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c([N+](=O)[O-])nn(CC)c(=O)c21 ZINC000005415344 HH Annotated Bother C=CC[C@@]1([C@@H](C)[C@H](OC(C)=O)c2cc(OC)c3c(c2)OCO3)C[C@H](OC)C=CC1=O ZINC000005431991 HH Annotated Mild CCOC(=O)C1=C(C)N=C(SCc2cc(O)n[nH]2)[C@@H](C#N)[C@H]1c1cccs1 ZINC000005433402 HH Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccc(Br)cc1 ZINC000005433599 HH Annotated Bother Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1ccc(Br)cc1 ZINC000005433601 HH Annotated Bother Cc1cc(O)c(C2=NCCS[C@H](c3cc(Br)ccc3O)C2)c(=O)o1 ZINC000005441420 HH Annotated Anodyne Cc1cc(O)c(C2=NCCS[C@@H](c3cc(Br)ccc3O)C2)c(=O)o1 ZINC000005441543 HH Annotated Anodyne CCOc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000005444567 HH Annotated Anodyne CCOc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000005444569 HH Annotated Anodyne Cc1ccc(C)c(N2N=C(C(=O)OCc3nnc(-c4cccs4)o3)CCC2=O)c1 ZINC000005450238 HH Annotated Anodyne CC(=O)c1ccc(NC(=O)COC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1 ZINC000005498785 HH Annotated Bother CN(c1ccc(-c2csc(C(C)(C)C(=O)OC(C)(C)C)n2)cc1)S(C)(=O)=O ZINC000509073972 HH Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3CSC[C@@H]32)OCO4)cc(OC)c1OC ZINC000052650334 HH Annotated Anodyne COc1cc([C@H]2c3cc4c(cc3[C@@H](O)[C@H]3CSC[C@H]23)OCO4)cc(OC)c1OC ZINC000052650343 HH Annotated Anodyne Cc1ccc(NCC2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)[C@@H]3[C@@H]2F)cc1C ZINC000053006950 HH Annotated Mild Cc1ccc(NCC2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)[C@H]3[C@@H]2F)cc1C ZINC000053006951 HH Annotated Mild Cc1ccc(NCC2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)[C@@H]3[C@H]2F)cc1C ZINC000053006952 HH Annotated Mild Cc1ccc(NCC2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)[C@H]3[C@H]2F)cc1C ZINC000053006953 HH Annotated Mild O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(CNc3ccc(Cl)cc3)[C@H]2F)C1=O ZINC000053007016 HH Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(CNc3ccc(Cl)cc3)[C@H]2F)C1=O ZINC000053007018 HH Annotated Mild O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(CNc3ccc(Cl)cc3)[C@@H]2F)C1=O ZINC000053007019 HH Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(CNc3ccc(Cl)cc3)[C@@H]2F)C1=O ZINC000053007021 HH Annotated Mild OCCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(C(F)(F)F)cc2)CC1 ZINC000053084314 HH Annotated Anodyne O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(CNc3cccc(Cl)c3)[C@H]2F)C1=O ZINC000053199410 HH Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(CNc3cccc(Cl)c3)[C@H]2F)C1=O ZINC000053199411 HH Annotated Mild O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(CNc3cccc(Cl)c3)[C@@H]2F)C1=O ZINC000053199412 HH Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(CNc3cccc(Cl)c3)[C@@H]2F)C1=O ZINC000053199413 HH Annotated Mild O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(CNc3ccc(F)c(Cl)c3)[C@H]2F)C1=O ZINC000053199432 HH Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(CNc3ccc(F)c(Cl)c3)[C@H]2F)C1=O ZINC000053199433 HH Annotated Mild O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(CNc3ccc(F)c(Cl)c3)[C@@H]2F)C1=O ZINC000053199434 HH Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(CNc3ccc(F)c(Cl)c3)[C@@H]2F)C1=O ZINC000053199435 HH Annotated Mild Nc1ccc(CCC(=O)Oc2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)cc1 ZINC000053224518 HH Annotated Clean COc1ccccc1N1C(=O)c2ccc(OC(=O)CCc3ccc(N)cc3)cc2C1=O ZINC000053226555 HH Annotated Clean Cc1ccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)cc4)cc3C2=O)cc1 ZINC000053226557 HH Annotated Clean OCCN1CCN(C2=Nc3ccccc3CC=C2c2cccc(C(F)(F)F)c2)CC1 ZINC000053226596 HH Annotated Anodyne O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1ccn(-c3ccccc3)c1-2 ZINC000053230535 HH Annotated Anodyne CC(=O)Oc1ccc2cc(-n3cc(-c4cc5ccccc5[nH]4)nn3)c(=O)oc2c1C ZINC000053243567 HH Annotated Anodyne O=C(N/N=C\c1cccc(O)c1)Nc1nnc(COc2ccc3ccccc3c2)o1 ZINC000053244058 HH Annotated Reactive COc1ccc(/C=N\NC(=O)Nc2nnc(COc3ccc4ccccc4c3)o2)cc1 ZINC000053276578 HH Annotated Reactive CCOc1ccc(/N=C/c2c(-c3ccccc3)[n+]([O-])c3ccc(OC)cc3[n+]2[O-])cc1 ZINC000053293507 HH Annotated Mild CC(=O)Oc1ccc2cc(-n3cc(-c4c[nH]c5ccccc45)nn3)c(=O)oc2c1C ZINC000053293806 HH Annotated Anodyne COc1cccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)cc4)cc3C2=O)c1 ZINC000053294093 HH Annotated Clean COc1ccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)cc4)cc3C2=O)cc1 ZINC000053294096 HH Annotated Clean C/C(=N/NC(=O)Nc1nnc(COc2ccc3ccccc3c2)o1)c1ccc(N)cc1 ZINC000053294766 HH Annotated Reactive O=C(N/N=C\c1ccc(O)cc1)Nc1nnc(COc2ccc3ccccc3c2)o1 ZINC000053295289 HH Annotated Reactive N#Cc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccsc3)c2C#N)cc1 ZINC000053295356 HH Annotated Mild O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1ccn(Cc3ccccc3)c1-2 ZINC000053314166 HH Annotated Anodyne C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(OC(=O)CCC)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1O ZINC000005500306 HH Annotated Mild COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(N)cc43)[nH]c2c(OC)c1OC ZINC000005550070 HH Annotated Reactive C[C@H](Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1c2ccccc2nc2ccccc12 ZINC000005550672 HH Annotated Bother CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1 ZINC000005563390 HH Annotated Mild CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1 ZINC000005563400 HH Annotated Mild CCN(CC)c1ccc(/C=C(\C#N)c2nc(N)nc(N3N=C(C)CC3(C)C)n2)cc1 ZINC000005582347 HH Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4ccc(N)cc43)cc2c1 ZINC000005582650 HH Annotated Reactive CCN(CC)c1ccc2c(c1)OC(=O)[C@H](c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000005582948 HH Annotated Bother Cc1ccc(NC(=O)C[C@@H]2SC(N/N=C3\CCCc4ccccc43)=NC2=O)cc1 ZINC000005600480 HH Annotated Mild C[C@H](NC(=O)C(=O)N/N=C1\C[C@@H](c2ccccc2)Nc2ccccc21)c1ccccc1 ZINC000005615839 HH Annotated Reactive C[C@@H](NC(=O)C(=O)N/N=C1\C[C@@H](c2ccccc2)Nc2ccccc21)c1ccccc1 ZINC000005615840 HH Annotated Reactive Cc1ccc(Cn2nnnc2CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000005625981 HH Annotated Anodyne COc1cccc(C=NN(C)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1O ZINC000005662869 HH Annotated Anodyne N#C[C@@H](C(=O)/C(=N/NC(=O)c1ccccc1O)[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000005722377 HH Annotated Reactive N#C[C@@H](C(=O)/C(=N/NC(=O)c1ccccc1O)[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000005722378 HH Annotated Reactive N#C[C@@H](C(=O)/C(=N\NC(N)=O)[C@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005722425 HH Annotated Reactive N#C[C@@H](C(=O)/C(=N\NC(N)=O)[C@@H](C#N)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005722426 HH Annotated Reactive CCN(CC)CCN1CCN=C2c3cc(OC)ccc3Nc3c([N+](=O)[O-])ccc1c32 ZINC000005733927 HH Annotated Clean C=C(C)[C@@H]1C[C@H]2C(C)=C(OC(C)=O)[C@@H]1n1c(=O)c3cc4ccccc4cc3c(=O)n12 ZINC000005757517 HH Annotated Mild C=C(C)[C@H]1C[C@H]2C(C)=C(OC(C)=O)[C@@H]1n1c(=O)c3cc4ccccc4cc3c(=O)n12 ZINC000005757518 HH Annotated Mild C/N=c1\scc(C)n1/N=C/c1cc(Br)c(O)c(Br)c1 ZINC000005786072 HH Annotated Mild CCOC(=O)N(c1ccccc1)N(CC)C(=O)/C(C)=N/Nc1ccc([N+](=O)[O-])cc1 ZINC000005807503 HH Annotated Reactive CCN(CC)C(=S)S[C@@H]1CCO[P@](=O)(N(CCCl)CCCl)N1C ZINC000005807558 HH Annotated Reactive CCN(CC)C(=S)S[C@@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1C ZINC000005807559 HH Annotated Reactive CCN(CC)C(=S)S[C@H]1CCO[P@](=O)(N(CCCl)CCCl)N1C ZINC000005807561 HH Annotated Reactive CCN(CC)C(=S)S[C@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1C ZINC000005807562 HH Annotated Reactive CCN1CC[C@H](CNc2cc(C)nc(/N=C(/N)Nc3cc(Cl)cc(Cl)c3)n2)C1 ZINC000005807721 HH Annotated Mild CO[C@H]1CC[C@@H](OC)C[C@H]1C1([C@@H]2C[C@H](OC)CC[C@@H]2OC)OC(=O)c2ccccc21 ZINC000005808630 HH Annotated Anodyne COc1cc2c(cc1OC)[C@H](SC)C(=O)N(Cc1cccc(OC)c1OC)CC2 ZINC000005809734 HH Annotated Anodyne Cn1ccc2c3nc4cc(Br)ccc4c4c3c(c(=O)c-2c1)[N+](C)(C)CC4=O ZINC000005811292 HH Annotated Mild in-vivo O=C1C[C@]2(CC[C@](O)(c3ccco3)[C@H](C(=O)c3ccco3)C2)C(=O)c2ccccc2N1 ZINC000005822792 HH Annotated Anodyne O=C1C[C@]2(CC[C@@](O)(c3ccco3)[C@H](C(=O)c3ccco3)C2)C(=O)c2ccccc2N1 ZINC000005822794 HH Annotated Anodyne Cc1ccc(NC(=O)c2c(C)nc(=O)n3c2N(/N=C/c2ccc(Cl)cc2)CC3)cc1 ZINC000005833297 HH Annotated Mild COc1cc(C=O)c(-c2cc3c(cc2[C@]2(C)OCCS2)OCO3)c(OC)c1OC ZINC000005833321 HH Annotated Anodyne CC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O ZINC000005833532 HH Annotated Anodyne CC(=O)c1ccc(F)c([C@@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1O ZINC000005833545 HH Annotated Anodyne CC(=O)c1ccc(F)c([C@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O ZINC000005833560 HH Annotated Anodyne CC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1O ZINC000005833573 HH Annotated Anodyne COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1[C@H]1CN3CCC[C@@]3(O)C=C21 ZINC000005839261 HH Annotated Anodyne in-vitro biogenic COC(=O)Cc1c([C@H]2[C@H](CC(=O)OC)c3ccccc3N2C(C)=O)[nH]c2ccccc12 ZINC000005848221 HH Annotated Anodyne C=CC[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C1=O ZINC000005881496 HH Annotated Mild C[n+]1c2ccccc2c(/C=N\NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000005883657 HH Annotated Mild O=S(=O)(N/N=C\c1c2ccccc2[n+]([O-])c2ccccc12)c1ccc(Cl)cc1 ZINC000005884124 HH Annotated Mild COc1ccc(Oc2nc(C#CC(C)(C)O)nc(Oc3ccc(OC)cc3)n2)cc1 ZINC000005884730 HH Annotated Mild CC(C)(C)NC(=O)c1ccccc1C#C[C@@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000005885592 HH Annotated Mild CC(C)(C)NC(=O)c1ccccc1C#C[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000005885609 HH Annotated Mild CCc1cc(S(=O)(=O)Cc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C ZINC000005887502 HH Annotated Anodyne O/N=C1C(=C/c2ccc3c(c2)OCO3)/CCC[C@@H]/1[C@@H](NO)c1ccc2c(c1)OCO2 ZINC000005891886 HH Annotated Mild O/N=C1C(=C/c2ccc3c(c2)OCO3)/CCC[C@H]/1[C@@H](NO)c1ccc2c(c1)OCO2 ZINC000005891889 HH Annotated Mild COc1cc2c(c(O)c1OC)[C@H](O)[C@@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc12 ZINC000005922989 HH Annotated Anodyne COc1cc2c(c(O)c1OC)[C@H](O)[C@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc12 ZINC000005922991 HH Annotated Anodyne CC[C@H]1O[C@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000005923031 HH Annotated Anodyne CC[C@@H]1O[C@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](O)C3=C3OC(=O)C=C1[C@@H]32 ZINC000005923033 HH Annotated Anodyne COc1ccc2oc(S(=O)(=O)N3C[C@@H](CCl)c4ccc([N+](=O)[O-])cc43)cc2c1 ZINC000005923376 HH Annotated Reactive COC(=O)[C@H]1ON2O[C@H](O[C@@H]3CCCC[C@@H]3c3ccccc3)C[C@@H]3CC[C@H]1[C@@]32C ZINC000005923744 HH Annotated Anodyne COC(=O)[C@H]1ON2O[C@H](O[C@H]3CCCC[C@@H]3c3ccccc3)C[C@@H]3CC[C@H]1[C@@]32C ZINC000005923748 HH Annotated Anodyne O=C1Nc2c(COc3ccc([N+](=O)[O-])cc3)ccnc2N(C2CC2)c2ncccc21 ZINC000005933765 HH Annotated Bother OCC(CO)OCn1c(SCc2ccccc2)nc2c(Cl)c(Cl)ccc21 ZINC000005934251 HH Annotated Anodyne O=S1(=O)N=C(NCc2c[nH]c3ccccc23)N(c2ccccc2)c2ccncc21 ZINC000005939043 HH Annotated Anodyne COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccc([N+](=O)[O-])cc2)C1 ZINC000005940516 HH Annotated Bother O=S(=O)(/N=C(\NO)Nc1ccc(Cl)cc1)c1ccc(-c2ccccn2)s1 ZINC000005940838 HH Annotated Mild CC1(C)CC2(CC(C)(C)c3cc(NC(N)=O)c(O)cc32)c2cc(O)c(NC(N)=O)cc21 ZINC000005963567 HH Annotated Anodyne CC1(C)C[C@@]2(CC(C)(C)c3ccc(O)c(NC(N)=O)c32)c2cc(O)c(NC(N)=O)cc21 ZINC000005963706 HH Annotated Anodyne CC1(C)C[C@]2(CC(C)(C)c3ccc(O)c(NC(N)=O)c32)c2cc(O)c(NC(N)=O)cc21 ZINC000005963720 HH Annotated Anodyne Cc1nc(CN2CCN(c3nncc(-c4cccc5ccccc45)n3)CC2)cs1 ZINC000055090915 HH Annotated Anodyne O=C(c1ccc(Cl)s1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055109328 HH Annotated Anodyne O=C(c1ccc(Cl)s1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055109329 HH Annotated Anodyne O=C(CSc1ccccc1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055118803 HH Annotated Anodyne O=C(CSc1ccccc1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055118804 HH Annotated Anodyne CC(C)Cn1c(CN(C)Cc2ccc(C(F)(F)F)cc2)cnc1S(C)(=O)=O ZINC000055182532 HH Annotated Anodyne Clc1ccccc1CN1CCN(Cc2ccccc2Cl)[C@H](C2=NCCN2)C1 ZINC000055906567 HH Annotated Anodyne Fc1ccc(Cn2nnnc2[C@@H](c2ccc(Cl)cc2)N2CCSCC2)cc1 ZINC000057613911 HH Annotated Anodyne Fc1ccc(Cn2nnnc2[C@H](c2ccc(Cl)cc2)N2CCSCC2)cc1 ZINC000057613912 HH Annotated Anodyne COc1ccc([C@H]2N(c3cc(Cl)ccc3OC)C(=O)[C@H]3CCCN32)cc1OC ZINC000058046702 HH Annotated Anodyne COc1ccc([C@@H]2N(c3cc(Cl)ccc3OC)C(=O)[C@H]3CCCN23)cc1OC ZINC000058046704 HH Annotated Anodyne COc1cc(OC)c([C@H]2N(c3ccc(Cl)cc3)C(=O)[C@H]3CCCN32)cc1OC ZINC000058047544 HH Annotated Anodyne COc1cc(OC)c([C@@H]2N(c3ccc(Cl)cc3)C(=O)[C@H]3CCCN23)cc1OC ZINC000058047545 HH Annotated Anodyne Cc1ccc(C)c(CN2CCCN(C(=O)c3nn(C)c4c3COc3ccccc3-4)C2)c1 ZINC000058133768 HH Annotated Anodyne C[C@H]1/C(=N/N=C2\NC(=O)CS2)C[C@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000058480506 HH Annotated Mild N#Cc1cc(S(=O)(=O)NC[C@H](c2ccccc2)N2CCCCCC2)ccc1F ZINC000058487321 HH Annotated Mild CCOc1ccc(-c2nc(C#N)c3ncn(CCCN(C)C)c3n2)cc1C(F)(F)F ZINC000058494014 HH Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)o1 ZINC000584904711 HH Annotated Anodyne CCNC(=O)c1c(C)sc2nc(Cc3cccc(C(F)(F)F)c3F)cc(=O)n12 ZINC000584904989 HH Annotated Anodyne N=C1N[C@](c2ccc(OC(F)F)cc2)([C@@H]2C[C@H]2C(=O)c2cncc(Cl)c2)CO1 ZINC000584905152 HH Annotated Anodyne Cc1noc(C)c1[C@@H]1C[C@@H](c2cc(-c3cncnc3)c(F)cc2F)N[C@@H](N)S1 ZINC000584905303 HH Annotated Anodyne Cc1ccc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1[C@@H]1C[C@H]1C#N ZINC000584905430 HH Annotated Mild CCOc1ccc2cc(-c3cc(CN4CCNCC4)cc4[nH]nc(N)c34)ccc2c1 ZINC000584905537 HH Annotated Anodyne Clc1ccccc1CN1CCN(Cc2ccccc2Cl)[C@@H](C2=NCCN2)C1 ZINC000058501969 HH Annotated Anodyne COCCNC(=S)NNc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000058506624 HH Annotated Anodyne CC(C)C[C@@H]1n2cncc2CN(Cc2ccc(OC(F)(F)F)cc2)S1(=O)=O ZINC000058512165 HH Annotated Anodyne COc1ccc(OC)c([C@@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(S)=N2)c1 ZINC000058523003 HH Annotated Anodyne COc1ccc([C@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(S)=N2)cc1OC ZINC000058523111 HH Annotated Anodyne COc1cc(OC)c([C@@H]2C=C(c3cc(OC)ccc3OC)NC(S)=N2)c(OC)c1 ZINC000058528845 HH Annotated Anodyne COc1cc([C@H](O)[C@@H](C)[C@@H](C)Cc2cc(OC)c3c(c2)OCO3)cc(O)c1OC ZINC000058536336 HH Annotated Anodyne CN(C)CCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F ZINC000058538150 HH Annotated Mild COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000058541731 HH Annotated Anodyne CC(C)(C)OC(=O)NN(CC[C@H]1C=CCC1)c1nc(C#N)ncc1Br ZINC000058541882 HH Annotated Reactive CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](C[S@](=O)CCOC(=O)c2ccccc2)C1 ZINC000058546756 HH Annotated Anodyne CNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1 ZINC000058548331 HH Annotated Anodyne CC(C)(C)OC(=O)NN(CC1CCCCC1)c1nc(C#N)ncc1Br ZINC000058568872 HH Annotated Reactive CC(C)CN(NC(=O)c1cc2ccccc2o1)c1nc(C#N)ncc1Br ZINC000058575060 HH Annotated Reactive CC(C)CN(NC(=O)C(C)(C)c1ccccc1)c1nc(C#N)ncc1Br ZINC000058575629 HH Annotated Reactive COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2C)[nH]n1 ZINC000058575922 HH Annotated Anodyne CC(C)(C)OC(=O)NN(C[C@H]1CC=CCC1)c1nc(C#N)ncc1Br ZINC000058575972 HH Annotated Reactive CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)[C@@H]1CCCC1(C)C ZINC000058576444 HH Annotated Reactive C[C@@H]1CN([C@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CCN1C1CCC1 ZINC000058576584 HH Annotated Anodyne CC(C)CN(NC(=O)c1ccc2occc2c1)c1nc(C#N)ncc1Br ZINC000058576593 HH Annotated Reactive O=C(/C=C/c1ccc(C(F)(F)F)nc1)N1CCc2c(c3c(c4c2CCO4)OCC3)C1 ZINC000058581068 HH Annotated Anodyne O=C(Cc1cccs1)/C(=N/NC(=O)c1cccc(Br)c1)C(F)(F)F ZINC000058581073 HH Annotated Reactive C/C(NNC(=O)c1cccc(C(=O)O)c1)=C1/C(=O)N(c2ccccc2)c2ccccc21 ZINC000058581144 HH Annotated Reactive CC(C)CN(NC(=O)c1csc(-c2ccccc2)n1)c1nc(C#N)ncc1Cl ZINC000058581382 HH Annotated Reactive N#Cc1ccc(CCCC(=O)N2CCc3c(Cl)c(O)c(O)c(Cl)c3C2)nc1 ZINC000058581662 HH Annotated Mild CC(C)(C)OC(=O)NN(CCC1CCCC1)c1nc(C#N)ncc1Br ZINC000058581669 HH Annotated Reactive COc1cc(/C=C2\NC(=N)N([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058582172 HH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C/C(=N/O)c1ccc(OC)cc1 ZINC000058582549 HH Annotated Mild CN(c1ccccc1Cl)S(=O)(=O)c1ccc(NC(=O)c2nccs2)cc1 ZINC000058583568 HH Annotated Anodyne C=CCOc1cc2occ(-c3cc(OC)c4c(c3OC)OCO4)c(=O)c2cc1OC ZINC000058590488 HH Annotated Mild CCN(c1ccc(C(=O)O)cn1)c1ccc2c(C(F)(F)F)cc(=O)n(CC)c2n1 ZINC000058590611 HH Annotated Anodyne COc1cc(/C=C2\NC(=N)N([C@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058591601 HH Annotated Anodyne COc1ccc(CCCC(=O)N2CCc3c(Cl)c(O)c(O)c(Cl)c3C2)nc1 ZINC000058592831 HH Annotated Clean CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000058598851 HH Annotated Anodyne COc1ccc(CON=C2c3cccc(OC)c3C(=O)c3c(OC)cccc32)cc1O ZINC000058603575 HH Annotated Mild Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc(C)cc2)C2C(=N)N(C)C(=O)N(C)C2=N)cc1 ZINC000058603791 HH Annotated Anodyne CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@H]12 ZINC000058608415 HH Annotated Anodyne COC1=C[C@H]2CC[C@@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@@H]2C=C1 ZINC000058608446 HH Annotated Bother O=C(Cn1nc(C2CCCCC2)c2ccccc2c1=O)NC1Cc2ccccc2C1 ZINC000058638650 HH Annotated Anodyne CCN(CC)CCCNC(=O)c1nncc2oc3c(C)c4oc(=O)cc(C)c4cc3c12 ZINC000058660768 HH Annotated Bother CC(C)(C)NC(=O)[C@@]1(CCc2ccccc2)OC(=O)[C@H](CCc2ccccc2)C1=O ZINC000058689556 HH Annotated Anodyne CC1=C(c2ccc3nc(C4(c5ccccc5)CCC(=O)CC4)[nH]c3c2)NNC(=O)C1 ZINC000586877872 HH Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586880754 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3/C=C\C(=O)O)nc2c1 ZINC000586881490 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3/C=C/C(=O)O)nc2c1 ZINC000586881494 HH Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586881512 HH Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000586882091 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccccc3C(=O)O)nc2c1 ZINC000586882469 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccccc3C(=O)O)nc2c1 ZINC000586882470 HH Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C3CCC3)nc1-2 ZINC000586884591 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586886178 HH Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(I)cnc(Cl)c3[nH]1)C2 ZINC000586886179 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586886182 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586886183 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586886184 HH Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c(I)cnc(Cl)c3[nH]1)C2 ZINC000586886185 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586891289 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586891294 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586891295 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2c1 ZINC000586891296 HH Annotated Anodyne OCC12CCC(c3nc4c(I)cnc(Cl)c4[nH]3)(CC1)CC2 ZINC000586895506 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 ZINC000586896303 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2c1 ZINC000586902609 HH Annotated Anodyne O[C@@H]1C[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc21 ZINC000586902693 HH Annotated Anodyne O[C@H]1C[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc21 ZINC000586902696 HH Annotated Anodyne O[C@@H]1C[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc21 ZINC000586902697 HH Annotated Anodyne O[C@H]1C[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc21 ZINC000586902698 HH Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)oc12 ZINC000586903321 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2c1 ZINC000586904142 HH Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4ncc(I)cc4[nH]3)oc12 ZINC000586904180 HH Annotated Anodyne CCc1oc2ccccc2c1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586904393 HH Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(C5=C(C)CC(=O)NN5)ccc4[nH]3)oc12 ZINC000586904564 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2c1 ZINC000586904642 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2c1 ZINC000586904643 HH Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586904890 HH Annotated Anodyne O=C1O/C(=C/c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc21 ZINC000586906528 HH Annotated Anodyne O=C1O/C(=C\c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc21 ZINC000586906530 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H]3CCc4occc4C3=O)nc2c1 ZINC000586907317 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2c1 ZINC000586907322 HH Annotated Anodyne CS(=O)(=O)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586908973 HH Annotated Mild CS(=O)(=O)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586908980 HH Annotated Mild COC(=O)c1cc(Br)c2nc(C3=Cc4cccc(O)c4OC3)[nH]c2c1 ZINC000586909251 HH Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586910081 HH Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586910101 HH Annotated Anodyne Brc1c[nH]c2nc(CCCCCC#CCO[C@@H]3CCCCO3)nc-2n1 ZINC000586910141 HH Annotated Mild Brc1c[nH]c2nc(CCCCCC#CCO[C@H]3CCCCO3)nc-2n1 ZINC000586910142 HH Annotated Mild CN1CCN(c2ccc3nc(CCCCCC#CCO[C@H]4CCCCO4)[nH]c3c2)CC1 ZINC000586910970 HH Annotated Mild CN1CCN(c2ccc3nc(CCCCCC#CCO[C@@H]4CCCCO4)[nH]c3c2)CC1 ZINC000586910971 HH Annotated Mild Brc1cc2[nH]c(C[C@H]3COCCO3)nc2cc1OCc1ccccc1 ZINC000586911251 HH Annotated Anodyne Brc1cc2[nH]c(C[C@@H]3COCCO3)nc2cc1OCc1ccccc1 ZINC000586911266 HH Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3CCOC3)[nH]c2c1 ZINC000586911303 HH Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3CCOC3)[nH]c2c1 ZINC000586911306 HH Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C[C@@H]3COCCO3)[nH]c12 ZINC000586911435 HH Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C[C@H]3COCCO3)[nH]c12 ZINC000586911436 HH Annotated Anodyne OC1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCOCC1 ZINC000586912465 HH Annotated Anodyne Oc1ccc(C2(c3nc4ccc(I)cc4[nH]3)CCOCC2)cc1 ZINC000586913079 HH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](O)C5CCOCC5)[nH]c4c3)o2)cc1 ZINC000586913173 HH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](O)C5CCOCC5)[nH]c4c3)o2)cc1 ZINC000586913174 HH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586914082 HH Annotated Anodyne Oc1ccc(C2(c3nc4cccc(I)c4[nH]3)CCOCC2)cc1 ZINC000586914133 HH Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(O)cc(-c5ccc6c(c5)OCO6)c4)nc3cc2N1 ZINC000586914571 HH Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3CC4(COC4)C3)[nH]c2c1 ZINC000586914746 HH Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000586915250 HH Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3CC4(COC4)C3)[nH]c2c1 ZINC000586916019 HH Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(C(=O)O)c(F)cc4[nH]3)c(=O)oc2c1C ZINC000586917402 HH Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(C(=O)N(C)C)cc4[nH]3)c(=O)oc2c1C ZINC000586917538 HH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H](C)CCO4)[nH]c3c2)cc1 ZINC000586917866 HH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586918118 HH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586918119 HH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586918122 HH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586918124 HH Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(N)ncnc4[nH]3)c(=O)oc2c1C ZINC000586918219 HH Annotated Anodyne COC(=O)c1cccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c12 ZINC000586918242 HH Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cnnc(O)c4[nH]3)c(=O)oc2c1C ZINC000586918324 HH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586918388 HH Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586918389 HH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586918390 HH Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586918392 HH Annotated Anodyne COC(=O)c1ccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2c1 ZINC000586918596 HH Annotated Anodyne Brc1cnc(Br)c2[nH]c([C@@H]3COc4ccccc4O3)nc12 ZINC000586918606 HH Annotated Anodyne O=c1ccc2cc(-c3nc4c(Cl)ncc(I)c4[nH]3)ccc2o1 ZINC000586918739 HH Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc5c(cc4[nH]3)OCCO5)c(=O)oc2c1C ZINC000586918814 HH Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc([C@@H](N)N=O)cc4[nH]3)c(=O)oc2c1C ZINC000586918842 HH Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc([C@H](N)N=O)cc4[nH]3)c(=O)oc2c1C ZINC000586918845 HH Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cnc(C(F)(F)F)[nH]c-4n3)c(=O)oc2c1C ZINC000586918861 HH Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(O)ncnc4[nH]3)c(=O)oc2c1C ZINC000586919020 HH Annotated Anodyne Clc1ncc(I)c2nc([C@@H]3COc4ccccc4O3)[nH]c12 ZINC000586919130 HH Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(-n5cnnn5)cc4[nH]3)ccc12 ZINC000586919173 HH Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc5nc(O)[nH]c5cc4[nH]3)c(=O)oc2c1C ZINC000586919200 HH Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(F)cc(C(=O)O)c4[nH]3)c(=O)oc2c1C ZINC000586919280 HH Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc5c(cc4[nH]3)NC(=O)CC5)c(=O)oc2c1C ZINC000586919311 HH Annotated Anodyne CSc1sc(-c2nc3ccnc(O)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919549 HH Annotated Anodyne Cc1cc(Br)cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586919758 HH Annotated Bother Cc1cc(Br)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000586919812 HH Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586919891 HH Annotated Anodyne CSc1sc(-c2nc3cc(N)ncc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919958 HH Annotated Anodyne O=S(=O)(CCc1nc2ccc(Br)c(F)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920023 HH Annotated Anodyne CSc1sc(-c2nc3c(N)ccnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920067 HH Annotated Anodyne O=S(=O)(CCc1nc2ccc(F)c(Br)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920148 HH Annotated Anodyne Nc1ccc(Oc2ccc3nc(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1 ZINC000586920174 HH Annotated Clean Cc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000586920227 HH Annotated Bother O=S(=O)(CCc1nc2cc(F)cc(Br)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920311 HH Annotated Anodyne O=S(=O)(CCc1nc2cccc(Br)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920339 HH Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586920390 HH Annotated Bother O=S(=O)(CCc1nc2cc(Br)c(F)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920488 HH Annotated Anodyne Cc1c(Br)ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586920517 HH Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586920524 HH Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586920577 HH Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586920597 HH Annotated Bother Cc1c(Br)cnc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc12 ZINC000586920629 HH Annotated Anodyne O=S(=O)(CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920633 HH Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000586920637 HH Annotated Bother Cc1nc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2cc1Br ZINC000586920642 HH Annotated Anodyne O=[N+]([O-])c1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1Cl ZINC000586920660 HH Annotated Bother O=S(=O)(CCc1nc2ccc(Br)c(O)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920786 HH Annotated Anodyne CSc1sc(-c2nc3ccnc(N)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920793 HH Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000586920799 HH Annotated Bother O=S(=O)(CCc1nc2ccc(Br)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920818 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2c1 ZINC000586920830 HH Annotated Anodyne N#Cc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1C(F)(F)F ZINC000586920857 HH Annotated Mild Cc1c(Br)cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1C ZINC000586920858 HH Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586920891 HH Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000586920893 HH Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1 ZINC000586921044 HH Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586921070 HH Annotated Anodyne COC(=O)c1cccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586921085 HH Annotated Anodyne O=S(=O)(CCc1nc2cc(Br)cc(F)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921116 HH Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586921122 HH Annotated Anodyne O=S(=O)(CCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921140 HH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586921184 HH Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586921185 HH Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000586921522 HH Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586921546 HH Annotated Bother CCS(=O)(=O)c1cccc(Cc2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000586921582 HH Annotated Mild O=S(=O)(Cc1ccccc1-c1nc2c(S)nc(S)nc2[nH]1)c1ccccc1 ZINC000586921757 HH Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000586921820 HH Annotated Anodyne O=C1COc2cc3[nH]c(-c4ccccc4CS(=O)(=O)c4ccccc4)nc3cc2N1 ZINC000586921871 HH Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000586922025 HH Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000586922326 HH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)o1 ZINC000586922570 HH Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cccc(I)c2[nH]1 ZINC000586922596 HH Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586922704 HH Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586922714 HH Annotated Clean CCS(=O)(=O)c1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586922836 HH Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000586922845 HH Annotated Bother CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000586923020 HH Annotated Bother Cn1nccc1CS(=O)(=O)Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586923292 HH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(F)c(C)c4[nH]3)c2)o1 ZINC000586923481 HH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cnc5ccccc5c4[nH]3)c2)o1 ZINC000586923496 HH Annotated Anodyne C=CCc1cccc2nc(-c3cccc(S(=O)(=O)Cc4nnc(CC)o4)c3)[nH]c12 ZINC000586923500 HH Annotated Mild CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(C)cnc(Cl)c4[nH]3)c2)o1 ZINC000586923526 HH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C)cc(F)c4[nH]3)c2)o1 ZINC000586923527 HH Annotated Anodyne CS(=O)(=O)/C=C/c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586923540 HH Annotated Anodyne CS(=O)(=O)/C=C\c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586923541 HH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)o1 ZINC000586923710 HH Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)o1 ZINC000586923815 HH Annotated Anodyne O=S(=O)(Cc1nc2c(Br)ccc(Br)c2[nH]1)C1CCCC1 ZINC000586923948 HH Annotated Anodyne O=S(=O)(/C=C/c1nc2ccc(I)cc2[nH]1)c1ccccc1 ZINC000586923982 HH Annotated Anodyne O=S(=O)(/C=C\c1nc2ccc(I)cc2[nH]1)c1ccccc1 ZINC000586923983 HH Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CS(=O)(=O)C4CCCC4)[nH]c3c2)cc1 ZINC000586924226 HH Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c21 ZINC000586924270 HH Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c21 ZINC000586924271 HH Annotated Clean COc1cc(Cc2nc3ccc(SC)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924297 HH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586924364 HH Annotated Unstable CCCOc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Br ZINC000586924392 HH Annotated Anodyne CC(C)Oc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Br ZINC000586924407 HH Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924508 HH Annotated Bother CS(=O)(=O)c1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924565 HH Annotated Bother COc1cc(Cc2nc3cnc4ccccc4c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924630 HH Annotated Unstable C=CCc1cccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c12 ZINC000586924669 HH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586924841 HH Annotated Unstable COc1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cc1F ZINC000586924965 HH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586924981 HH Annotated Unstable COc1cc(OC)c2[nH]c(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)nc2c1 ZINC000586925035 HH Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000586925045 HH Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925082 HH Annotated Bother CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586925084 HH Annotated Anodyne O=S(=O)(Cc1nc2cc(Br)c(Br)cc2[nH]1)C1CCCC1 ZINC000586925098 HH Annotated Anodyne COc1cc(Cc2nc3ccc4c(c3[nH]2)CCCC4)cc(S(=O)(=O)Cl)c1OC ZINC000586925114 HH Annotated Unstable O=S(=O)(/C=C\c1nc2cccc(I)c2[nH]1)c1ccccc1 ZINC000586925117 HH Annotated Anodyne O=S(=O)(/C=C/c1nc2cccc(I)c2[nH]1)c1ccccc1 ZINC000586925119 HH Annotated Anodyne COc1cc(Cc2nc3cc(Cl)cc(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925143 HH Annotated Unstable CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(S(C)(=O)=O)c3)nc2c1 ZINC000586925240 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc12 ZINC000586925292 HH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586925341 HH Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925344 HH Annotated Bother COC(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2n1 ZINC000586925347 HH Annotated Unstable COc1cc(Cc2nc3cc(Cl)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925412 HH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586925428 HH Annotated Unstable COc1cc(Cc2nc3ccc4ncccc4c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925456 HH Annotated Unstable COc1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cc1OC ZINC000586925492 HH Annotated Unstable COc1cc(Cc2nc3ccc(Cl)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925507 HH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586925509 HH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586925530 HH Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586925577 HH Annotated Anodyne COC(=O)c1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cn1 ZINC000586925626 HH Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(CCO)cc3[nH]2)c1Cl ZINC000586925644 HH Annotated Unstable COc1cc(Cc2nc3ccc(OC(C)C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925721 HH Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925747 HH Annotated Mild O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccnc(O)c3[nH]2)c1 ZINC000586925755 HH Annotated Unstable O=[N+]([O-])c1cncc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 ZINC000586925792 HH Annotated Unstable COc1cc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925812 HH Annotated Unstable Cc1cnc(Cl)c2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc12 ZINC000586925853 HH Annotated Bother COc1cc(Cc2nc3cccc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925903 HH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586925910 HH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586925913 HH Annotated Unstable COc1cc(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925952 HH Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1Cl ZINC000586926107 HH Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3nc(Br)c[nH]c-3n2)c1Cl ZINC000586926323 HH Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000586926355 HH Annotated Mild CS(=O)(=O)c1cc(-c2nc3cnc4ccccc4c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926388 HH Annotated Bother CCc1ccc(-c2nc3c(Br)ccnc3[nH]2)cc1S(=O)(=O)Cl ZINC000586926418 HH Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926427 HH Annotated Bother CCc1ccc(-c2nc3cc(Br)ncc3[nH]2)cc1S(=O)(=O)Cl ZINC000586926517 HH Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1Cl ZINC000586926562 HH Annotated Unstable CN(C)CCOc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 ZINC000586926804 HH Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586926945 HH Annotated Anodyne Cc1cc(-c2nc3c(O)c(Br)ccc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586926981 HH Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cccnc3[nH]2)c1 ZINC000586927014 HH Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cncc(Br)c3[nH]2)cc1Cl ZINC000586927106 HH Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3ccnc(Br)c3[nH]2)cc1Cl ZINC000586927112 HH Annotated Unstable COC(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1OC ZINC000586927129 HH Annotated Unstable O=[N+]([O-])c1c(Br)ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586927165 HH Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586927169 HH Annotated Bother CS(=O)(=O)c1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927190 HH Annotated Bother CS(=O)(=O)c1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927223 HH Annotated Bother CCc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927249 HH Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cnccc3[nH]2)c1 ZINC000586927343 HH Annotated Unstable Nc1ccnc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc12 ZINC000586927361 HH Annotated Unstable CCc1ccc(-c2nc3ccnc(Br)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927372 HH Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3ccnc(Br)c3[nH]2)ccc1Cl ZINC000586927382 HH Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1Cl ZINC000586927385 HH Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(Br)cnc3[nH]2)ccc1Cl ZINC000586927482 HH Annotated Unstable CCc1ccc(-c2nc3cncc(Br)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927487 HH Annotated Unstable O=[N+]([O-])c1cnc2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2c1 ZINC000586927517 HH Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3ccc(Br)nc3[nH]2)ccc1Cl ZINC000586927547 HH Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cncc(Br)c3[nH]2)ccc1Cl ZINC000586927690 HH Annotated Unstable Cc1cc(-c2nc3nc(C)c(Br)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927691 HH Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927694 HH Annotated Bother COC(=O)c1cc(Br)c2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2c1 ZINC000586927699 HH Annotated Anodyne CCc1ccc(-c2nc3ccc(Br)nc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927706 HH Annotated Unstable COC(=O)c1cc(Br)c2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2c1 ZINC000586927709 HH Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2n1 ZINC000586927755 HH Annotated Bother CS(=O)(=O)c1cc(-c2nc3ccc4ncccc4c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927884 HH Annotated Bother CS(=O)(=O)c1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927890 HH Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586927924 HH Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586927925 HH Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586927999 HH Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3ccc(Br)nc3[nH]2)cc1Cl ZINC000586928020 HH Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3c(Br)ccnc3[nH]2)ccc1Cl ZINC000586928067 HH Annotated Unstable Cc1cc(-c2nc3c(Br)ncc(F)c3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928069 HH Annotated Unstable CCc1ccc(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586928109 HH Annotated Unstable COc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Cl ZINC000586928242 HH Annotated Bother O=S(=O)(Cl)c1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1Cl ZINC000586928254 HH Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3c(Br)ccnc3[nH]2)cc1Cl ZINC000586928258 HH Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586928297 HH Annotated Unstable COC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1OC ZINC000586928350 HH Annotated Unstable CN(C)CCOc1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 ZINC000586928392 HH Annotated Unstable Cc1cc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928395 HH Annotated Unstable CN(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928681 HH Annotated Anodyne CN(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928792 HH Annotated Anodyne CN(Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928951 HH Annotated Anodyne CN(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928989 HH Annotated Anodyne CN(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929021 HH Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586929147 HH Annotated Anodyne CN(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929200 HH Annotated Anodyne CN(Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929248 HH Annotated Bother CN(Cc1nc2ccc(Br)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929292 HH Annotated Anodyne CN(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929510 HH Annotated Anodyne CN(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929629 HH Annotated Anodyne COc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Cl ZINC000586929631 HH Annotated Anodyne CN(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929741 HH Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000586929765 HH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586929963 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)c1 ZINC000586929977 HH Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)cc1 ZINC000586930180 HH Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000586930200 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccnc3[nH]2)c1 ZINC000586930248 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Br)c(C)nc3[nH]2)c1 ZINC000586930294 HH Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586930464 HH Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cc1 ZINC000586930479 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000586930540 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cnccc3[nH]2)c1 ZINC000586930548 HH Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586930785 HH Annotated Anodyne COc1cncc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c12 ZINC000586930824 HH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586930900 HH Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cc1 ZINC000586930902 HH Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586930995 HH Annotated Anodyne COc1nccc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c12 ZINC000586931103 HH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)o1 ZINC000586931120 HH Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)cc1 ZINC000586931502 HH Annotated Bother Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)cc1 ZINC000586931507 HH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000586931869 HH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586931933 HH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000586932048 HH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(C)C ZINC000586932102 HH Annotated Mild CCCCS(=O)(=O)N[C@@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(C)C ZINC000586932103 HH Annotated Mild CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)C(C)C ZINC000586932176 HH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(Br)c(F)c2[nH]1)C(C)C ZINC000586932179 HH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)C(C)C ZINC000586932198 HH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(F)cc(Br)c2[nH]1)C(C)C ZINC000586932199 HH Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000586932279 HH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)C(C)C ZINC000586932844 HH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)C(C)C ZINC000586932845 HH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)c(F)cc2[nH]1)C(C)C ZINC000586932858 HH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)C(C)C ZINC000586932859 HH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(C)C ZINC000586932870 HH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(C)C ZINC000586932871 HH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)C(C)C ZINC000586932895 HH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)C(C)C ZINC000586932896 HH Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)C(C)C ZINC000586933616 HH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(F)c(Br)c2[nH]1)C(C)C ZINC000586933617 HH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C#N)cc(Br)c2[nH]1)C(C)C ZINC000586933731 HH Annotated Mild CCCCS(=O)(=O)N[C@@H](c1nc2cc(C#N)cc(Br)c2[nH]1)C(C)C ZINC000586933744 HH Annotated Mild CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)C(C)C ZINC000586933881 HH Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)cc(F)c2[nH]1)C(C)C ZINC000586933883 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586934541 HH Annotated Mild CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586934546 HH Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(O)cc2[nH]1 ZINC000586934590 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(O)cc2[nH]1 ZINC000586934597 HH Annotated Anodyne COc1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000586934654 HH Annotated Anodyne COc1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c1 ZINC000586934657 HH Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)c1 ZINC000586934952 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)nc(C)cc2[nH]1 ZINC000586935048 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)nc(C)cc2[nH]1 ZINC000586935056 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586935418 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586935422 HH Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)c1 ZINC000586935526 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586935849 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586935852 HH Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C)c(Br)cc3[nH]2)cc1 ZINC000586935961 HH Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C)c(Br)cc3[nH]2)cc1 ZINC000586935962 HH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586936112 HH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586936113 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C#N)c2[nH]1 ZINC000586936309 HH Annotated Mild CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C#N)c2[nH]1 ZINC000586936312 HH Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)cnc2[nH]1 ZINC000586936425 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)cnc2[nH]1 ZINC000586936429 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)ccnc2[nH]1 ZINC000586936443 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)ccnc2[nH]1 ZINC000586936444 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586936472 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586936473 HH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586936582 HH Annotated Mild CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586936584 HH Annotated Mild CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586936586 HH Annotated Bother CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586936588 HH Annotated Bother COC(=O)c1cccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 ZINC000586936747 HH Annotated Anodyne COC(=O)c1cccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 ZINC000586936749 HH Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(Cl)cc3[nH]2)c1 ZINC000586936764 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586936921 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586936924 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(O)c2[nH]1 ZINC000586936985 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(O)c2[nH]1 ZINC000586936987 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586937037 HH Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1 ZINC000586937050 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586937052 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncc(C)c2[nH]1 ZINC000586937093 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncc(C)c2[nH]1 ZINC000586937095 HH Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c1 ZINC000586937274 HH Annotated Anodyne COc1cccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c12 ZINC000586937623 HH Annotated Anodyne COc1cccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c12 ZINC000586937624 HH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586937684 HH Annotated Mild CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586937688 HH Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C)nc2[nH]1 ZINC000586937693 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C)nc2[nH]1 ZINC000586937695 HH Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1C ZINC000586937891 HH Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586937913 HH Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586937914 HH Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)nccc2[nH]1 ZINC000586937981 HH Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(C)nccc2[nH]1 ZINC000586937984 HH Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C#N)cc2[nH]1 ZINC000586938205 HH Annotated Mild CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C#N)cc2[nH]1 ZINC000586938207 HH Annotated Mild CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 ZINC000586939219 HH Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1 ZINC000586939220 HH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586939328 HH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586939329 HH Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2c1 ZINC000586939332 HH Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2c1 ZINC000586939334 HH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586939539 HH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586939540 HH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586939571 HH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586939573 HH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586939782 HH Annotated Bother CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586939783 HH Annotated Bother CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586939839 HH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586939840 HH Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586939841 HH Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586939842 HH Annotated Anodyne COc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1OC ZINC000586939967 HH Annotated Anodyne COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1OC ZINC000586939968 HH Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)cc(Br)cc3[nH]2)c1 ZINC000586940275 HH Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586940624 HH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586940626 HH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000586940685 HH Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000586940687 HH Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000586940741 HH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000586940742 HH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000586940876 HH Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000586940877 HH Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000586940917 HH Annotated Mild Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000586940918 HH Annotated Mild Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000586940962 HH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000586940963 HH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586941151 HH Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586941152 HH Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(Br)c3[nH]2)cc1 ZINC000586941429 HH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(Br)c3[nH]2)cc1 ZINC000586941430 HH Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586941465 HH Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586941467 HH Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000586941655 HH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000586941656 HH Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000586941816 HH Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000586941819 HH Annotated Anodyne O=S(=O)(NCCc1nc2cnc3ccccc3c2[nH]1)c1c(Cl)cccc1Cl ZINC000586941922 HH Annotated Anodyne Cc1cc(F)c2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2c1 ZINC000586941991 HH Annotated Anodyne CSc1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586942155 HH Annotated Anodyne O=S(=O)(NCCc1nc2ccc(F)c(F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942200 HH Annotated Anodyne Cc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1Cl ZINC000586942569 HH Annotated Anodyne O=S(=O)(NCc1nc2cccc(Cl)c2[nH]1)c1ccc(Br)s1 ZINC000586942613 HH Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)c(F)c(F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942641 HH Annotated Anodyne C=CCc1cccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586942719 HH Annotated Mild O=S(=O)(NCc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)s1 ZINC000586942741 HH Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)s1 ZINC000586942940 HH Annotated Anodyne Cc1cc(Cl)cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586942945 HH Annotated Anodyne Cc1c(Cl)ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586943149 HH Annotated Anodyne O=S(=O)(NCCc1nc2ccc3ncccc3c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943176 HH Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)cc(F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943369 HH Annotated Anodyne Cc1c(F)ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586943380 HH Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)c(F)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943402 HH Annotated Anodyne O=S(=O)(NCCc1nc2c(F)cnc(Cl)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943469 HH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc12 ZINC000586943507 HH Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ccnc(C)c4[nH]3)cc2)cc1 ZINC000586943997 HH Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(C)ccc4[nH]3)cc2)cc1 ZINC000586944041 HH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586944303 HH Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586944791 HH Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ncc(C)cc4[nH]3)cc2)cc1 ZINC000586944881 HH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586944907 HH Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(C)cncc4[nH]3)cc2)cc1 ZINC000586944942 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586945019 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586945020 HH Annotated Anodyne N#Cc1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586945054 HH Annotated Mild Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586945139 HH Annotated Anodyne COc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1F ZINC000586945179 HH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000586945189 HH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586945197 HH Annotated Clean CC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586945223 HH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000586945225 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000586945237 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000586945240 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000586945256 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000586945259 HH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586945282 HH Annotated Anodyne Cc1cc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2cc1Cl ZINC000586945311 HH Annotated Anodyne Cc1cc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2cc1Cl ZINC000586945313 HH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000586945315 HH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586945318 HH Annotated Anodyne CSc1ccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2c1 ZINC000586945390 HH Annotated Anodyne CSc1ccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2c1 ZINC000586945393 HH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586945394 HH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000586945472 HH Annotated Anodyne O=C(O)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586945521 HH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2c1 ZINC000586945594 HH Annotated Mild N#Cc1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586945677 HH Annotated Mild COc1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586945746 HH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000586945766 HH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000586945774 HH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586945877 HH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586945942 HH Annotated Anodyne COc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1C ZINC000586945984 HH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000586946098 HH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000586946114 HH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc12 ZINC000586946137 HH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586946148 HH Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586946328 HH Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586946389 HH Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000586946391 HH Annotated Anodyne Cc1cc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2cc1[N+](=O)[O-] ZINC000586946400 HH Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000586946445 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000586946446 HH Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586946536 HH Annotated Bother O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586946625 HH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586946758 HH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586946835 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc(Cl)c2[nH]1 ZINC000586946848 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc(Cl)c2[nH]1 ZINC000586946850 HH Annotated Anodyne COc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1F ZINC000586946906 HH Annotated Anodyne Cc1cc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2c(C)n1 ZINC000586946913 HH Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586946974 HH Annotated Bother CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000586947060 HH Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)n(C)c1 ZINC000586947075 HH Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 ZINC000586947124 HH Annotated Clean O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cncc(Cl)c2[nH]1 ZINC000586947166 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000586947223 HH Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000586947224 HH Annotated Anodyne C=CCc1cccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c12 ZINC000586947240 HH Annotated Mild C=CCc1cccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c12 ZINC000586947241 HH Annotated Mild Cc1nc2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c2cc1Br ZINC000586947709 HH Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000586947983 HH Annotated Clean Cc1c(Br)cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1C ZINC000586947987 HH Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586948148 HH Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(O)c2[nH]1 ZINC000586948341 HH Annotated Bother CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 ZINC000586948687 HH Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000586948847 HH Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000586948929 HH Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000586949012 HH Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(O)cc2[nH]1 ZINC000586949404 HH Annotated Bother CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586949434 HH Annotated Clean Cc1c(Br)cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1C ZINC000586949806 HH Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586949816 HH Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586949830 HH Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586950025 HH Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586950079 HH Annotated Bother Cc1cnc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586950121 HH Annotated Anodyne O=S(=O)(Cc1nc2ccc(Cl)nc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950134 HH Annotated Anodyne Cc1cncc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586950180 HH Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586950256 HH Annotated Anodyne COc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1C ZINC000586950303 HH Annotated Anodyne O=S(=O)(Cc1nc2cncc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950308 HH Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 ZINC000586950365 HH Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586950492 HH Annotated Anodyne O=S(=O)(Cc1nc2cc(F)c(F)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950500 HH Annotated Anodyne O=S(=O)(Cc1nc2c(F)cnc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950526 HH Annotated Anodyne O=S(=O)(Cc1nc2cc(F)c(F)c(F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950635 HH Annotated Anodyne COc1cccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586950670 HH Annotated Anodyne Cc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1F ZINC000586950677 HH Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586950726 HH Annotated Anodyne O=S(=O)(Cc1nc2ccc(F)c(F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950885 HH Annotated Anodyne COc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1F ZINC000586950888 HH Annotated Anodyne CC(=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586950894 HH Annotated Anodyne O=S(=O)(Cc1nc2cc(Cl)ncc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950906 HH Annotated Anodyne Cc1c(F)ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586950942 HH Annotated Anodyne O=S(=O)(Cc1nc2cc(F)cc(F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950964 HH Annotated Anodyne Cc1cc(F)c2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2c1 ZINC000586950998 HH Annotated Anodyne CCc1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951150 HH Annotated Anodyne Cc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1F ZINC000586951161 HH Annotated Anodyne Cc1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951165 HH Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cccc(F)c3[nH]2)c1 ZINC000586951191 HH Annotated Anodyne O=S(=O)(Cc1nc2ccnc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951248 HH Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 ZINC000586951286 HH Annotated Anodyne O=S(=O)(Cc1nc2c(Cl)ccnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951517 HH Annotated Anodyne O=S(=O)(Cc1nc2cc(Cl)cnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951530 HH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc12 ZINC000586951540 HH Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2c1 ZINC000586951602 HH Annotated Anodyne Cc1cccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951606 HH Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586951791 HH Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C)c(Br)cc3[nH]2)CC1 ZINC000586951957 HH Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 ZINC000586951996 HH Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 ZINC000586952228 HH Annotated Bother Cc1c(Br)cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1C ZINC000586952231 HH Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 ZINC000586952237 HH Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 ZINC000586952311 HH Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 ZINC000586952370 HH Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C)cc(Br)c3[nH]2)CC1 ZINC000586952412 HH Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 ZINC000586952416 HH Annotated Bother Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586952430 HH Annotated Anodyne Cc1c(Br)ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 ZINC000586952464 HH Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Br)cc(C)c3[nH]2)CC1 ZINC000586952833 HH Annotated Anodyne Cc1cc(Br)cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 ZINC000586953015 HH Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC1 ZINC000586953225 HH Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)cc(Cl)c3[nH]2)CC1 ZINC000586953301 HH Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC1 ZINC000586953328 HH Annotated Clean CCCS(=O)(=O)N1CCC(c2nc3cc(Br)c(C)c(C)c3[nH]2)CC1 ZINC000586953337 HH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586953341 HH Annotated Anodyne Cc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1Br ZINC000586953577 HH Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(Cl)cc(Br)c3[nH]2)CC1 ZINC000586953580 HH Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(Br)c(C)c3[nH]2)CC1 ZINC000586953610 HH Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586953715 HH Annotated Anodyne Cc1cc(Br)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2c1 ZINC000586953755 HH Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 ZINC000586953780 HH Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC1 ZINC000586953786 HH Annotated Clean O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1F ZINC000586953847 HH Annotated Bother Cc1cc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2cc1[N+](=O)[O-] ZINC000586953969 HH Annotated Bother Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586954005 HH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc12 ZINC000586954043 HH Annotated Anodyne Cc1ccnc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc12 ZINC000586954235 HH Annotated Anodyne COc1nccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 ZINC000586954259 HH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(Cl)ncnc4[nH]3)CC2)cc1 ZINC000586954390 HH Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2n1 ZINC000586954404 HH Annotated Anodyne COc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2n1 ZINC000586954460 HH Annotated Anodyne Cc1cncc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 ZINC000586954474 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc5ncccc5c4[nH]3)CC2)cc1 ZINC000586954523 HH Annotated Anodyne COc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2cn1 ZINC000586954669 HH Annotated Anodyne Cc1cnc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 ZINC000586954731 HH Annotated Anodyne Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2n1 ZINC000586954784 HH Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 ZINC000586954812 HH Annotated Reactive CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4nc(Cl)c[nH]c-4n3)CC2)cc1 ZINC000586954896 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1)N1CCC1 ZINC000586954942 HH Annotated Anodyne COc1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cn1 ZINC000586955078 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)CC2)cc1 ZINC000586955195 HH Annotated Bother COc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c2cc1F ZINC000586955199 HH Annotated Anodyne COc1nccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c12 ZINC000586955225 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cnc5ccccc5c4[nH]3)CC2)cc1 ZINC000586955391 HH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(CO)cc4[nH]3)CC2)cc1 ZINC000586955556 HH Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cnc(Cl)[nH]c-4n3)CC2)cc1 ZINC000586955616 HH Annotated Anodyne COc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2n1 ZINC000586955784 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)ncc4[nH]3)CC2)cc1 ZINC000586955861 HH Annotated Anodyne COc1cncc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c12 ZINC000586955885 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1)N1CCC1 ZINC000586956119 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1)N1CCC1 ZINC000586956167 HH Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1)N1CCC1 ZINC000586956198 HH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(C)ccnc2[nH]1 ZINC000586956322 HH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(O)cc2[nH]1 ZINC000586956330 HH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cncc(C)c2[nH]1 ZINC000586956345 HH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(F)cnc2[nH]1 ZINC000586956411 HH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(O)c2[nH]1 ZINC000586956441 HH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(C)nccc2[nH]1 ZINC000586956581 HH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C)cnc2[nH]1 ZINC000586956738 HH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(C)nc2[nH]1 ZINC000586956837 HH Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccccc2[nH]1 ZINC000586956842 HH Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586957564 HH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586957565 HH Annotated Anodyne O=[S@@](CCCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(Br)cc1 ZINC000586957671 HH Annotated Anodyne O=[S@](CCCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(Br)cc1 ZINC000586957672 HH Annotated Anodyne COc1nccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957697 HH Annotated Anodyne COc1nccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957699 HH Annotated Anodyne COc1nccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957700 HH Annotated Anodyne COc1nccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586957701 HH Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586957891 HH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586957892 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586958088 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586958091 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586958092 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)cnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586958093 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSC(C)(C)C(=O)O)nc2c1 ZINC000586958398 HH Annotated Anodyne CC(C)(SCc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)O ZINC000586958400 HH Annotated Anodyne COC(=O)c1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586958548 HH Annotated Anodyne COC(=O)c1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586958549 HH Annotated Anodyne N#Cc1nc(Cl)cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586958702 HH Annotated Mild N#Cc1nc(Cl)cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586958707 HH Annotated Mild O=[S@](CCCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(Br)cc1 ZINC000586959082 HH Annotated Anodyne O=[S@@](CCCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(Br)cc1 ZINC000586959084 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C(C)(C)SCC(=O)O)nc2c1 ZINC000586959121 HH Annotated Anodyne O=[S@](Cc1nc2c(S)nc(S)nc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959161 HH Annotated Anodyne O=[S@@](Cc1nc2c(S)nc(S)nc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959165 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc12 ZINC000586959186 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc12 ZINC000586959188 HH Annotated Anodyne O=[N+]([O-])c1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586959216 HH Annotated Bother O=[N+]([O-])c1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586959218 HH Annotated Bother C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586959546 HH Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586959547 HH Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586959986 HH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586959988 HH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[S@](=O)CC5CC5)[nH]c4c3)o2)cc1 ZINC000586960168 HH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[S@@](=O)CC5CC5)[nH]c4c3)o2)cc1 ZINC000586960171 HH Annotated Anodyne O=[S@@](CCCc1nc2ccc(CCO)cc2[nH]1)c1ccc(Br)cc1 ZINC000586960311 HH Annotated Anodyne O=[S@](CCCc1nc2ccc(CCO)cc2[nH]1)c1ccc(Br)cc1 ZINC000586960312 HH Annotated Anodyne O=C(O)c1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586960325 HH Annotated Anodyne O=C(O)c1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586960327 HH Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586960367 HH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586960369 HH Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586960371 HH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586960372 HH Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000586960462 HH Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000586960463 HH Annotated Anodyne CC(C)(SCC(=O)O)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586960661 HH Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586960806 HH Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586960814 HH Annotated Anodyne O=[N+]([O-])c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586960879 HH Annotated Bother O=[N+]([O-])c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586960880 HH Annotated Bother O=[S@@](CCCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Br)cc1 ZINC000586960917 HH Annotated Anodyne O=[S@](CCCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Br)cc1 ZINC000586960920 HH Annotated Anodyne O=[S@@](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960935 HH Annotated Anodyne O=[S@](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960945 HH Annotated Anodyne COC(=O)c1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cn1 ZINC000586960953 HH Annotated Anodyne COC(=O)c1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cn1 ZINC000586960954 HH Annotated Anodyne N#Cc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1C#N ZINC000586960960 HH Annotated Mild N#Cc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1C#N ZINC000586960966 HH Annotated Mild COC(=O)c1cc2nc(C[S@](=O)CC3CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586961021 HH Annotated Anodyne COC(=O)c1cc2nc(C[S@@](=O)CC3CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586961024 HH Annotated Anodyne O=[S@@](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)CC1CC1 ZINC000586961038 HH Annotated Anodyne O=[S@](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)CC1CC1 ZINC000586961039 HH Annotated Anodyne O=[S@](CCCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Br)cc1 ZINC000586961306 HH Annotated Anodyne O=[S@@](CCCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Br)cc1 ZINC000586961309 HH Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586961554 HH Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586961557 HH Annotated Anodyne O=C1COc2cc3[nH]c(C[S@](=O)C(c4ccccc4)c4ccccc4)nc3cc2N1 ZINC000586961570 HH Annotated Anodyne O=C1COc2cc3[nH]c(C[S@@](=O)C(c4ccccc4)c4ccccc4)nc3cc2N1 ZINC000586961574 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)ncnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961624 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)ncnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961629 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)ncnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961630 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Cl)ncnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961631 HH Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586961698 HH Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586961703 HH Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586961760 HH Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586961761 HH Annotated Anodyne COc1cncc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961829 HH Annotated Anodyne COc1cncc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961833 HH Annotated Anodyne COc1cncc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961835 HH Annotated Anodyne COc1cncc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586961838 HH Annotated Anodyne COC(=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2n1 ZINC000586961840 HH Annotated Anodyne COC(=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2n1 ZINC000586961843 HH Annotated Anodyne COc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 ZINC000586961909 HH Annotated Anodyne COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 ZINC000586961910 HH Annotated Anodyne COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 ZINC000586961911 HH Annotated Anodyne COc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 ZINC000586961912 HH Annotated Anodyne COc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586962111 HH Annotated Anodyne COc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586962114 HH Annotated Anodyne COc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586962116 HH Annotated Anodyne COc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586962119 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc(Cl)[nH]c-3n2)C[C@H]2CCCC[C@@H]21 ZINC000586962263 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc(Cl)[nH]c-3n2)C[C@@H]2CCCC[C@H]21 ZINC000586962265 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc(Cl)[nH]c-3n2)C[C@@H]2CCCC[C@@H]21 ZINC000586962267 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc(Cl)[nH]c-3n2)C[C@H]2CCCC[C@H]21 ZINC000586962268 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3nc(Cl)c[nH]c-3n2)C[C@@H]2CCCC[C@H]21 ZINC000586962270 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3nc(Cl)c[nH]c-3n2)C[C@@H]2CCCC[C@@H]21 ZINC000586962272 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3nc(Cl)c[nH]c-3n2)C[C@H]2CCCC[C@@H]21 ZINC000586962273 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3nc(Cl)c[nH]c-3n2)C[C@H]2CCCC[C@H]21 ZINC000586962274 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CO)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962525 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CO)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962527 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CO)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962528 HH Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(CO)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962529 HH Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586962790 HH Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586962796 HH Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586963213 HH Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586963215 HH Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(F)cnc3[nH]2)ccc1Cl ZINC000586963296 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000586964362 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586964376 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C)c(Cl)cc2[nH]1 ZINC000586964580 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586964693 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3ccccc3C#N)[nH]c2c1 ZINC000586964895 HH Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc3ncccc3c2[nH]1 ZINC000586964953 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cnc3ccccc3c2[nH]1 ZINC000586964980 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586965029 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586965128 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586965136 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586965158 HH Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(Cl)c(C)c2[nH]1 ZINC000586965160 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000586965179 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586965196 HH Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc5c(cc4[nH]3)NC(=O)CC5)n2C)cc1 ZINC000586965288 HH Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(OCCN(C)C)cc4[nH]3)n2C)cc1 ZINC000586965388 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586965393 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)cc(C)c2[nH]1 ZINC000586965429 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586965475 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586965482 HH Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(OC(C)C)cc2[nH]1 ZINC000586965542 HH Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cnc(C(F)(F)F)[nH]c-4n3)n2C)cc1 ZINC000586965734 HH Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2c1OC ZINC000586965784 HH Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)c1 ZINC000586965939 HH Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(C(=O)N(C)C)cc4[nH]3)n2C)cc1 ZINC000586965951 HH Annotated Anodyne Oc1nc2cc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c3cc2[nH]1 ZINC000586965974 HH Annotated Anodyne O=[N+]([O-])c1cncc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586966098 HH Annotated Bother OCCc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966116 HH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586966171 HH Annotated Bother CCCOc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Br ZINC000586966181 HH Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2n1 ZINC000586966192 HH Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C)c1 ZINC000586966241 HH Annotated Anodyne CC(C)Oc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Br ZINC000586966257 HH Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)n1 ZINC000586966274 HH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586966302 HH Annotated Mild Cc1nc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2cc1Br ZINC000586966328 HH Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586966348 HH Annotated Bother O=C(O)CSc1ncccc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000586966356 HH Annotated Anodyne COC(=O)c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cn1 ZINC000586966460 HH Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(CSc3nc(-c4cccnc4)no3)nc1-2 ZINC000586966491 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 ZINC000586966515 HH Annotated Anodyne CCc1cc(O)nc(SCc2nc3cccc(I)c3[nH]2)n1 ZINC000586966537 HH Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(Br)c(F)c(F)c3[nH]2)n1 ZINC000586966548 HH Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000586966570 HH Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)n1 ZINC000586966716 HH Annotated Clean CCc1cc(O)nc(SCc2nc3c(Br)cnc(Cl)c3[nH]2)n1 ZINC000586966896 HH Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586966962 HH Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(I)cc3[nH]2)n1 ZINC000586967035 HH Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)n1 ZINC000586967072 HH Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(C)c1 ZINC000586967081 HH Annotated Anodyne Cc1c(Br)cnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 ZINC000586967215 HH Annotated Anodyne Oc1c(Br)ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967234 HH Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)n1 ZINC000586967310 HH Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)n1 ZINC000586967311 HH Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)n1 ZINC000586967333 HH Annotated Bother CCc1cc(O)nc(SCc2nc3c(Cl)c(Br)cnc3[nH]2)n1 ZINC000586967367 HH Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586967415 HH Annotated Bother Fc1cnc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 ZINC000586967416 HH Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586967427 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586967463 HH Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(F)c(F)c(Br)cc2[nH]1 ZINC000586967491 HH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccnc(O)c3[nH]2)c1C=O ZINC000586967524 HH Annotated Anodyne COC(=O)c1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2n1 ZINC000586967530 HH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(N)ccnc3[nH]2)c1C=O ZINC000586967679 HH Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586967771 HH Annotated Clean CCc1cc(O)nc(SCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)n1 ZINC000586967852 HH Annotated Bother COC(=O)c1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2cn1 ZINC000586967884 HH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(N)ncc3[nH]2)c1C=O ZINC000586967924 HH Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000586967953 HH Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccnc(N)c3[nH]2)c1C=O ZINC000586968085 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(CSc3nncn3-c3ccc(C)c(Cl)c3)nc12 ZINC000586968101 HH Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(S)nc(S)nc3[nH]2)cc1Cl ZINC000586968111 HH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnccc3[nH]2)C[C@H](C)O1 ZINC000586968167 HH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnccc3[nH]2)C[C@@H](C)O1 ZINC000586968168 HH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cnccc3[nH]2)C[C@@H](C)O1 ZINC000586968169 HH Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1Cl ZINC000586968431 HH Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccnc3[nH]2)C[C@H](C)O1 ZINC000586968589 HH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccnc3[nH]2)C[C@@H](C)O1 ZINC000586968590 HH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccnc3[nH]2)C[C@@H](C)O1 ZINC000586968592 HH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(O)c3[nH]2)C[C@@H](C)O1 ZINC000586968641 HH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(O)c3[nH]2)C[C@@H](C)O1 ZINC000586968642 HH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(O)c3[nH]2)C[C@H](C)O1 ZINC000586968644 HH Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cccc(I)c2[nH]1 ZINC000586968702 HH Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1Cl ZINC000586968857 HH Annotated Bother Cc1ccc(-n2cnnc2SCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1Cl ZINC000586968919 HH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cnc3[nH]2)C[C@@H](C)O1 ZINC000586969176 HH Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cnc3[nH]2)C[C@@H](C)O1 ZINC000586969178 HH Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cnc3[nH]2)C[C@H](C)O1 ZINC000586969179 HH Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc(I)cc2[nH]1 ZINC000586969286 HH Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586970414 HH Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586970417 HH Annotated Reactive Cc1ccc(NC(=O)CSCCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000586971012 HH Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586971278 HH Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586971279 HH Annotated Reactive COC(=O)c1cc(Br)c2[nH]c([C@@H](Br)C(C)(C)OC)nc2c1 ZINC000586971857 HH Annotated Reactive COC(=O)c1cc(Br)c2[nH]c([C@H](Br)C(C)(C)OC)nc2c1 ZINC000586971858 HH Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)cnc2[nH]1 ZINC000586971902 HH Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)cnc2[nH]1 ZINC000586971903 HH Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CBr)[nH]c2c1 ZINC000586972120 HH Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586972197 HH Annotated Bother CCOC(=O)Cc1ccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 ZINC000586972215 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1 ZINC000586972217 HH Annotated Anodyne Clc1ncc(I)c2nc(CCCCBr)[nH]c12 ZINC000586972626 HH Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586972680 HH Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586972681 HH Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cncc(Br)c2[nH]1 ZINC000586972988 HH Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cncc(Br)c2[nH]1 ZINC000586972989 HH Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)ncc2[nH]1 ZINC000586973076 HH Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)ncc2[nH]1 ZINC000586973077 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\CBr)[nH]c2c1 ZINC000586973183 HH Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/CBr)[nH]c2c1 ZINC000586973185 HH Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586973190 HH Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586973191 HH Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586973375 HH Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586973376 HH Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(Br)ccnc2[nH]1 ZINC000586973625 HH Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(Br)ccnc2[nH]1 ZINC000586973627 HH Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccnc(Br)c2[nH]1 ZINC000586973824 HH Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccnc(Br)c2[nH]1 ZINC000586973825 HH Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586973965 HH Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586973969 HH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC ZINC000586974143 HH Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC ZINC000586974147 HH Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1OC ZINC000586974207 HH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1OC ZINC000586974208 HH Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586974539 HH Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586974542 HH Annotated Anodyne COc1cc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1C ZINC000586974616 HH Annotated Anodyne COc1cc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1C ZINC000586974618 HH Annotated Anodyne COc1cc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1F ZINC000586974720 HH Annotated Anodyne COc1cc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1F ZINC000586974724 HH Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586974902 HH Annotated Bother COc1cc(Br)c([C@H](N)c2nc3ccc4ncccc4c3[nH]2)cc1OC ZINC000586975582 HH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc4ncccc4c3[nH]2)cc1OC ZINC000586975583 HH Annotated Anodyne Sc1nc(S)c2nc(COc3ccc(Cl)cc3Br)[nH]c2n1 ZINC000586975718 HH Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586975881 HH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c(F)cnc(Cl)c3[nH]2)cc1OC ZINC000586975997 HH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(F)cnc(Cl)c3[nH]2)cc1OC ZINC000586975999 HH Annotated Anodyne Clc1ccc(OCc2nc3ccc(-n4cnnn4)cc3[nH]2)c(Br)c1 ZINC000586976109 HH Annotated Anodyne O=S(=O)(O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586976376 HH Annotated Anodyne O=C1COc2cc3[nH]c(COc4ccc(Cl)cc4Br)nc3cc2N1 ZINC000586976407 HH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1OC ZINC000586976518 HH Annotated Mild COc1cc(Br)c([C@@H](N)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1OC ZINC000586976520 HH Annotated Mild COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1Br ZINC000586976638 HH Annotated Anodyne COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1Br ZINC000586976642 HH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cnc4ccccc4c3[nH]2)cc1OC ZINC000586976729 HH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cnc4ccccc4c3[nH]2)cc1OC ZINC000586976732 HH Annotated Anodyne CCOc1cc(/C=C\c2nc3c(O)nc(S)nc3[nH]2)cc(Br)c1OC ZINC000586977204 HH Annotated Anodyne CCOc1cc(/C=C/c2nc3c(O)nc(S)nc3[nH]2)cc(Br)c1OC ZINC000586977209 HH Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c(C)cnc(Cl)c3[nH]2)cc1OC ZINC000586977213 HH Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(C)cnc(Cl)c3[nH]2)cc1OC ZINC000586977215 HH Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1Br ZINC000586977341 HH Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1Br ZINC000586977343 HH Annotated Anodyne CC1=C(c2ccc3nc(Cc4ccc(Br)c(C)c4)[nH]c3c2)NNC(=O)C1 ZINC000586977519 HH Annotated Anodyne CCc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1Br ZINC000586977655 HH Annotated Anodyne CCOc1cc(/C=C\c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(Br)c1OC ZINC000586978206 HH Annotated Anodyne CCOc1cc(/C=C/c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(Br)c1OC ZINC000586978207 HH Annotated Anodyne Cc1nn(Cc2nc3ccc(Br)c(O)c3[nH]2)c(C)c1Br ZINC000586978744 HH Annotated Anodyne Cc1nn(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c(C)c1Br ZINC000586978857 HH Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(Br)c(O)c3[nH]2)c1Br ZINC000586978870 HH Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Br)c(C)nc3[nH]2)c1Br ZINC000586978935 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4ccnc(Cl)c4Br)[nH]c3c2)NNC(=O)C1 ZINC000586979035 HH Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1Br ZINC000586979095 HH Annotated Mild Cc1ncc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C)c1Br ZINC000586979098 HH Annotated Anodyne CCOc1n[nH]c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1Br ZINC000586979108 HH Annotated Anodyne Cc1nn(Cc2nc3cc(C#N)cc(Br)c3[nH]2)c(C)c1Br ZINC000586979118 HH Annotated Mild Cc1nn(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c(C)c1Br ZINC000586979332 HH Annotated Anodyne Clc1nccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1Br ZINC000586979458 HH Annotated Anodyne Cc1nn(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C)c1Br ZINC000586979463 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4cnc(C)c(Br)c4C)[nH]c3c2)NNC(=O)C1 ZINC000586979515 HH Annotated Anodyne CCOc1n[nH]c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1Br ZINC000586979650 HH Annotated Anodyne Cc1c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979696 HH Annotated Bother CCOc1n[nH]c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1Br ZINC000586979706 HH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586979764 HH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586979769 HH Annotated Anodyne COC(=O)c1cccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c12 ZINC000586979789 HH Annotated Anodyne COC(=O)c1ccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2c1 ZINC000586979810 HH Annotated Anodyne COc1cc(OC)c2[nH]c(COc3c(C=O)cc(Br)cc3OC)nc2c1 ZINC000586979870 HH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C(C)=O)cc2[nH]1 ZINC000586979933 HH Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(Br)cc1[N+](=O)[O-] ZINC000586979951 HH Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586980044 HH Annotated Mild COc1cc(Br)cc(C=O)c1OCc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586980078 HH Annotated Anodyne COc1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2cc1F ZINC000586980110 HH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586980118 HH Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586980130 HH Annotated Anodyne Cc1c(-c2nc3nc(Br)c[nH]c-3n2)cc(Br)cc1[N+](=O)[O-] ZINC000586980219 HH Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586980278 HH Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(N)nc(Cl)c2[nH]1 ZINC000586980344 HH Annotated Anodyne Cc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(Br)cc1[N+](=O)[O-] ZINC000586980433 HH Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586980533 HH Annotated Bother COc1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2cc1OC ZINC000586980543 HH Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586980545 HH Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586980664 HH Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(C#N)c(C#N)[nH]c-2n1 ZINC000586981319 HH Annotated Mild CC(C)CCOc1ccc(Br)cc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586981355 HH Annotated Mild CC1=C(c2ccc3nc(-c4cc(Br)cc(C=O)c4)[nH]c3c2)NNC(=O)C1 ZINC000586981411 HH Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000586982123 HH Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000586982744 HH Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000586983051 HH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586983674 HH Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586983676 HH Annotated Bother N[C@H](Cc1cccc(Br)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586983759 HH Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586983760 HH Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](Cc3ccc(Br)cc3)NC(C)=O)nc2c1 ZINC000586983809 HH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586983824 HH Annotated Bother CC(=O)N[C@@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccc(Br)cc1 ZINC000586983904 HH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccc(Br)cc1 ZINC000586983908 HH Annotated Anodyne COC(=O)c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cn1 ZINC000586983925 HH Annotated Anodyne COC(=O)c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cn1 ZINC000586983927 HH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586984044 HH Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@H](NC(C)=O)c3ccc(Br)cc3)nc2c1 ZINC000586984102 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586984129 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586984130 HH Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586984146 HH Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586984147 HH Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@@H](NC(C)=O)c3ccc(Br)cc3)nc2c1 ZINC000586984158 HH Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586984183 HH Annotated Anodyne CN(C)CCOc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586984184 HH Annotated Anodyne COc1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1F ZINC000586984192 HH Annotated Anodyne COc1cc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1F ZINC000586984193 HH Annotated Anodyne COC(=O)c1cccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c12 ZINC000586984361 HH Annotated Anodyne COC(=O)c1cccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c12 ZINC000586984363 HH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Br)cc1 ZINC000586984505 HH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(Br)cc1 ZINC000586984507 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586984545 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586984546 HH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586984765 HH Annotated Anodyne Sc1nc(S)c2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 ZINC000586984770 HH Annotated Anodyne Sc1nc(S)c2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 ZINC000586984782 HH Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586984813 HH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586984814 HH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 ZINC000586984877 HH Annotated Bother CC(=O)N[C@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 ZINC000586984879 HH Annotated Bother N[C@@H](Cc1cccc(Br)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586985138 HH Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586985141 HH Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586985161 HH Annotated Mild COC(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586985234 HH Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586985235 HH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Cl)nc(C#N)c2[nH]1)c1ccc(Br)cc1 ZINC000586985530 HH Annotated Mild CC(=O)N[C@@H](Cc1nc2cc(Cl)nc(C#N)c2[nH]1)c1ccc(Br)cc1 ZINC000586985531 HH Annotated Mild CC(=O)N[C@@H](Cc1nc2ccc(C(C)=O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985555 HH Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(C(C)=O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985556 HH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985584 HH Annotated Bother CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985585 HH Annotated Bother CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985607 HH Annotated Bother CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985608 HH Annotated Bother COC(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 ZINC000586985614 HH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2n1 ZINC000586985615 HH Annotated Anodyne COC(=O)c1cccc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c12 ZINC000586985619 HH Annotated Anodyne O=[N+]([O-])c1cncc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985681 HH Annotated Bother O=[N+]([O-])c1cncc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985682 HH Annotated Bother COc1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1OC ZINC000586986022 HH Annotated Anodyne COc1cc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1OC ZINC000586986023 HH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986422 HH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986424 HH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1 ZINC000586986501 HH Annotated Bother CC(=O)N[C@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1 ZINC000586986502 HH Annotated Bother C=CCOC(=O)N[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586987243 HH Annotated Mild C=CCOC(=O)N[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586987247 HH Annotated Mild CCOC(=O)/C(=C/N(C)C)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586987373 HH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586987374 HH Annotated Anodyne O=C1c2ccccc2-c2cc(CCN3C(=O)c4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586987738 HH Annotated Anodyne O=C(O)c1cc2c(nc1O)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987786 HH Annotated Anodyne Cc1nn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1[N+](=O)[O-] ZINC000586987895 HH Annotated Bother C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000586988110 HH Annotated Bother C[C@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000586988111 HH Annotated Bother C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000586988112 HH Annotated Bother C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000586988113 HH Annotated Bother C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000586988114 HH Annotated Bother O=C1c2ccccc2-c2cc(Cn3cnc4ccccc4c3=O)nc3ccc(O)c1c23 ZINC000586988128 HH Annotated Anodyne COc1cc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)ccn1 ZINC000586988419 HH Annotated Anodyne O=C1c2ccccc2-c2c(CCN3C(=O)c4ccccc4C3=O)cnc3ccc(O)c1c23 ZINC000586988654 HH Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)c4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586988817 HH Annotated Anodyne CCC1=C(C)N[C@@H]2c3nc4ccc(O)c5c4c(c3CCN2C1=O)-c1ccccc1C5=O ZINC000586989233 HH Annotated Anodyne CCC1=C(C)N[C@H]2c3nc4ccc(O)c5c4c(c3CCN2C1=O)-c1ccccc1C5=O ZINC000586989234 HH Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@]3(O)C(=O)Nc4ccccc43)nc3ccc(O)c1c23 ZINC000586989389 HH Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@]3(O)C(=O)Nc4ccccc43)nc3ccc(O)c1c23 ZINC000586989390 HH Annotated Anodyne CC1=C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[C@@H](C)n2nnnc2N1C ZINC000586989396 HH Annotated Anodyne CC1=C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[C@H](C)n2nnnc2N1C ZINC000586989397 HH Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989630 HH Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O ZINC000586989651 HH Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989782 HH Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989784 HH Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnc2cc(C(=O)O)nn12 ZINC000586989816 HH Annotated Anodyne O=C(O)CCCc1nc2ccc(O)c3c2c(c1CCC(=O)O)-c1ccccc1C3=O ZINC000586989970 HH Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O ZINC000586990082 HH Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@H]1C)-c1ccccc1C4=O ZINC000586990087 HH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O ZINC000586990089 HH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3ccc(O)c4c3c(c2[C@H]1C)-c1ccccc1C4=O ZINC000586990090 HH Annotated Anodyne CCOC(=O)C(=O)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990421 HH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586990423 HH Annotated Anodyne Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnc2c(C(=O)O)cnn12 ZINC000586990480 HH Annotated Anodyne COC(=O)C1(c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)CCOCC1 ZINC000586991251 HH Annotated Anodyne COCc1nc2ccc(O)c3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O ZINC000586992403 HH Annotated Anodyne CNS(=O)(=O)c1sccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993327 HH Annotated Anodyne Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1S(N)(=O)=O ZINC000586993489 HH Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994564 HH Annotated Anodyne CNS(=O)(=O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586994576 HH Annotated Anodyne COC(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1OC ZINC000586994758 HH Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586994917 HH Annotated Anodyne O=[N+]([O-])c1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000586995376 HH Annotated Bother CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586995524 HH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(C(N)=O)c(O)nc1CC4)-c1ccccc1C2=O ZINC000586995581 HH Annotated Anodyne Brc1ccc(NCCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000586996001 HH Annotated Anodyne N[C@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(Br)cc1 ZINC000586996540 HH Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586996542 HH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cnc(O)c(C(N)=O)c1CC4)-c1ccccc1C2=O ZINC000586996758 HH Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586997213 HH Annotated Anodyne FC(F)(F)c1ncc2nc(/C=C/c3cc4c(cc3Br)OCO4)nc-2[nH]1 ZINC000586997236 HH Annotated Anodyne FC(F)(F)c1ncc2nc(/C=C\c3cc4c(cc3Br)OCO4)nc-2[nH]1 ZINC000586997246 HH Annotated Anodyne Sc1nc(S)c2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1 ZINC000586997377 HH Annotated Anodyne Sc1nc(S)c2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1 ZINC000586997382 HH Annotated Anodyne Cc1ccc2c3c(c(CCNC(=O)C4CCOCC4)cnc13)-c1ccccc1C2=O ZINC000586997639 HH Annotated Anodyne Brc1c[nH]c2nc(/C=C/c3cc4c(cc3Br)OCO4)nc-2n1 ZINC000586997935 HH Annotated Anodyne Brc1c[nH]c2nc(/C=C\c3cc4c(cc3Br)OCO4)nc-2n1 ZINC000586997943 HH Annotated Anodyne N[C@H](Cc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586998074 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 ZINC000586998141 HH Annotated Anodyne O=C1COc2cc3[nH]c(/C=C/c4cc5c(cc4Br)OCO5)nc3cc2N1 ZINC000586998199 HH Annotated Anodyne O=C1COc2cc3[nH]c(/C=C\c4cc5c(cc4Br)OCO5)nc3cc2N1 ZINC000586998206 HH Annotated Anodyne N[C@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586998214 HH Annotated Anodyne Oc1nc(O)c2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2n1 ZINC000586998279 HH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4ncnc(Cl)c4[nH]3)cc2cc1Br ZINC000586998616 HH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(CO)ccc4[nH]3)cc2cc1Br ZINC000586998867 HH Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998998 HH Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998999 HH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(Cl)ncc4[nH]3)cc2cc1Br ZINC000586999004 HH Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3cc4c(cc3[nH]1)OCCO4)OCO2 ZINC000586999032 HH Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3cc4c(cc3[nH]1)OCCO4)OCO2 ZINC000586999033 HH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(N)c(N)cc4[nH]3)cc2cc1Br ZINC000586999057 HH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(Cl)c[nH]c-4n3)cc2cc1Br ZINC000586999065 HH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999246 HH Annotated Anodyne N[C@H](N=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999247 HH Annotated Anodyne N[C@H](N=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999248 HH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999249 HH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(F)c(F)c2[nH]1 ZINC000586999451 HH Annotated Anodyne Cc1c(F)ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000586999459 HH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 ZINC000586999473 HH Annotated Bother O=C1COc2cc(Br)ccc2N1CCc1nc2cc(F)c(F)cc2[nH]1 ZINC000586999499 HH Annotated Anodyne N[C@@H](N=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 ZINC000586999520 HH Annotated Anodyne N[C@H](N=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 ZINC000586999521 HH Annotated Anodyne COc1cc(OC)c2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2c1 ZINC000586999761 HH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Cl)ncc(F)c2[nH]1 ZINC000586999775 HH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586999806 HH Annotated Anodyne N#Cc1cc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2cc1C#N ZINC000586999844 HH Annotated Mild Oc1nc2cc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3cc2[nH]1 ZINC000586999851 HH Annotated Anodyne Oc1nc2cc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3cc2[nH]1 ZINC000586999857 HH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cnc(OC)cc4[nH]3)cc2cc1Br ZINC000586999877 HH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586999907 HH Annotated Anodyne COc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1F ZINC000586999925 HH Annotated Anodyne Brc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)cc2c1OCCO2 ZINC000587000057 HH Annotated Anodyne Brc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)cc2c1OCCO2 ZINC000587000058 HH Annotated Anodyne N[C@H](N=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000086 HH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000087 HH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000088 HH Annotated Anodyne N[C@H](N=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000090 HH Annotated Anodyne Cc1cc(F)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2c1 ZINC000587000117 HH Annotated Anodyne Oc1nc(S)nc2[nH]c(COc3ccc4ccccc4c3Br)nc12 ZINC000587000147 HH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587000177 HH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587000213 HH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(O)nccc4[nH]3)cc2cc1Br ZINC000587000228 HH Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(Br)c(O)c3[nH]2)n1 ZINC000587000243 HH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c([N+](=O)[O-])cccc2[nH]1 ZINC000587000258 HH Annotated Bother CCOc1cc2oc(=O)c(-c3nc4c(OC)nccc4[nH]3)cc2cc1Br ZINC000587000263 HH Annotated Anodyne Cc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1C ZINC000587000265 HH Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)n1 ZINC000587000280 HH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc12 ZINC000587000303 HH Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1F ZINC000587000307 HH Annotated Anodyne CCn1cc(Br)c(Cc2nc3c(Br)cnc(Cl)c3[nH]2)n1 ZINC000587000458 HH Annotated Anodyne N#Cc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1C#N ZINC000587000469 HH Annotated Mild Sc1nc(S)c2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 ZINC000587000515 HH Annotated Anodyne Sc1nc(S)c2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 ZINC000587000516 HH Annotated Anodyne O=C(O)c1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000581 HH Annotated Anodyne O=C(O)c1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000583 HH Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 ZINC000587000622 HH Annotated Mild CCn1cc(Br)c(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)n1 ZINC000587000687 HH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(OC)cncc4[nH]3)cc2cc1Br ZINC000587000704 HH Annotated Anodyne COc1cc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2cc1OC ZINC000587000731 HH Annotated Anodyne O=C(O)c1cc(F)cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 ZINC000587000761 HH Annotated Anodyne COC(=O)c1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 ZINC000587000775 HH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cccc(Cl)c2[nH]1 ZINC000587000794 HH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000587000967 HH Annotated Anodyne O=C(O)c1cc(F)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587001291 HH Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587001302 HH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(F)cc(F)c2[nH]1 ZINC000587001349 HH Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 ZINC000587001402 HH Annotated Mild Cc1ccc(C)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc12 ZINC000587001418 HH Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(OC)ccc4[nH]3)cc2cc1Br ZINC000587001441 HH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587001461 HH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587001598 HH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587001600 HH Annotated Anodyne O=[N+]([O-])c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1F ZINC000587001754 HH Annotated Bother N[C@@H](N=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587001906 HH Annotated Anodyne N[C@H](N=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587001907 HH Annotated Anodyne N[C@H](N=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587001908 HH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587001909 HH Annotated Anodyne Brc1c[nH]c2nccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c12 ZINC000587001910 HH Annotated Anodyne O=C1C[C@@H](Cc2nc3cc4c(cc3[nH]2)OCO4)c2c(Br)cccc2O1 ZINC000587001925 HH Annotated Anodyne O=C1C[C@H](Cc2nc3cc4c(cc3[nH]2)OCO4)c2c(Br)cccc2O1 ZINC000587001926 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2cc1OC ZINC000587001958 HH Annotated Anodyne COC(=O)c1cccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587001981 HH Annotated Anodyne COC(=O)c1cccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587001982 HH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587001996 HH Annotated Bother O=C(O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002021 HH Annotated Anodyne O=C(O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002022 HH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587002147 HH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587002171 HH Annotated Bother N#Cc1nc2nc(COc3ccc4ccccc4c3Br)[nH]c2nc1C#N ZINC000587002221 HH Annotated Mild CCn1cc(Br)c(Cc2nc3cc(C#N)cc(Br)c3[nH]2)n1 ZINC000587002261 HH Annotated Mild N#Cc1nc(Cl)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002269 HH Annotated Mild CCn1cc(Br)c(Cc2nc3c(Cl)c(Br)cnc3[nH]2)n1 ZINC000587002321 HH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc3ncccc3c2[nH]1 ZINC000587002325 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4ccnc5[nH]cc(Br)c45)[nH]c3c2)NNC(=O)C1 ZINC000587002362 HH Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cnc3ccccc3c2[nH]1 ZINC000587002367 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1OC ZINC000587002421 HH Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002447 HH Annotated Anodyne O=C1C[C@H](Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002448 HH Annotated Anodyne O=C1C[C@@H](Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1 ZINC000587002488 HH Annotated Bother O=C1C[C@H](Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1 ZINC000587002489 HH Annotated Bother CCCn1cnc2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc(Br)c21 ZINC000587002500 HH Annotated Anodyne N=c1[nH]c2nc(COc3ccc4ccccc4c3Br)nc-2c(Cl)[nH]1 ZINC000587002574 HH Annotated Anodyne O=[N+]([O-])c1cncc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587002627 HH Annotated Bother O=[N+]([O-])c1cncc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587002630 HH Annotated Bother OCCc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002687 HH Annotated Anodyne OCCc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002692 HH Annotated Anodyne COc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1OC ZINC000587002869 HH Annotated Anodyne O=C1C[C@H](Cc2nc3cc4c(cc3[nH]2)OCCO4)c2c(Br)cccc2O1 ZINC000587002934 HH Annotated Anodyne O=C1C[C@@H](Cc2nc3cc4c(cc3[nH]2)OCCO4)c2c(Br)cccc2O1 ZINC000587002940 HH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587003015 HH Annotated Bother O=[N+]([O-])c1cnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587003016 HH Annotated Bother O=C1C[C@@H](Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003055 HH Annotated Bother O=C1C[C@H](Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003057 HH Annotated Bother Cc1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1C ZINC000587003185 HH Annotated Anodyne O=C1CCc2cc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3cc2N1 ZINC000587003239 HH Annotated Anodyne COc1cc(OC)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587003324 HH Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587003388 HH Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587003494 HH Annotated Anodyne COC(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587003495 HH Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(C(=O)OC)nc4[nH]3)cc(Br)c21 ZINC000587003712 HH Annotated Anodyne O=C1C[C@@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003777 HH Annotated Anodyne CN(C)C(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003791 HH Annotated Anodyne O=C1C[C@H](Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003801 HH Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2o1 ZINC000587003890 HH Annotated Anodyne COc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1C ZINC000587003903 HH Annotated Anodyne N#Cc1nc(Cl)cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587003910 HH Annotated Mild N#Cc1nc(Cl)cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587003914 HH Annotated Mild O=C(O)c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1F ZINC000587003939 HH Annotated Anodyne Cc1cc(C)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2c1 ZINC000587004001 HH Annotated Anodyne FC(F)(F)c1ncc2nc(CCn3ncc4cc(Br)ccc43)nc-2[nH]1 ZINC000587004136 HH Annotated Anodyne COc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1OC ZINC000587004394 HH Annotated Anodyne COc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1OC ZINC000587004395 HH Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 ZINC000587004403 HH Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 ZINC000587004405 HH Annotated Anodyne O=C1C[C@@H](Cc2nc3cccc(C(=O)O)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004413 HH Annotated Anodyne O=C1C[C@H](Cc2nc3cccc(C(=O)O)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004414 HH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1[N+](=O)[O-] ZINC000587004518 HH Annotated Bother O=C1C[C@H](Cc2nc3ccc(C(=O)O)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004577 HH Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(C(=O)O)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004579 HH Annotated Anodyne N#Cc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1C#N ZINC000587004598 HH Annotated Mild N#Cc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1C#N ZINC000587004599 HH Annotated Mild CCCn1cnc2cc(-c3nc4cc(C(=O)OC)ncc4[nH]3)cc(Br)c21 ZINC000587004683 HH Annotated Anodyne CCCn1cnc2cc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc(Br)c21 ZINC000587004729 HH Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004820 HH Annotated Anodyne O=C1C[C@H](Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004821 HH Annotated Anodyne CCCn1cnc2cc(-c3nc4c(O)nc(S)nc4[nH]3)cc(Br)c21 ZINC000587005082 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005205 HH Annotated Anodyne CC(C)n1c(-c2nc3ncnc(N)c3[nH]2)cc(Br)c1Br ZINC000587005287 HH Annotated Anodyne CC(C)n1c(-c2nc3c(O)ncnc3[nH]2)cc(Br)c1Br ZINC000587005440 HH Annotated Anodyne Cc1nc2[nH]c(-c3nc(Cl)cnc3Br)nc2cc1Br ZINC000587005443 HH Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc12 ZINC000587005491 HH Annotated Anodyne CC(C)n1c(-c2nc3c(O)nncc3[nH]2)cc(Br)c1Br ZINC000587005546 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4nc(Br)ccc4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587005638 HH Annotated Anodyne Oc1c(Br)ccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005795 HH Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3nc(Cl)cnc3Br)nc1-2 ZINC000587005897 HH Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 ZINC000587006058 HH Annotated Anodyne N#Cc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1C(F)(F)F ZINC000587006093 HH Annotated Mild COc1nccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 ZINC000587006139 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc5[nH]nc(Br)c5c4)[nH]c3c2)NNC(=O)C1 ZINC000587006238 HH Annotated Anodyne O=c1c(-c2nc3cc4c(cc3[nH]2)OCO4)cc(Br)cn1Cc1ccccc1 ZINC000587006343 HH Annotated Anodyne O=c1c(-c2nc3ncnc(Cl)c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006364 HH Annotated Anodyne COc1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cn1 ZINC000587006387 HH Annotated Anodyne Fc1cnc(Br)c2nc(-c3cccn4c(Br)cnc34)[nH]c12 ZINC000587006537 HH Annotated Anodyne Clc1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccnc1Br ZINC000587006586 HH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587006665 HH Annotated Mild O=c1c(-c2nc3nc(Cl)ncc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006710 HH Annotated Anodyne O=c1c(-c2nc3nc(Cl)c[nH]c-3n2)cc(Br)cn1Cc1ccccc1 ZINC000587006740 HH Annotated Anodyne Oc1c(Br)ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587006787 HH Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc12 ZINC000587006800 HH Annotated Anodyne COc1cncc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc12 ZINC000587006814 HH Annotated Anodyne COc1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2n1 ZINC000587006815 HH Annotated Anodyne Nc1nccc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c12 ZINC000587006897 HH Annotated Anodyne Cc1nc2[nH]c(-c3cnn4cc(Br)cnc34)nc2cc1Br ZINC000587007026 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4ccnc(Br)c4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587007077 HH Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587007437 HH Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587007552 HH Annotated Reactive Fc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1Br ZINC000587008154 HH Annotated Anodyne Nc1ccnc2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc12 ZINC000587008235 HH Annotated Anodyne Fc1cc2[nH]c(-c3cnn4cc(Br)cnc34)nc2cc1Br ZINC000587008286 HH Annotated Anodyne Nc1cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2cn1 ZINC000587008343 HH Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccnc(O)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008381 HH Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587008503 HH Annotated Anodyne Fc1c(Br)ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587008630 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 ZINC000587008637 HH Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 ZINC000587008639 HH Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587008925 HH Annotated Reactive Fc1cc(Br)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587009088 HH Annotated Anodyne Fc1cc(Br)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587009177 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)Br)[nH]c2c1 ZINC000587009178 HH Annotated Reactive Nc1ccc(-c2ccc3nc(-c4cnn5cc(Br)cnc45)[nH]c3c2)cc1N ZINC000587009185 HH Annotated Anodyne CC(C)COc1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2cc1Br ZINC000587009284 HH Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587009430 HH Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587009464 HH Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587009492 HH Annotated Reactive COC(=O)c1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587009493 HH Annotated Reactive COC(=O)c1ccc(Oc2ccc3nc(C(C)(C)NC(=O)CCl)[nH]c3c2)cc1 ZINC000587009529 HH Annotated Reactive N[C@H](CCl)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587009698 HH Annotated Reactive Cc1nc(Br)sc1-c1nc2cc(I)cnc2[nH]1 ZINC000587010797 HH Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587010873 HH Annotated Anodyne Cc1nc(C)c(Cc2nc3c(I)cnc(Cl)c3[nH]2)s1 ZINC000587011801 HH Annotated Anodyne Brc1c[nH]c2nc(-c3nc(Br)sc3C3CC3)nc-2n1 ZINC000587012103 HH Annotated Anodyne Cc1nc(Br)sc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587012565 HH Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587013035 HH Annotated Anodyne CCCc1sc(N)nc1-c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587013058 HH Annotated Anodyne CCCc1sc(N)nc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587013071 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cncc(Br)c3[nH]2)cs1 ZINC000587013736 HH Annotated Anodyne CCCc1sc(N)nc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587013755 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccnc(Br)c3[nH]2)cs1 ZINC000587013889 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)ncc3[nH]2)cs1 ZINC000587013898 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cs1 ZINC000587013910 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c[nH]c(=N)[nH]c-4n3)cs2)cc1 ZINC000587014025 HH Annotated Anodyne CCOC(=O)c1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587014082 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Br)nc3[nH]2)cs1 ZINC000587014094 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(N)ncnc4[nH]3)cs2)cc1 ZINC000587014228 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)cnc3[nH]2)cs1 ZINC000587014290 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3c(Br)ccnc3[nH]2)cs1 ZINC000587014496 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cs1 ZINC000587014632 HH Annotated Bother CCOC(=O)Cc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587014764 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2cc1OC ZINC000587014767 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1OC ZINC000587014786 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4sc(Br)nc4C)[nH]c3c2)NNC(=O)C1 ZINC000587015181 HH Annotated Anodyne Brc1c[nH]c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)nc-2n1 ZINC000587016416 HH Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587016569 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587016732 HH Annotated Anodyne O=S(=O)(c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1)C(F)(F)F ZINC000587016881 HH Annotated Anodyne O=S(=O)(c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1)C(F)(F)F ZINC000587016882 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587016937 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587016938 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587017171 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc12 ZINC000587017257 HH Annotated Anodyne O=C1CCc2cc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3cc2N1 ZINC000587017264 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587017384 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587017386 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587017625 HH Annotated Anodyne Ic1cnc2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 ZINC000587017915 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(Cc3csc(-c4ccco4)n3)nc-2[nH]1 ZINC000587018017 HH Annotated Anodyne COC(=O)c1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cn1 ZINC000587018081 HH Annotated Anodyne Oc1nc2cc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3cc2[nH]1 ZINC000587018313 HH Annotated Anodyne O=C1COc2cc3[nH]c(-c4csc(Nc5cccc6ncccc56)n4)nc3cc2N1 ZINC000587018365 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2n1 ZINC000587018383 HH Annotated Anodyne N#Cc1nc(Cl)cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018477 HH Annotated Mild N[C@@H](N=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587018513 HH Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587018514 HH Annotated Anodyne COC(=O)c1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018546 HH Annotated Anodyne O=C1COc2cc3[nH]c(Cc4csc(NC(=O)Nc5ccccc5)n4)nc3cc2N1 ZINC000587018831 HH Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587018925 HH Annotated Anodyne FC(F)(F)c1ncc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc-2[nH]1 ZINC000587019036 HH Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 ZINC000587019051 HH Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(S)nc(S)nc3[nH]2)cs1 ZINC000587019104 HH Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 ZINC000587019179 HH Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 ZINC000587019202 HH Annotated Anodyne O=C(Nc1nc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cs1)c1cccs1 ZINC000587019354 HH Annotated Bother N[C@@H](N=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 ZINC000587019428 HH Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 ZINC000587019429 HH Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)cs1)c1cccs1 ZINC000587019629 HH Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cs1 ZINC000587019682 HH Annotated Anodyne O=C1CCc2cc3nc(Cc4csc(NC(=O)c5cccs5)n4)[nH]c3cc2N1 ZINC000587019788 HH Annotated Anodyne Cc1cc2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc2cc1[N+](=O)[O-] ZINC000587019841 HH Annotated Bother CC(C)(C)OC(=O)Nc1nc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cs1 ZINC000587019855 HH Annotated Anodyne O=C(Nc1nc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019860 HH Annotated Bother O=C(Nc1nc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cs1)c1cccc(O)c1 ZINC000587019909 HH Annotated Anodyne O=C(Nc1nc(Cc2nc3c(F)cnc(Cl)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587020102 HH Annotated Anodyne O=C(Nc1nc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cs1)c1cccs1 ZINC000587020126 HH Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cs1)c1cccs1 ZINC000587020136 HH Annotated Anodyne N#Cc1nc(Cl)cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 ZINC000587020150 HH Annotated Mild COC(=O)c1cc2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2cc1OC ZINC000587020186 HH Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1OC ZINC000587020369 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cs1 ZINC000587020376 HH Annotated Bother Nc1nc(Cl)c2nc(-c3cccc(N=c4[nH]c(-c5ccccn5)cs4)c3)nc-2[nH]1 ZINC000587020469 HH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587020649 HH Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)s2)cn1 ZINC000587020974 HH Annotated Bother Cn1cc(-c2ncc(-c3nc4ccc(I)cc4[nH]3)s2)cn1 ZINC000587021133 HH Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)s2)cn1 ZINC000587021141 HH Annotated Bother Cn1cc(-c2ncc(-c3nc4cccc(I)c4[nH]3)s2)cn1 ZINC000587021146 HH Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)s2)cn1 ZINC000587021191 HH Annotated Clean Nc1nc(-c2cccc(-c3nc4cc(I)cnc4[nH]3)c2)cs1 ZINC000587021462 HH Annotated Anodyne Nc1nc(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)cs1 ZINC000587021731 HH Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cc(I)cnc3[nH]2)cs1 ZINC000587021782 HH Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)s2)cn1 ZINC000587022353 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc2c1 ZINC000587022357 HH Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)cc2)n1 ZINC000587022532 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4cccc(-c5csc(N)n5)c4)[nH]c3c2)NNC(=O)C1 ZINC000587022540 HH Annotated Anodyne C[C@H](O)c1ncc(-c2nc3c(Br)cnc(Br)c3[nH]2)s1 ZINC000587022821 HH Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3c(Br)cnc(Br)c3[nH]2)s1 ZINC000587022822 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)s1 ZINC000587022985 HH Annotated Bother CN(C)CCOc1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 ZINC000587023040 HH Annotated Anodyne COC(=O)c1cc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1OC ZINC000587023286 HH Annotated Anodyne O=C(CCc1nc2cnc3ccccc3c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023388 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(Br)c3[nH]2)s1 ZINC000587023448 HH Annotated Anodyne O=C(CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023471 HH Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc2c1 ZINC000587023478 HH Annotated Anodyne O=C(CCc1nc2c(Cl)cnc(Cl)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023491 HH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc2c1 ZINC000587023509 HH Annotated Mild O=C(CCc1nc2cc(Cl)c(F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023514 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)s1 ZINC000587023522 HH Annotated Anodyne Cc1cc(Br)cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c12 ZINC000587023730 HH Annotated Anodyne O=C(CCc1nc2cc(Cl)nc(Cl)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023736 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)s1 ZINC000587023751 HH Annotated Anodyne O=C(CCc1nc2ccc3ncccc3c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023767 HH Annotated Anodyne O=C(CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023784 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)s1 ZINC000587023797 HH Annotated Mild CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Br)cc3[nH]2)s1 ZINC000587023798 HH Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1OC ZINC000587024025 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)s1 ZINC000587024050 HH Annotated Anodyne CC(C)Oc1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 ZINC000587024068 HH Annotated Anodyne Cc1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1Br ZINC000587024087 HH Annotated Anodyne O=C(CCc1nc2ccc3c(c2[nH]1)CCCC3)Nc1nnc(-c2ccncc2)s1 ZINC000587024200 HH Annotated Anodyne Cc1ccc2c(ccc3nc(CCC(=O)Nc4nnc(-c5ccncc5)s4)[nH]c32)n1 ZINC000587024294 HH Annotated Anodyne Cc1c(Br)ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c12 ZINC000587024300 HH Annotated Anodyne O=C(CCc1nc2cc(Cl)c(Cl)nc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024304 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)s1 ZINC000587024313 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)s1 ZINC000587024365 HH Annotated Anodyne O=C(CCc1nc2cc(Cl)cc(F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024417 HH Annotated Anodyne O=C(CCc1nc2c(Cl)c(Cl)cnc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024433 HH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 ZINC000587024952 HH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 ZINC000587024953 HH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 ZINC000587024954 HH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 ZINC000587024955 HH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587024986 HH Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(CSc3nnc(S)s3)[nH]c21 ZINC000587025261 HH Annotated Clean O=[N+]([O-])c1c(Br)ccc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587025299 HH Annotated Bother Sc1nnc(SCc2nc3ccc(I)cc3[nH]2)s1 ZINC000587025448 HH Annotated Anodyne CC(C)(C)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2n1 ZINC000587026035 HH Annotated Anodyne Sc1nnc(SCc2nc3cccc(I)c3[nH]2)s1 ZINC000587026073 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3nnc(S)s3)nc2c1 ZINC000587026181 HH Annotated Anodyne CC1=C(c2ccc3nc(Cc4nc(-c5ccsc5)oc4C)[nH]c3c2)NNC(=O)C1 ZINC000587026797 HH Annotated Anodyne O=C(NCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1cscn1 ZINC000587027448 HH Annotated Anodyne O=C(NCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1cscn1 ZINC000587027494 HH Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587027514 HH Annotated Anodyne CCCCOc1cc2nc(CNC(=O)c3cscn3)[nH]c2cc1Br ZINC000587027521 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 ZINC000587027528 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 ZINC000587027530 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 ZINC000587027532 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 ZINC000587027535 HH Annotated Anodyne O=C(NCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1cscn1 ZINC000587027823 HH Annotated Anodyne O=C(NCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1cscn1 ZINC000587027857 HH Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CNC(=O)c4cscn4)[nH]c3c2)cc1 ZINC000587028111 HH Annotated Anodyne O=C(NCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1cscn1 ZINC000587028160 HH Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587028228 HH Annotated Anodyne CC(C)COc1cc2nc(CNC(=O)c3cscn3)[nH]c2cc1Br ZINC000587028261 HH Annotated Anodyne Cc1ncsc1CCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587028285 HH Annotated Anodyne N=C(N)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028397 HH Annotated Anodyne N=C(N)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028398 HH Annotated Anodyne N=C(N)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028399 HH Annotated Anodyne N=C(N)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587028400 HH Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cn1 ZINC000587028425 HH Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cn1 ZINC000587028426 HH Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cn1 ZINC000587028427 HH Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cn1 ZINC000587028428 HH Annotated Anodyne N[C@H](Cc1cscn1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587028477 HH Annotated Anodyne N=c1[nH]c2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc-2c(Cl)[nH]1 ZINC000587028480 HH Annotated Anodyne N=c1[nH]c2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc-2c(Cl)[nH]1 ZINC000587028484 HH Annotated Anodyne N=c1[nH]c2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc-2c(Cl)[nH]1 ZINC000587028485 HH Annotated Anodyne N=c1[nH]c2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc-2c(Cl)[nH]1 ZINC000587028486 HH Annotated Anodyne O=C(NCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1cscn1 ZINC000587028545 HH Annotated Anodyne O=C(NCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1cscn1 ZINC000587028580 HH Annotated Anodyne Cc1c(-c2nc3cc(OCCN(C)C)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028892 HH Annotated Anodyne COC(=O)c1cc2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2cc1OC ZINC000587028894 HH Annotated Anodyne Cc1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029033 HH Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029055 HH Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587029071 HH Annotated Anodyne Cc1c(-c2nc3ncc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029077 HH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)Cc5cscn5)[nH]c4c3)o2)cc1 ZINC000587029088 HH Annotated Anodyne Cc1c(-c2nc3c(Br)nccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029171 HH Annotated Anodyne Cc1c(-c2nc3nc(Br)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029213 HH Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1OC ZINC000587029230 HH Annotated Anodyne Cc1c(-c2nc3cnc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029363 HH Annotated Anodyne Cc1c(-c2nc3nccc(Br)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029368 HH Annotated Anodyne CCOC(=O)Cc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2c1 ZINC000587029471 HH Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587030007 HH Annotated Anodyne Cc1c(-c2nc3c(Br)cncc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030025 HH Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587030057 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(N)=O)cc3[nH]1)N2 ZINC000587030375 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(N)=O)cc3[nH]1)N2 ZINC000587030376 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(N)=O)cc3[nH]1)N2 ZINC000587030377 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(N)=O)cc3[nH]1)N2 ZINC000587030378 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2n1 ZINC000587030573 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cncc([N+](=O)[O-])c3[nH]1)N2 ZINC000587030784 HH Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cncc([N+](=O)[O-])c3[nH]1)N2 ZINC000587030786 HH Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cncc([N+](=O)[O-])c3[nH]1)N2 ZINC000587030788 HH Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cncc([N+](=O)[O-])c3[nH]1)N2 ZINC000587030790 HH Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(C(N)=O)c3[nH]1)N2 ZINC000587030826 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(C(N)=O)c3[nH]1)N2 ZINC000587030827 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(C(N)=O)c3[nH]1)N2 ZINC000587030828 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(C(N)=O)c3[nH]1)N2 ZINC000587030829 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc([N+](=O)[O-])cnc3[nH]1)N2 ZINC000587031103 HH Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc([N+](=O)[O-])cnc3[nH]1)N2 ZINC000587031105 HH Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc([N+](=O)[O-])cnc3[nH]1)N2 ZINC000587031106 HH Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc([N+](=O)[O-])cnc3[nH]1)N2 ZINC000587031108 HH Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(N)c(N)cc3[nH]1)N2 ZINC000587031908 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(N)c(N)cc3[nH]1)N2 ZINC000587031919 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(N)c(N)cc3[nH]1)N2 ZINC000587031921 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(N)c(N)cc3[nH]1)N2 ZINC000587031923 HH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 ZINC000587032347 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(=N)N)cc3[nH]1)N2 ZINC000587032475 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(=N)N)cc3[nH]1)N2 ZINC000587032478 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(=N)N)cc3[nH]1)N2 ZINC000587032480 HH Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(=N)N)cc3[nH]1)N2 ZINC000587032481 HH Annotated Anodyne Nc1c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587032534 HH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C)cnc4[nH]3)ccc2s1 ZINC000587032767 HH Annotated Anodyne COC(=O)c1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cn1 ZINC000587032775 HH Annotated Anodyne COC(=O)c1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cn1 ZINC000587032884 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3sc4cc(Br)ccc4c3N)nc12 ZINC000587032966 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 ZINC000587033403 HH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(C)ccnc4[nH]3)ccc2s1 ZINC000587033591 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2C1 ZINC000587033903 HH Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587033988 HH Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587033992 HH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cncc(C)c4[nH]3)ccc2s1 ZINC000587034065 HH Annotated Anodyne O=C(NCc1nc2c(Br)cnc(Cl)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034254 HH Annotated Anodyne O=C(NCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034345 HH Annotated Bother O=C(NCc1nc2ccc(I)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034358 HH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cnccc4[nH]3)ccc2s1 ZINC000587034364 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034488 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034490 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2n1 ZINC000587034509 HH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(C)nccc4[nH]3)ccc2s1 ZINC000587034674 HH Annotated Anodyne Nc1ccc(-c2ccc3nc(CNC(=O)c4cc5c(s4)CCC5)[nH]c3c2)cc1N ZINC000587034730 HH Annotated Anodyne O=C(NCc1nc2cccc(I)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034738 HH Annotated Anodyne O=C(NCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034778 HH Annotated Anodyne O=S(=O)(c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1)C(F)(F)F ZINC000587034780 HH Annotated Anodyne O=S(=O)(c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1)C(F)(F)F ZINC000587034781 HH Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C)nc4[nH]3)ccc2s1 ZINC000587034869 HH Annotated Anodyne O=C(NCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034881 HH Annotated Bother CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2C1 ZINC000587034963 HH Annotated Bother CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2C1 ZINC000587034966 HH Annotated Bother COC(=O)c1ccnc2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc12 ZINC000587035030 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(S)nc(S)nc4[nH]3)c2C1 ZINC000587035046 HH Annotated Anodyne O=C(NCc1nc2c(Cl)c(Br)cnc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035232 HH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc2c1 ZINC000587035407 HH Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587035522 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587035524 HH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc12 ZINC000587036885 HH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc12 ZINC000587036887 HH Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c(O)nc(N)nc5[nH]4)c23)cc1 ZINC000587037233 HH Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c[nH]c(=N)[nH]c-5n4)c23)cc1 ZINC000587037745 HH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc12 ZINC000587037780 HH Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc12 ZINC000587037785 HH Annotated Bother Cc1nc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587038162 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 ZINC000587038216 HH Annotated Anodyne CCOC(=O)Cc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 ZINC000587038218 HH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C(F)(F)F)ncc4[nH]3)cc12 ZINC000587038321 HH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C(F)(F)F)ncc4[nH]3)cc12 ZINC000587038322 HH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc12 ZINC000587038329 HH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc12 ZINC000587038330 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(O)c(Br)ccc2[nH]1 ZINC000587038584 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)nc-2[nH]1 ZINC000587038764 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H]3CS[C@H](Cc4ccccc4)N3)nc-2[nH]1 ZINC000587038765 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc-2[nH]1 ZINC000587038766 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)nc-2[nH]1 ZINC000587038767 HH Annotated Anodyne Cc1c(Br)cnc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587038892 HH Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)C1=O ZINC000587038905 HH Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)C1=O ZINC000587038906 HH Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)C1=O ZINC000587038912 HH Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)C1=O ZINC000587038913 HH Annotated Mild CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(C(=O)OC)c3[nH]2)cc1 ZINC000587038919 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(C(=O)OC)c3[nH]2)cc1 ZINC000587038922 HH Annotated Anodyne COc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Cl ZINC000587038934 HH Annotated Anodyne COc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Cl ZINC000587038937 HH Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(OCCC)c(Br)cc3[nH]2)C1=O ZINC000587039037 HH Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(OCCC)c(Br)cc3[nH]2)C1=O ZINC000587039038 HH Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(Cc3csc4nccn34)nc2c1 ZINC000587039128 HH Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)C1=O ZINC000587039165 HH Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)C1=O ZINC000587039168 HH Annotated Mild Clc1ncc(I)c2nc(Cc3csc4nccn34)[nH]c12 ZINC000587039322 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1 ZINC000587039378 HH Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587039565 HH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C(F)(F)F)cnc4[nH]3)cc12 ZINC000587039584 HH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C(F)(F)F)cnc4[nH]3)cc12 ZINC000587039585 HH Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)C1=O ZINC000587039640 HH Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)C1=O ZINC000587039643 HH Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc12 ZINC000587039664 HH Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc12 ZINC000587039667 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Br)ncc(F)c2[nH]1 ZINC000587039859 HH Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587039893 HH Annotated Anodyne Ic1cnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587040343 HH Annotated Anodyne Ic1cnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587040344 HH Annotated Anodyne Ic1cnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587040345 HH Annotated Anodyne Ic1cnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587040346 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587040530 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587040532 HH Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040558 HH Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040559 HH Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040560 HH Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040562 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000587040758 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000587040759 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000587040851 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000587040856 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000587041047 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000587041048 HH Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587041060 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(=O)OC)cc3[nH]2)cc1 ZINC000587041076 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(=O)OC)cc3[nH]2)cc1 ZINC000587041077 HH Annotated Anodyne CN(C)CCOc1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587041218 HH Annotated Anodyne CN(C)CCOc1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587041220 HH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587041272 HH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587041285 HH Annotated Anodyne Brc1cnc(Br)c2[nH]c(Cc3csc4nccn34)nc12 ZINC000587041335 HH Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587041445 HH Annotated Bother O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587041458 HH Annotated Bother CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587041793 HH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587041794 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587041882 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587041883 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000587041894 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000587041895 HH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587042185 HH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587042186 HH Annotated Anodyne O=S(=O)(O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587042280 HH Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042480 HH Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042481 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000587042506 HH Annotated Mild CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000587042507 HH Annotated Mild O=C1CSC[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)N1 ZINC000587042706 HH Annotated Anodyne O=C1CSC[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)N1 ZINC000587042707 HH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042859 HH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042860 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC)c(OC)cc3[nH]2)cc1 ZINC000587043035 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OC)c(OC)cc3[nH]2)cc1 ZINC000587043036 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000587043070 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000587043072 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000587043074 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000587043076 HH Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1OC ZINC000587043164 HH Annotated Anodyne COC(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1OC ZINC000587043165 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000587043322 HH Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000587043324 HH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587043331 HH Annotated Bother CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587043335 HH Annotated Bother CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587043466 HH Annotated Clean CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587043467 HH Annotated Clean CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587043660 HH Annotated Bother CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587043661 HH Annotated Bother CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587043678 HH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587043679 HH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587043684 HH Annotated Bother CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587043685 HH Annotated Bother O=C1CSc2ccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc2N1 ZINC000587043833 HH Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2cc1OC ZINC000587043847 HH Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2cc1OC ZINC000587043849 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587043878 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587043879 HH Annotated Anodyne O=C1CSc2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2N1 ZINC000587044144 HH Annotated Bother CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000587044292 HH Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587044293 HH Annotated Anodyne O=C1CSc2ccc(-c3nc4cccc(I)c4[nH]3)cc2N1 ZINC000587044349 HH Annotated Anodyne O=C1CSc2ccc(-c3nc4ccc(I)cc4[nH]3)cc2N1 ZINC000587044355 HH Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2N1 ZINC000587044434 HH Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2c1 ZINC000587044554 HH Annotated Anodyne COc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045849 HH Annotated Anodyne COc1cc(-c2nc3cc(I)cnc3[nH]2)cc(Cl)c1O ZINC000587046186 HH Annotated Anodyne COc1cc(/C=C\c2nc3nc(C#N)c(C#N)nc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046290 HH Annotated Mild COc1cc(/C=C/c2nc3nc(C#N)c(C#N)nc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046291 HH Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(Cl)ncnc3[nH]2)c1 ZINC000587048297 HH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048463 HH Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048464 HH Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(N)c(N)cc3[nH]2)c1 ZINC000587048528 HH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccnc(O)c3[nH]2)c1 ZINC000587049153 HH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000587049595 HH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(N)ccnc3[nH]2)c1 ZINC000587049734 HH Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000587050193 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587050545 HH Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 ZINC000587050548 HH Annotated Bother N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cccc(I)c2[nH]1 ZINC000587052361 HH Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587052367 HH Annotated Clean N=c1[nH]c2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc-2c(Cl)[nH]1 ZINC000587052559 HH Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(I)cc2[nH]1 ZINC000587052562 HH Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587052640 HH Annotated Bother N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587052705 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc2c1 ZINC000587052758 HH Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587052801 HH Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 ZINC000587052882 HH Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587052890 HH Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587053013 HH Annotated Anodyne COc1cncc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 ZINC000587053172 HH Annotated Bother COc1cncc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 ZINC000587053173 HH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587053388 HH Annotated Mild CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587053389 HH Annotated Mild O=c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587053525 HH Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(CO)cc2[nH]1 ZINC000587053543 HH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(CO)cc2[nH]1 ZINC000587053741 HH Annotated Bother COc1nccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 ZINC000587053778 HH Annotated Bother COc1nccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 ZINC000587053780 HH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)ncnc2[nH]1 ZINC000587053836 HH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)ncnc2[nH]1 ZINC000587053839 HH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587054352 HH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587054355 HH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587054855 HH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587054857 HH Annotated Bother COc1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2n1 ZINC000587054912 HH Annotated Bother COc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2n1 ZINC000587054915 HH Annotated Bother COc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cn1 ZINC000587054921 HH Annotated Bother COc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cn1 ZINC000587054923 HH Annotated Bother Nc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1N ZINC000587054994 HH Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587055278 HH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587055279 HH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(CCO)cc2[nH]1 ZINC000587055352 HH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(CCO)cc2[nH]1 ZINC000587055354 HH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587055864 HH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587055865 HH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587055944 HH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587055947 HH Annotated Bother N[C@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccccc1Cl ZINC000587056118 HH Annotated Anodyne N[C@@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccccc1Cl ZINC000587056121 HH Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587057462 HH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587057463 HH Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587058066 HH Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587058067 HH Annotated Bother N[C@@H](Cc1ccccc1Cl)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587058553 HH Annotated Anodyne O[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587059579 HH Annotated Anodyne O[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)c1ccccc1Cl ZINC000587059584 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 ZINC000587060368 HH Annotated Anodyne Nc1ncc(-c2nc3c(Br)ccnc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587060375 HH Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(C(=O)N(C)C)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060599 HH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3nc(Cl)c[nH]c-3n2)[C@H]1c1ccccc1Cl ZINC000587060806 HH Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060811 HH Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@@H]1c1ccccc1Cl ZINC000587060987 HH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(F)cnc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061124 HH Annotated Anodyne Cc1cc(-c2nc3ncnc(N)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061175 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2c1 ZINC000587061235 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2c1OC ZINC000587061258 HH Annotated Anodyne Nc1ncc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587061279 HH Annotated Bother Cc1cc(-c2nc3c(O)nncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061392 HH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cnc(Cl)[nH]c-3n2)[C@H]1c1ccccc1Cl ZINC000587061582 HH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(Cl)ncnc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061633 HH Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2c1 ZINC000587061680 HH Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3nc(Br)c[nH]c-3n2)[C@@H]1c1ccccc1Cl ZINC000587061963 HH Annotated Anodyne Cc1cc(-c2nc3c(O)ncnc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587062061 HH Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3c(S)nc(S)nc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062086 HH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccnc(OC)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062608 HH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(CO)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062657 HH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(OC)nc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062728 HH Annotated Anodyne Cc1onc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063300 HH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cncc(OC)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063410 HH Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(OC)ncc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063552 HH Annotated Anodyne O=c1cccc(-c2nc3ncnc(Cl)c3[nH]2)n1CCOc1ccccc1Cl ZINC000587063835 HH Annotated Anodyne O=c1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)n1CCOc1ccccc1Cl ZINC000587063860 HH Annotated Anodyne N#Cc1cc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2cc1C#N ZINC000587063905 HH Annotated Mild O=c1cccc(-c2nc3nc(Cl)ncc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063969 HH Annotated Anodyne O=c1cccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064007 HH Annotated Anodyne COc1cnc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1Cl ZINC000587064161 HH Annotated Anodyne O=c1cccc(-c2nc3nc(Cl)c[nH]c-3n2)n1CCOc1ccccc1Cl ZINC000587064310 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2c1 ZINC000587064640 HH Annotated Anodyne O=c1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)n1CCOc1ccccc1Cl ZINC000587064870 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3[nH]nc(OCC)c3Cl)nc2c1 ZINC000587064881 HH Annotated Anodyne N[C@@H](N=O)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 ZINC000587064968 HH Annotated Anodyne N[C@H](N=O)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 ZINC000587064969 HH Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587064987 HH Annotated Anodyne Nc1nc(O)c2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2n1 ZINC000587065041 HH Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 ZINC000587065119 HH Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587065398 HH Annotated Anodyne CCOc1n[nH]c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1Cl ZINC000587065548 HH Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587065567 HH Annotated Anodyne CCOc1n[nH]c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1Cl ZINC000587065619 HH Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587066820 HH Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587067232 HH Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 ZINC000587068059 HH Annotated Anodyne NNC(=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587068224 HH Annotated Reactive N#Cc1nc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2nc1C#N ZINC000587068267 HH Annotated Mild NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587068736 HH Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587068738 HH Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587069234 HH Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587069235 HH Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587069741 HH Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587069744 HH Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587069981 HH Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587069983 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587070605 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587070606 HH Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587070621 HH Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587070622 HH Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587070713 HH Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587070714 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1cccc(Cl)c1 ZINC000587071206 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1cccc(Cl)c1 ZINC000587071212 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)c1cccc(Cl)c1 ZINC000587071550 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)c1cccc(Cl)c1 ZINC000587071554 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3nnn(Cc4ccc(Cl)cc4)c3C)nc2cc1OC ZINC000587073087 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 ZINC000587073117 HH Annotated Anodyne Cc1c(-c2nc3c(Br)ccnc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073142 HH Annotated Anodyne Cc1c(-c2nc3ccc(Br)nc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073258 HH Annotated Anodyne Cc1c(-c2nc3cc(Br)cnc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073297 HH Annotated Anodyne Cc1c(-c2nc3cncc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073339 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1OC ZINC000587073407 HH Annotated Anodyne Cc1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073789 HH Annotated Bother Cc1c(-c2nc3ccnc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074057 HH Annotated Anodyne Cc1c(-c2nc3cc(Br)ncc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074317 HH Annotated Anodyne Cc1c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074761 HH Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4cc(I)cnc4[nH]3)ON2)cc1 ZINC000587075009 HH Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4cc(I)cnc4[nH]3)ON2)cc1 ZINC000587075014 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cn(-c4ccc(Cl)cc4)nn3)nc-2[nH]1 ZINC000587075048 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587075325 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 ZINC000587075326 HH Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4nc(Br)c[nH]c-4n3)o2)cc1 ZINC000587075398 HH Annotated Anodyne Cc1c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075560 HH Annotated Anodyne CN(C)CCOc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 ZINC000587075579 HH Annotated Anodyne CC1=C(c2ccc3nc([C@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3c2)NNC(=O)C1 ZINC000587075605 HH Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3c2)NNC(=O)C1 ZINC000587075607 HH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587076037 HH Annotated Anodyne Cc1onc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076324 HH Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cn(-c4ccc(Cl)cc4)nn3)nc1-2 ZINC000587076419 HH Annotated Anodyne CN1CCN(c2ccc3nc(CCc4nnc(-c5ccc(Cl)cc5)o4)[nH]c3c2)CC1 ZINC000587076523 HH Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587076684 HH Annotated Anodyne O=[N+]([O-])c1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1[N+](=O)[O-] ZINC000587077293 HH Annotated Bother Oc1nc(NCc2ccccc2)c2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc-2[nH]1 ZINC000587077523 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc-2[nH]1 ZINC000587077524 HH Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4ccc(CN5CCOCC5)cc4[nH]3)o2)cc1 ZINC000587077587 HH Annotated Anodyne COC(=O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1OC ZINC000587077602 HH Annotated Anodyne COC(=O)c1cc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2cc1OC ZINC000587077716 HH Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(O)nc(O)nc4[nH]3)c(Cl)cc12 ZINC000587078166 HH Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(O)nc(O)nc4[nH]3)c(Cl)cc12 ZINC000587078167 HH Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cnnc(O)c4[nH]3)c(Cl)cc12 ZINC000587078577 HH Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cnnc(O)c4[nH]3)c(Cl)cc12 ZINC000587078578 HH Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(O)ncnc4[nH]3)c(Cl)cc12 ZINC000587078644 HH Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(O)ncnc4[nH]3)c(Cl)cc12 ZINC000587078645 HH Annotated Anodyne Cc1cc2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2cc1[N+](=O)[O-] ZINC000587078790 HH Annotated Bother COc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1Cl ZINC000587078838 HH Annotated Bother Cc1onc(-c2nc3c(ccc4ncccc43)[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078890 HH Annotated Bother Cc1onc(-c2nc3c(cnc4ccccc43)[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079011 HH Annotated Bother C[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)n1cc(Cl)cn1 ZINC000587079066 HH Annotated Anodyne C[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)n1cc(Cl)cn1 ZINC000587079067 HH Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587079330 HH Annotated Clean CCCCNS(=O)(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587079368 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587079371 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587079386 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587079387 HH Annotated Anodyne CC1=C(c2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)NNC(=O)C1 ZINC000587079527 HH Annotated Anodyne CC1=C(c2ccc3nc([C@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3c2)NNC(=O)C1 ZINC000587079528 HH Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587079649 HH Annotated Bother N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587079651 HH Annotated Bother COc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1C ZINC000587079761 HH Annotated Bother Cc1onc(-c2nc3c(Cl)ncc(C)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079895 HH Annotated Bother Cc1onc(-c2nc3c(Cl)ncc(F)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080092 HH Annotated Bother Clc1cnn2c(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587080120 HH Annotated Anodyne Sc1nc(S)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2n1 ZINC000587080257 HH Annotated Anodyne Cc1onc(-c2nc3c(Cl)cc(C#N)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080379 HH Annotated Mild Cc1onc(-c2nc3c(F)c(F)c(F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080465 HH Annotated Bother C[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587080747 HH Annotated Anodyne C[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)n1cc(Cl)cn1 ZINC000587080748 HH Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587081338 HH Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587081341 HH Annotated Anodyne CC1=C(c2ccc3nc(CCCC(=O)c4ccc(Cl)cn4)[nH]c3c2)NNC(=O)C1 ZINC000587081377 HH Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587081387 HH Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587081388 HH Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587081479 HH Annotated Clean COC(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2n1 ZINC000587081673 HH Annotated Anodyne O=C1COc2cc3nc(-c4cc(-c5ccccc5)nc5c(Cl)cnn45)[nH]c3cc2N1 ZINC000587081792 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cn1 ZINC000587081929 HH Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)c1 ZINC000587082360 HH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587082780 HH Annotated Bother COC(=O)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1OC ZINC000587082844 HH Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)c1 ZINC000587082846 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2cc1OC ZINC000587082868 HH Annotated Anodyne COc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(Cl)n1 ZINC000587083747 HH Annotated Anodyne O=S(=O)(c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1)C(F)(F)F ZINC000587083923 HH Annotated Anodyne Cc1nc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2cc1Br ZINC000587084579 HH Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(C3CCN(c4nccnc4Cl)CC3)nc1-2 ZINC000587084688 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587084822 HH Annotated Anodyne Fc1cnc(Br)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 ZINC000587085292 HH Annotated Anodyne Oc1c(Br)ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587085378 HH Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 ZINC000587085386 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587085831 HH Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587086001 HH Annotated Anodyne COC(=O)c1cc2nc(-c3nc(Cl)cnc3N)[nH]c2c(F)c1Nc1ccccc1 ZINC000587086009 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587086156 HH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(N)ncnc2[nH]1 ZINC000587086303 HH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(N)ncnc2[nH]1 ZINC000587086304 HH Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587086343 HH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587086366 HH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587086367 HH Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587086371 HH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(O)nc(O)nc2[nH]1 ZINC000587086443 HH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(O)nc(O)nc2[nH]1 ZINC000587086444 HH Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587086463 HH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5nc(Cl)cnc5N)[nH]c4c3)o2)cc1 ZINC000587086823 HH Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587086845 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 ZINC000587086888 HH Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 ZINC000587086893 HH Annotated Reactive N#Cc1nc(Cl)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12 ZINC000587086899 HH Annotated Mild CCCCNS(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 ZINC000587086959 HH Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 ZINC000587086960 HH Annotated Reactive Oc1c(Br)ccc2nc(C(F)(Br)Br)[nH]c12 ZINC000587087013 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C(C[C@H]3CCCN3)=C(F)F)nc2c1 ZINC000587087201 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C(C[C@@H]3CCCN3)=C(F)F)nc2c1 ZINC000587087202 HH Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587087230 HH Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587087234 HH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(O)nc(N)nc2[nH]1 ZINC000587087446 HH Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(O)nc(N)nc2[nH]1 ZINC000587087447 HH Annotated Anodyne Fc1cnc(Br)c2[nH]c(C(F)(Br)Br)nc12 ZINC000587087797 HH Annotated Anodyne Cc1nc2[nH]c(C(F)(Br)Br)nc2cc1Br ZINC000587088041 HH Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(C(F)(Br)Br)nc1-2 ZINC000587088376 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C(F)(Br)Br)nc2c1 ZINC000587088779 HH Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587088810 HH Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(C(F)(F)C(F)F)[nH]c3c2)cc1 ZINC000587088845 HH Annotated Anodyne Cc1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc2cc1[N+](=O)[O-] ZINC000587088924 HH Annotated Mild COc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1F ZINC000587088961 HH Annotated Mild COc1cc(OC)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc2c1 ZINC000587089067 HH Annotated Mild Cc1c(Br)cnc2[nH]c(C(F)(Br)Br)nc12 ZINC000587089207 HH Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587089297 HH Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 ZINC000587089430 HH Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587089455 HH Annotated Mild COc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1C ZINC000587089504 HH Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587089534 HH Annotated Mild COc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1OC ZINC000587089611 HH Annotated Mild FC(F)(c1ccccn1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587089623 HH Annotated Anodyne O=S(=O)(O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089732 HH Annotated Mild CC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587089812 HH Annotated Mild O=C1COc2cc3[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3cc2N1 ZINC000587089859 HH Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587089866 HH Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2nc(Br)c[nH]c-2n1 ZINC000587090749 HH Annotated Mild FC(F)(F)COc1cc(-c2nc3cc(I)cnc3[nH]2)ccn1 ZINC000587090872 HH Annotated Anodyne O=[N+]([O-])c1cnc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2c1 ZINC000587090880 HH Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cnccc3[nH]2)CC1 ZINC000587090882 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccnc(OCC(F)(F)F)c3)nc-2[nH]1 ZINC000587090989 HH Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccnc(Br)c2[nH]1)C(F)(F)F ZINC000587091077 HH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccnc(Br)c2[nH]1)C(F)(F)F ZINC000587091078 HH Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 ZINC000587091081 HH Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(F)(F)F ZINC000587091087 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587091089 HH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(F)(F)F ZINC000587091090 HH Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Br)c(F)cc3[nH]2)nn1CC(F)(F)F ZINC000587091143 HH Annotated Bother Oc1nc(NCc2ccccc2)c2nc(-c3ncoc3CCC(F)(F)F)nc-2[nH]1 ZINC000587091175 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(F)cnc3[nH]2)CC1 ZINC000587091186 HH Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)nn1CC(F)(F)F ZINC000587091207 HH Annotated Bother COC(=O)c1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cn1 ZINC000587091212 HH Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)[nH]c3c2)cc1N ZINC000587091240 HH Annotated Bother CCOC(=O)c1ccc2nc([C@@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2c1 ZINC000587091243 HH Annotated Anodyne CCOC(=O)c1ccc2nc([C@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2c1 ZINC000587091246 HH Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587091301 HH Annotated Bother CCOc1ccccc1[C@](N)(c1nc2c(Br)ccnc2[nH]1)C(F)(F)F ZINC000587091303 HH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(Br)ccnc2[nH]1)C(F)(F)F ZINC000587091305 HH Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(Br)ncc2[nH]1)C(F)(F)F ZINC000587091307 HH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)ncc2[nH]1)C(F)(F)F ZINC000587091310 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2c1 ZINC000587091313 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2c1 ZINC000587091325 HH Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2n1 ZINC000587091351 HH Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 ZINC000587091392 HH Annotated Mild COC(=O)c1ccnc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c12 ZINC000587091412 HH Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc3c(cc2[nH]1)OCCCO3)C(F)(F)F ZINC000587091491 HH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc3c(cc2[nH]1)OCCCO3)C(F)(F)F ZINC000587091492 HH Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(Br)c(F)c3[nH]2)nn1CC(F)(F)F ZINC000587091607 HH Annotated Bother CCOc1ccccc1[C@](N)(c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(F)(F)F ZINC000587091861 HH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(F)(F)F ZINC000587091862 HH Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(Br)nc2[nH]1)C(F)(F)F ZINC000587091945 HH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(Br)nc2[nH]1)C(F)(F)F ZINC000587091946 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccnc3[nH]2)CC1 ZINC000587092029 HH Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 ZINC000587092055 HH Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587092070 HH Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)nn1CC(F)(F)F ZINC000587092186 HH Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(F)c(Br)c3[nH]2)nn1CC(F)(F)F ZINC000587092438 HH Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cncc(Br)c2[nH]1)C(F)(F)F ZINC000587092453 HH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cncc(Br)c2[nH]1)C(F)(F)F ZINC000587092454 HH Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587092564 HH Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(F)cc(Br)c3[nH]2)nn1CC(F)(F)F ZINC000587092583 HH Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(F)(F)F ZINC000587093006 HH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(F)(F)F ZINC000587093007 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 ZINC000587093011 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1 ZINC000587093012 HH Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Br)cc(F)c3[nH]2)nn1CC(F)(F)F ZINC000587093119 HH Annotated Bother FC(F)(F)CCc1ocnc1-c1nc2cc(I)cnc2[nH]1 ZINC000587093148 HH Annotated Anodyne Cc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br ZINC000587093180 HH Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587093242 HH Annotated Anodyne N#Cc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1C(F)(F)F ZINC000587093244 HH Annotated Mild CCOc1ccccc1[C@](N)(c1nc2cc(Br)cnc2[nH]1)C(F)(F)F ZINC000587093331 HH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)cnc2[nH]1)C(F)(F)F ZINC000587093332 HH Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(OCCN(C)C)cc2[nH]1)C(F)(F)F ZINC000587093626 HH Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(OCCN(C)C)cc2[nH]1)C(F)(F)F ZINC000587093627 HH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C(F)(F)F)n1 ZINC000587094144 HH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C(F)(F)F)n1 ZINC000587094145 HH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(C)c(Br)cnc3[nH]2)C(F)(F)F)n1 ZINC000587094286 HH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(C)c(Br)cnc3[nH]2)C(F)(F)F)n1 ZINC000587094287 HH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(Br)c(O)c3[nH]2)C(F)(F)F)n1 ZINC000587094312 HH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(Br)c(O)c3[nH]2)C(F)(F)F)n1 ZINC000587094313 HH Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 ZINC000587094581 HH Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 ZINC000587094845 HH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(Br)c(C)nc3[nH]2)C(F)(F)F)n1 ZINC000587094862 HH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(Br)c(C)nc3[nH]2)C(F)(F)F)n1 ZINC000587094863 HH Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)C(F)(F)F)n1 ZINC000587094929 HH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)C(F)(F)F)n1 ZINC000587094935 HH Annotated Anodyne Nc1ccc(-c2nc3cc(I)cnc3[nH]2)c(C(F)(F)F)c1 ZINC000587095182 HH Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C(F)(F)F)n1 ZINC000587095217 HH Annotated Bother Cc1csc([C@@](O)(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C(F)(F)F)n1 ZINC000587095220 HH Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc2c1 ZINC000587095241 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc2c1 ZINC000587095243 HH Annotated Anodyne Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C(F)(F)F)c1 ZINC000587095296 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c1 ZINC000587095358 HH Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587095991 HH Annotated Anodyne CCOC(=O)Cc1nc2c(C)ccc3c2c(c1CC(=O)OCC)-c1ccccc1C3=O ZINC000587096187 HH Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096309 HH Annotated Anodyne COC(=O)CC[C@@H](C(=O)OC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096311 HH Annotated Anodyne CCOC(=O)CCc1nc2c(C)ccc3c2c(c1CC(=O)O)-c1ccccc1C3=O ZINC000587096551 HH Annotated Anodyne C=C(C)C(=O)OCCOC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097518 HH Annotated Mild CCOC(=O)Cc1c(CCC(=O)O)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098366 HH Annotated Anodyne COC(=O)[C@@H]1c2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)CC[C@H]1C(=O)OC ZINC000587098370 HH Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-[n+]5cc(=O)o[nH]5)cc4)nc13)-c1ccccc1C2=O ZINC000587098743 HH Annotated Anodyne COC(=O)C1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC(OC)(OC)C1 ZINC000587099586 HH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@@H](C(=O)O)[C@H]4C(=O)O)-c1ccccc1C2=O ZINC000587100749 HH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@H](C(=O)O)[C@@H]4C(=O)O)-c1ccccc1C2=O ZINC000587100750 HH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@@H](C(=O)O)[C@@H]4C(=O)O)-c1ccccc1C2=O ZINC000587100751 HH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C)[C@H](C(=O)O)[C@H]4C(=O)O)-c1ccccc1C2=O ZINC000587100752 HH Annotated Anodyne Cc1ccc2c3c(cc(C4C(=O)CC(C)(C(=O)O)CC4=O)nc13)-c1ccccc1C2=O ZINC000587101909 HH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)[C@@H](C(=O)O)[C@@H]4C)-c1ccccc1C2=O ZINC000587102149 HH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)[C@@H](C(=O)O)[C@H]4C)-c1ccccc1C2=O ZINC000587102151 HH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)[C@H](C(=O)O)[C@@H]4C)-c1ccccc1C2=O ZINC000587102153 HH Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](C(=O)O)[C@H](C(=O)O)[C@H]4C)-c1ccccc1C2=O ZINC000587102156 HH Annotated Anodyne C[C@H](Oc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)NN ZINC000587102937 HH Annotated Reactive C[C@@H](Oc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)NN ZINC000587102956 HH Annotated Reactive CCOC(=O)CCCC(=O)NCCc1cnc2cccc3c2c1-c1ccccc1C3=O ZINC000587103834 HH Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1)[N+](=O)[O-] ZINC000587104242 HH Annotated Mild CCOC(=O)[C@@H]([C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1)[N+](=O)[O-] ZINC000587104244 HH Annotated Mild CCOC(=O)[C@@H]([C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1)[N+](=O)[O-] ZINC000587104247 HH Annotated Mild CCOC(=O)[C@H]([C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1)[N+](=O)[O-] ZINC000587104249 HH Annotated Mild O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCN(C[C@@H]1CCCCO1)C(=O)C3 ZINC000587105260 HH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCN(C[C@H]1CCCCO1)C(=O)C3 ZINC000587105261 HH Annotated Anodyne CN(C)/C=C(/c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)n1cc([N+](=O)[O-])cn1 ZINC000587105281 HH Annotated Bother O=C1c2ccccc2-c2cc(Cn3c(=O)oc(=O)c4ccccc43)nc3cccc1c23 ZINC000587105692 HH Annotated Anodyne CCOC(=O)Cc1nc2cccc3c2c(c1CC(=O)OCC)-c1ccccc1C3=O ZINC000587105839 HH Annotated Anodyne CCOC(=O)[C@H]1Cc2nc3cccc4c3c(c2[C@H]1C(=O)OCC)-c1ccccc1C4=O ZINC000587106182 HH Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587106571 HH Annotated Anodyne CCOC(=O)C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000587107159 HH Annotated Anodyne CC(=O)C(OO[C@@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(C)=O ZINC000587107195 HH Annotated Reactive CC(=O)C(OO[C@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(C)=O ZINC000587107196 HH Annotated Reactive COC(=O)C1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC(OC)(OC)C1 ZINC000587107309 HH Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O ZINC000587107727 HH Annotated Anodyne Cc1nccc2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc12 ZINC000587107984 HH Annotated Anodyne Cc1nccc2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc12 ZINC000587107986 HH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1)-c1ccccc1C5=O ZINC000587108197 HH Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1)-c1ccccc1C5=O ZINC000587108198 HH Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1)-c1ccccc1C5=O ZINC000587108199 HH Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1)-c1ccccc1C5=O ZINC000587108200 HH Annotated Anodyne C=C(C)C(=O)OCCOC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587108327 HH Annotated Mild CC1=C(c2ccc3nc(-c4cc(C(F)(F)F)ccc4C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000587108949 HH Annotated Anodyne N#Cc1cccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587109105 HH Annotated Mild N#Cc1cccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587109108 HH Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587109475 HH Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2nc(Br)c[nH]c-2n1 ZINC000587109802 HH Annotated Bother CN1CCN(c2ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3c2)CC1 ZINC000587109869 HH Annotated Bother CC1=C(c2ccc3nc(-c4ccc(C(F)(F)F)cc4C(=O)O)[nH]c3c2)NNC(=O)C1 ZINC000587109912 HH Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2cc1OC ZINC000587110145 HH Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587110202 HH Annotated Bother NNC(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110271 HH Annotated Reactive NS(=O)(=O)c1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110310 HH Annotated Anodyne NS(=O)(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110326 HH Annotated Anodyne N#Cc1nc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2nc1C#N ZINC000587110692 HH Annotated Mild FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Cl)nc(Cl)c4[nH]3)n2)cc1 ZINC000587111056 HH Annotated Anodyne FC1(F)Oc2cc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c3cc2O1 ZINC000587111258 HH Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(C(F)(F)F)ncc4[nH]3)n2)cc1 ZINC000587111270 HH Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587111341 HH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587111344 HH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587111360 HH Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587111362 HH Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587111363 HH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587111365 HH Annotated Anodyne COc1cc(OC)c2[nH]c([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587111415 HH Annotated Anodyne COc1cc(OC)c2[nH]c([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587111416 HH Annotated Anodyne COc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Cl ZINC000587112101 HH Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587112138 HH Annotated Anodyne CC1=C(c2ccc3nc([C@@H](N)Cc4cccc(C(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 ZINC000587112146 HH Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4c(Cl)cnc(Cl)c4[nH]3)n2)cc1 ZINC000587112147 HH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587112391 HH Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587112396 HH Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587112471 HH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587112473 HH Annotated Anodyne COC(=O)c1cccc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112535 HH Annotated Anodyne COC(=O)c1cccc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112536 HH Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Cl)c(Cl)nc4[nH]3)n2)cc1 ZINC000587112645 HH Annotated Anodyne Fc1c(F)c(F)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1F ZINC000587112807 HH Annotated Mild CC(C)(C)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2n1 ZINC000587112816 HH Annotated Anodyne Cc1cc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2cc1[N+](=O)[O-] ZINC000587112851 HH Annotated Bother O=[N+]([O-])c1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Cl ZINC000587113342 HH Annotated Bother O=C(CSCc1nc2nc(Cl)c[nH]c-2n1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113381 HH Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000587113428 HH Annotated Mild FC(F)(F)c1ccc(-c2nnn(Cc3nc4c(Cl)c(Cl)cnc4[nH]3)n2)cc1 ZINC000587113447 HH Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587113557 HH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587113559 HH Annotated Anodyne COc1cc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1OC ZINC000587113572 HH Annotated Anodyne COc1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1OC ZINC000587113573 HH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587113588 HH Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587113598 HH Annotated Anodyne NC(=O)c1cccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 ZINC000587113977 HH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587114078 HH Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587114081 HH Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(C(F)(F)F)cnc4[nH]3)n2)cc1 ZINC000587114105 HH Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587114253 HH Annotated Mild CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587114254 HH Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cnnc(O)c4[nH]3)nc2n1 ZINC000587114475 HH Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(N)ncc4[nH]3)nc2n1 ZINC000587114503 HH Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccnc(N)c4[nH]3)nc2n1 ZINC000587114722 HH Annotated Anodyne FC(F)(F)c1cc(-c2nc3nc(Br)c[nH]c-3n2)c(Br)cn1 ZINC000587114819 HH Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(O)ncnc4[nH]3)nc2n1 ZINC000587115265 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1 ZINC000587115575 HH Annotated Anodyne FC(F)(F)c1cc(-c2nc3c(S)nc(S)nc3[nH]2)c(Br)cn1 ZINC000587115866 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 ZINC000587116027 HH Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(C(F)(F)F)ncc4Br)nc3cc2N1 ZINC000587116096 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2cc1OC ZINC000587116115 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2n1 ZINC000587116134 HH Annotated Anodyne COC(=O)c1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cn1 ZINC000587116166 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1OC ZINC000587116184 HH Annotated Anodyne COC(=O)c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cn1 ZINC000587116318 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4cc5cnccc5nc4C(F)(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587116376 HH Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(S)nc(S)nc3[nH]2)c(C2CC2)c1Cl ZINC000587116390 HH Annotated Anodyne COC(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2n1 ZINC000587116391 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 ZINC000587116573 HH Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587116604 HH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587116657 HH Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587116706 HH Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587116874 HH Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587116994 HH Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587117090 HH Annotated Bother FC(F)(F)c1nn(CCc2nc3cc4c(cc3[nH]2)OCO4)cc1Br ZINC000587117166 HH Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(-n4cnnn4)cc3[nH]2)c(C2CC2)c1Cl ZINC000587117176 HH Annotated Anodyne COc1cncc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587117224 HH Annotated Bother FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 ZINC000587117246 HH Annotated Anodyne COc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1F ZINC000587117279 HH Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Br)nccc4[nH]3)no2)n1 ZINC000587117340 HH Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117369 HH Annotated Bother O=[N+]([O-])c1cncc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587117425 HH Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Br)cc2[nH]1 ZINC000587117526 HH Annotated Bother N#Cc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1C#N ZINC000587117567 HH Annotated Mild Fc1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1-n1cccn1 ZINC000587117576 HH Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4nc(Br)ccc4[nH]3)no2)n1 ZINC000587117704 HH Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3ccc(I)cc3[nH]2)n1 ZINC000587117773 HH Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc12 ZINC000587117805 HH Annotated Bother COc1cc(OC)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587117818 HH Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3cccc(I)c3[nH]2)n1 ZINC000587117827 HH Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(Br)c2[nH]1 ZINC000587117901 HH Annotated Bother O=C(O)c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1F ZINC000587117903 HH Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4ncc(Br)cc4[nH]3)no2)n1 ZINC000587117943 HH Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)nccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117961 HH Annotated Bother Cc1nc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc2cc1Br ZINC000587117991 HH Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587118030 HH Annotated Bother COc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1OC ZINC000587118056 HH Annotated Anodyne COc1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2n1 ZINC000587118115 HH Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncc(F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118128 HH Annotated Bother FC(F)(F)c1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cn1 ZINC000587118153 HH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587118158 HH Annotated Bother CC(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587118291 HH Annotated Anodyne Nc1cc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2cc1N ZINC000587118336 HH Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587118423 HH Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2c1 ZINC000587118426 HH Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587118455 HH Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587118456 HH Annotated Anodyne COc1nccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587118463 HH Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)nc1C(F)(F)F ZINC000587118585 HH Annotated Bother COC(=O)c1cc(Br)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 ZINC000587118634 HH Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587118667 HH Annotated Mild FC(F)(F)c1ccn(Cc2cc(-c3nc4cnc(Br)cc4[nH]3)no2)n1 ZINC000587118825 HH Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4nccc(Br)c4[nH]3)no2)n1 ZINC000587118828 HH Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCn3ccc(C(F)(F)F)n3)[nH]c21 ZINC000587118857 HH Annotated Clean CCOC(=O)Cc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587118913 HH Annotated Anodyne COc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cn1 ZINC000587118916 HH Annotated Bother FC(F)(F)c1cnc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587118921 HH Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587118965 HH Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587118976 HH Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Br)cncc4[nH]3)no2)n1 ZINC000587119008 HH Annotated Anodyne COC(=O)c1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119041 HH Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587119065 HH Annotated Bother O=[N+]([O-])c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587119096 HH Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587119168 HH Annotated Bother O=[N+]([O-])c1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1[N+](=O)[O-] ZINC000587119251 HH Annotated Bother FC1(F)Oc2cc3nc(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)[nH]c3cc2O1 ZINC000587119313 HH Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)no2)n1 ZINC000587119383 HH Annotated Anodyne COC(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587119470 HH Annotated Anodyne O=C(O)c1cc(F)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119534 HH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587119544 HH Annotated Bother FC(F)(F)c1nn(CCc2nc3cc4c(cc3[nH]2)OCCO4)cc1Br ZINC000587119601 HH Annotated Anodyne O=[N+]([O-])c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1F ZINC000587119612 HH Annotated Bother O=[N+]([O-])c1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119613 HH Annotated Bother Fc1cnc(Cl)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 ZINC000587119614 HH Annotated Anodyne N#Cc1nc(Cl)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119623 HH Annotated Mild CN(C)CCOc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587119857 HH Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cncc(Br)c3[nH]2)c2c1CCCC2 ZINC000587119863 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587119892 HH Annotated Anodyne FC(F)(F)c1nn(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c2c1CCCC2 ZINC000587120002 HH Annotated Anodyne FC(F)(F)c1nn(Cc2nc3ccnc(Br)c3[nH]2)c2c1CCCC2 ZINC000587120021 HH Annotated Anodyne FC(F)(F)c1nn(Cc2nc3ccc(Br)nc3[nH]2)c2c1CCCC2 ZINC000587120070 HH Annotated Anodyne FC(F)(F)c1nn(Cc2nc3c(Br)ccnc3[nH]2)c2c1CCCC2 ZINC000587120111 HH Annotated Anodyne COC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1OC ZINC000587120146 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c3c2)NNC(=O)C1 ZINC000587120254 HH Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cc(Br)ncc3[nH]2)c2c1CCCC2 ZINC000587120273 HH Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cc(Br)cnc3[nH]2)c2c1CCCC2 ZINC000587120288 HH Annotated Anodyne COC(=O)c1cc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2cc1OC ZINC000587120325 HH Annotated Anodyne CN(C)CCOc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 ZINC000587120414 HH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587120564 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1OC ZINC000587120572 HH Annotated Anodyne Cc1c(Cl)ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 ZINC000587120633 HH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587120746 HH Annotated Mild Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587120755 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2cc1OC ZINC000587120905 HH Annotated Anodyne Cc1cc(Cl)cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 ZINC000587121145 HH Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587121166 HH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1[N+](=O)[O-] ZINC000587121179 HH Annotated Bother Cc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cc1Cl ZINC000587121226 HH Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587121447 HH Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587121457 HH Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587121471 HH Annotated Anodyne NS(=O)(=O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 ZINC000587121923 HH Annotated Anodyne NS(=O)(=O)c1cccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587121948 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2cc1OC ZINC000587122306 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2cc1OC ZINC000587122307 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2cc1OC ZINC000587122308 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2cc1OC ZINC000587122310 HH Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587123028 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1OC ZINC000587123119 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1OC ZINC000587123121 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1OC ZINC000587123124 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1OC ZINC000587123131 HH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)cc2N1 ZINC000587123219 HH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)cc2N1 ZINC000587123226 HH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)cc2N1 ZINC000587123227 HH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)cc2N1 ZINC000587123230 HH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2N1 ZINC000587123441 HH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2N1 ZINC000587123444 HH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2N1 ZINC000587123446 HH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2N1 ZINC000587123447 HH Annotated Anodyne Cc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123551 HH Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 ZINC000587123877 HH Annotated Anodyne FC(F)COc1cccc(-c2nc3cc(I)ccc3[nH]2)n1 ZINC000587123939 HH Annotated Anodyne FC(F)COc1cccc(-c2nc3c(I)cccc3[nH]2)n1 ZINC000587123973 HH Annotated Anodyne C[C@H](F)[C@@H](N)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587124289 HH Annotated Anodyne C[C@@H](F)[C@H](N)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587124290 HH Annotated Anodyne C[C@@H](F)[C@@H](N)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587124291 HH Annotated Anodyne C[C@H](F)[C@H](N)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587124292 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587124549 HH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2N1 ZINC000587124615 HH Annotated Bother C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2N1 ZINC000587124616 HH Annotated Bother C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2N1 ZINC000587124617 HH Annotated Bother C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2N1 ZINC000587124619 HH Annotated Bother Cc1cc(-c2nc3c(C#N)nc(Cl)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124718 HH Annotated Mild Cc1cc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124821 HH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccnc(Br)c4[nH]3)cc2N1 ZINC000587124888 HH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccnc(Br)c4[nH]3)cc2N1 ZINC000587124889 HH Annotated Anodyne Cc1cc(-c2nc3c(Cl)ncc(F)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125173 HH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccnc(Br)c4[nH]3)cc2N1 ZINC000587125193 HH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccnc(Br)c4[nH]3)cc2N1 ZINC000587125197 HH Annotated Anodyne COc1cc(OC)c2nc(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)[nH]c2c1 ZINC000587125224 HH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)nc4[nH]3)cc2N1 ZINC000587125293 HH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)nc4[nH]3)cc2N1 ZINC000587125295 HH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)nc4[nH]3)cc2N1 ZINC000587125298 HH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)nc4[nH]3)cc2N1 ZINC000587125300 HH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)ncc4[nH]3)cc2N1 ZINC000587125354 HH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)ncc4[nH]3)cc2N1 ZINC000587125357 HH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)ncc4[nH]3)cc2N1 ZINC000587125358 HH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)ncc4[nH]3)cc2N1 ZINC000587125359 HH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cncc(Br)c4[nH]3)cc2N1 ZINC000587125458 HH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cncc(Br)c4[nH]3)cc2N1 ZINC000587125459 HH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cncc(Br)c4[nH]3)cc2N1 ZINC000587125460 HH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cncc(Br)c4[nH]3)cc2N1 ZINC000587125461 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587125718 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587125720 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2c1 ZINC000587125724 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2c1 ZINC000587125725 HH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Br)ccnc4[nH]3)cc2N1 ZINC000587125879 HH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Br)ccnc4[nH]3)cc2N1 ZINC000587125881 HH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Br)ccnc4[nH]3)cc2N1 ZINC000587125883 HH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Br)ccnc4[nH]3)cc2N1 ZINC000587125886 HH Annotated Anodyne OC1(c2nc3cc(I)cnc3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587125895 HH Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cnc4[nH]3)cc2N1 ZINC000587125912 HH Annotated Anodyne COc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cc1F ZINC000587125913 HH Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cnc4[nH]3)cc2N1 ZINC000587125914 HH Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cnc4[nH]3)cc2N1 ZINC000587125917 HH Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cnc4[nH]3)cc2N1 ZINC000587125919 HH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1[N+](=O)[O-] ZINC000587126435 HH Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587126461 HH Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Br)cc(F)cc2[nH]1)C(F)(F)F ZINC000587126472 HH Annotated Anodyne N#Cc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1C(F)(F)F ZINC000587126526 HH Annotated Mild Cc1c(Br)ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 ZINC000587126879 HH Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(F)c(Br)cc2[nH]1)C(F)(F)F ZINC000587126943 HH Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Br)c(F)ccc2[nH]1)C(F)(F)F ZINC000587126976 HH Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(F)c(Br)ccc2[nH]1)C(F)(F)F ZINC000587127192 HH Annotated Anodyne Cc1cc(Br)c2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c1 ZINC000587127355 HH Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 ZINC000587127357 HH Annotated Anodyne COC(=O)c1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1OC ZINC000587127378 HH Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(OC(F)(F)F)cccc2[nH]1)C(F)(F)F ZINC000587127380 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(C3(O)CCC(C(F)(F)F)CC3)nc-2[nH]1 ZINC000587127476 HH Annotated Anodyne O=S(=O)(c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1)C(F)(F)F ZINC000587127498 HH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 ZINC000587127500 HH Annotated Anodyne Cc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1Br ZINC000587127533 HH Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(F)cc(Br)cc2[nH]1)C(F)(F)F ZINC000587127535 HH Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 ZINC000587127540 HH Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1OC ZINC000587127558 HH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587128064 HH Annotated Anodyne Cn1nnc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1C(F)F ZINC000587128112 HH Annotated Anodyne C[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128313 HH Annotated Anodyne C[C@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128314 HH Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 ZINC000587128445 HH Annotated Anodyne Fc1c(Br)cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1F ZINC000587128521 HH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587128569 HH Annotated Anodyne COC(=O)c1cc2nc(-c3nnn(C)c3C(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587128715 HH Annotated Anodyne Cn1nnc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1C(F)F ZINC000587128778 HH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccccc5[nH]4)nc3n2)cn1 ZINC000587129011 HH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587129033 HH Annotated Anodyne CSc1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 ZINC000587129120 HH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc3ncccc3c2[nH]1 ZINC000587129172 HH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cnc3ccccc3c2[nH]1 ZINC000587129179 HH Annotated Anodyne Cn1nnc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1C(F)F ZINC000587129257 HH Annotated Anodyne Cn1nnc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1C(F)F ZINC000587129277 HH Annotated Anodyne FC(F)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cnc2ncnn12 ZINC000587129483 HH Annotated Mild C=CCc1cccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 ZINC000587129544 HH Annotated Mild Cn1nnc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1C(F)F ZINC000587129673 HH Annotated Anodyne C[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129867 HH Annotated Reactive C[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129868 HH Annotated Reactive CC(C)OC(=O)C1(c2nc3c(Cl)c(Br)cnc3[nH]2)CC(F)(F)C1 ZINC000587130039 HH Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC(F)(F)C1 ZINC000587130113 HH Annotated Anodyne Cn1nc(-c2nc3cnc(N)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130118 HH Annotated Anodyne Cn1nc(-c2nc3c(N)nccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130321 HH Annotated Anodyne CC(C)OC(=O)C1(c2nc3c(Br)cnc(Cl)c3[nH]2)CC(F)(F)C1 ZINC000587130405 HH Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC(F)(F)C1 ZINC000587130503 HH Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C)cc5[nH]4)nc3n2)cn1 ZINC000587130609 HH Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(C)c5[nH]4)nc3n2)cn1 ZINC000587130708 HH Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1OC(F)F ZINC000587131045 HH Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)ccc1OC(F)F ZINC000587131048 HH Annotated Anodyne Cn1nc(-c2nc3cc(N)c(N)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131109 HH Annotated Anodyne Cn1nc(-c2nc3c(O)nccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131124 HH Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC(F)(F)C1 ZINC000587131137 HH Annotated Bother Cn1nc(-c2nc3nccc(N)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131144 HH Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(I)cc3[nH]2)CC(F)(F)C1 ZINC000587131450 HH Annotated Anodyne CC(C)OC(=O)C1(c2nc3cccc(I)c3[nH]2)CC(F)(F)C1 ZINC000587131490 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C(F)(F)C1 ZINC000587131742 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)C(F)(F)C1 ZINC000587131744 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3c(Br)ccnc3[nH]2)C(F)(F)C1 ZINC000587131751 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(Br)ccnc3[nH]2)C(F)(F)C1 ZINC000587131753 HH Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC(F)(F)C1 ZINC000587131788 HH Annotated Clean CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Br)nc3[nH]2)C(F)(F)C1 ZINC000587131978 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Br)nc3[nH]2)C(F)(F)C1 ZINC000587132012 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)ncc3[nH]2)C(F)(F)C1 ZINC000587132165 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)ncc3[nH]2)C(F)(F)C1 ZINC000587132166 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)cnc3[nH]2)C(F)(F)C1 ZINC000587132430 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)cnc3[nH]2)C(F)(F)C1 ZINC000587132431 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 ZINC000587132467 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1 ZINC000587132470 HH Annotated Anodyne COc1c(F)ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1N ZINC000587132609 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587132735 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 ZINC000587132736 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccnc(Br)c3[nH]2)C(F)(F)C1 ZINC000587132745 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccnc(Br)c3[nH]2)C(F)(F)C1 ZINC000587132746 HH Annotated Anodyne CC1=C(c2ccc3[nH]c(C(=O)c4c(Cl)ccc(F)c4Cl)nc3c2)NNC(=O)C1 ZINC000587132752 HH Annotated Anodyne Cc1nc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2cc1Br ZINC000587132823 HH Annotated Anodyne Cc1nc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2cc1Br ZINC000587132826 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cncc(Br)c3[nH]2)C(F)(F)C1 ZINC000587133100 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cncc(Br)c3[nH]2)C(F)(F)C1 ZINC000587133101 HH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 ZINC000587133143 HH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12 ZINC000587133144 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3c(F)cnc(Br)c3[nH]2)C(F)(F)C1 ZINC000587133171 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)C(F)(F)C1 ZINC000587133172 HH Annotated Anodyne COc1c(F)ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1N ZINC000587133387 HH Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134009 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4c(F)c(F)c(S)c(F)c4F)[nH]c3c2)NNC(=O)C1 ZINC000587134107 HH Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587134637 HH Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134657 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)c(OC)c3N)nc2c1 ZINC000587135052 HH Annotated Anodyne Nc1c(F)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1F ZINC000587135231 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587135359 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587135360 HH Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1F ZINC000587136238 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(F)c(F)c(N)c3F)nc2c1 ZINC000587136249 HH Annotated Anodyne Cc1cc(N(C)Cc2nc3c(F)cnc(Br)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136598 HH Annotated Bother CC1=C(c2ccc3nc(-c4cc(OC(C)(C)C)c(F)cc4N)[nH]c3c2)NNC(=O)C1 ZINC000587136600 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 ZINC000587136625 HH Annotated Anodyne Cc1cc(N(C)Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c([N+](=O)[O-])cc1F ZINC000587136969 HH Annotated Bother CCOC(=O)Cc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587137014 HH Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1 ZINC000587137166 HH Annotated Bother Cc1cc(Br)c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1F ZINC000587137945 HH Annotated Anodyne Fc1cc(CCc2nc3cc(I)cnc3[nH]2)cc(F)c1F ZINC000587138305 HH Annotated Anodyne N=c1[nH]c2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc-2c(Cl)[nH]1 ZINC000587138430 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1 ZINC000587138874 HH Annotated Anodyne N=c1[nH]c2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc-2c(Cl)[nH]1 ZINC000587138968 HH Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c(F)c2)c1 ZINC000587139008 HH Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)ccc2F)cc1F ZINC000587139032 HH Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(O)nc(S)nc4[nH]3)c(F)c2)c1 ZINC000587139229 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(Cl)cc([N+](=O)[O-])c4F)[nH]c3c2)NNC(=O)C1 ZINC000587139400 HH Annotated Bother O=C(O)c1ccc(-c2cc(-c3nc4c(O)nc(S)nc4[nH]3)ccc2F)cc1F ZINC000587139729 HH Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(I)cnc3[nH]2)c1F ZINC000587139877 HH Annotated Bother OCc1ccc(F)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587139946 HH Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2nc(Cl)c[nH]c-2n1)c1cc(F)ccc1F ZINC000587139947 HH Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1F ZINC000587139959 HH Annotated Bother COc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cn1 ZINC000587139975 HH Annotated Anodyne COc1cncc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 ZINC000587140462 HH Annotated Anodyne OCc1ccc(F)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587140575 HH Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccnc(O)c2[nH]1 ZINC000587140685 HH Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccnc(O)c2[nH]1 ZINC000587140686 HH Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(F)cnc2[nH]1 ZINC000587141316 HH Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(F)cnc2[nH]1 ZINC000587141317 HH Annotated Anodyne Nc1ccc(F)c(Cc2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587141596 HH Annotated Anodyne COc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2n1 ZINC000587141623 HH Annotated Anodyne Nc1ccc(F)c(Cc2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587141648 HH Annotated Anodyne N[C@@H](Cc1nc2ccnc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142512 HH Annotated Anodyne N[C@H](Cc1nc2ccnc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142513 HH Annotated Anodyne N[C@H](Cc1nc2c(Br)ccnc2[nH]1)c1ccc(Br)cc1F ZINC000587142529 HH Annotated Anodyne N[C@@H](Cc1nc2c(Br)ccnc2[nH]1)c1ccc(Br)cc1F ZINC000587142530 HH Annotated Anodyne N[C@H](Cc1nc2cc(Br)cnc2[nH]1)c1ccc(Br)cc1F ZINC000587142642 HH Annotated Anodyne N[C@@H](Cc1nc2cc(Br)cnc2[nH]1)c1ccc(Br)cc1F ZINC000587142643 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc(Br)cc4F)[nH]c3c2)NNC(=O)C1 ZINC000587142660 HH Annotated Anodyne N[C@@H](Cc1nc2cc(Br)ncc2[nH]1)c1ccc(Br)cc1F ZINC000587142685 HH Annotated Anodyne N[C@H](Cc1nc2cc(Br)ncc2[nH]1)c1ccc(Br)cc1F ZINC000587142686 HH Annotated Anodyne N[C@@H](Cc1nc2ccc(Br)nc2[nH]1)c1ccc(Br)cc1F ZINC000587142699 HH Annotated Anodyne N[C@H](Cc1nc2ccc(Br)nc2[nH]1)c1ccc(Br)cc1F ZINC000587142700 HH Annotated Anodyne N[C@H](Cc1nc2cncc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142873 HH Annotated Anodyne N[C@@H](Cc1nc2cncc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142874 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)nc12 ZINC000587143305 HH Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2F)c1 ZINC000587143499 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)[nH]c2n1 ZINC000587143555 HH Annotated Anodyne COc1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143841 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)nc12 ZINC000587143887 HH Annotated Anodyne N[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1F ZINC000587143974 HH Annotated Bother N[C@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1F ZINC000587143977 HH Annotated Bother COC(=O)c1ccnc2[nH]c(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)nc12 ZINC000587143986 HH Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1F ZINC000587143994 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587144041 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587144042 HH Annotated Anodyne COc1cc(-c2nc3c(O)nc(S)nc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144165 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2n1 ZINC000587144169 HH Annotated Anodyne N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(Br)cc1F ZINC000587144301 HH Annotated Anodyne N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(Br)cc1F ZINC000587144303 HH Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2F)c1 ZINC000587144393 HH Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1F ZINC000587144516 HH Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2cn1 ZINC000587144632 HH Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1OC ZINC000587144634 HH Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1OC ZINC000587144636 HH Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3c(S)nc(S)nc3[nH]2)cc1F ZINC000587144863 HH Annotated Anodyne N[C@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccc(Br)cc1F ZINC000587144871 HH Annotated Anodyne N[C@@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccc(Br)cc1F ZINC000587144872 HH Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587144944 HH Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587144945 HH Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2cc1OC ZINC000587144990 HH Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2cc1OC ZINC000587144991 HH Annotated Anodyne CN(C)CCOc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587145348 HH Annotated Anodyne CN(C)CCOc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587145349 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)[nH]c2n1 ZINC000587147006 HH Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000587147049 HH Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(C(N)=O)c4[nH]3)cc2)cc1F ZINC000587147225 HH Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(O)nc(S)nc4[nH]3)c(F)c2)c1 ZINC000587147480 HH Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c(F)c2)c1 ZINC000587147657 HH Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000587147674 HH Annotated Anodyne O=C1C[C@H](c2nc3cncc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147846 HH Annotated Anodyne O=C1C[C@@H](c2nc3cncc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147849 HH Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2)cc1F ZINC000587147852 HH Annotated Anodyne O=C1C[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147863 HH Annotated Bother O=C1C[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147871 HH Annotated Bother Cc1nc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2cc1Br ZINC000587147890 HH Annotated Anodyne Cc1nc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2cc1Br ZINC000587147891 HH Annotated Anodyne O=C1C[C@H](c2nc3ccc(Br)nc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147901 HH Annotated Anodyne O=C1C[C@@H](c2nc3ccc(Br)nc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147902 HH Annotated Anodyne O=C1C[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148027 HH Annotated Anodyne O=C1C[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148032 HH Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4cc(-c5ccc(F)c(F)c5)nn4C)nc3c2)NNC(=O)C1 ZINC000587148073 HH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 ZINC000587148223 HH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12 ZINC000587148224 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1 ZINC000587148480 HH Annotated Bother O=C(O)c1cc(Br)cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587148522 HH Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1F ZINC000587148523 HH Annotated Bother O=C1C[C@H](c2nc3cc(Br)cnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148625 HH Annotated Anodyne O=C1C[C@@H](c2nc3cc(Br)cnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148627 HH Annotated Anodyne O=C1C[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CN1Cc1ccc(F)cc1F ZINC000587148643 HH Annotated Anodyne O=C1C[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CN1Cc1ccc(F)cc1F ZINC000587148644 HH Annotated Anodyne O=C1C[C@H](c2nc3cc(Br)ncc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148647 HH Annotated Anodyne O=C1C[C@@H](c2nc3cc(Br)ncc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148648 HH Annotated Anodyne O=C1C[C@H](c2nc3ccnc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148680 HH Annotated Anodyne O=C1C[C@@H](c2nc3ccnc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148682 HH Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cccc(I)c3[nH]2)cc1F ZINC000587148925 HH Annotated Bother Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587149142 HH Annotated Bother COc1ccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)c(F)c1 ZINC000587149424 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)c3ccc(F)cc3F)nc2c1 ZINC000587149446 HH Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1F ZINC000587149460 HH Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1F ZINC000587149467 HH Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3ccc(I)cc3[nH]2)cc1F ZINC000587149496 HH Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c21 ZINC000587149552 HH Annotated Clean O=C1C[C@H](c2nc3ccc(Br)c(O)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149684 HH Annotated Anodyne O=C1C[C@@H](c2nc3ccc(Br)c(O)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149685 HH Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1F ZINC000587150048 HH Annotated Bother N[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(F)cc1F ZINC000587150160 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 ZINC000587150338 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1 ZINC000587150339 HH Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587150688 HH Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 ZINC000587150690 HH Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 ZINC000587151323 HH Annotated Anodyne O=C1C[C@H](c2nc3c(Br)ccnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587151404 HH Annotated Anodyne O=C1C[C@@H](c2nc3c(Br)ccnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587151406 HH Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(I)cnc2[nH]1 ZINC000587151581 HH Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(I)cnc2[nH]1 ZINC000587151584 HH Annotated Anodyne N[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(F)cc1F ZINC000587152021 HH Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c(F)c2)c(F)c1 ZINC000587152333 HH Annotated Anodyne Oc1ncnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc12 ZINC000587152927 HH Annotated Anodyne Nc1ncnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc12 ZINC000587153627 HH Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ncc[nH]c-3n2)n1-c1ccccc1 ZINC000587153693 HH Annotated Anodyne Oc1nncc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153695 HH Annotated Anodyne O=C(COc1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1)Nc1ccccc1F ZINC000587153739 HH Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2c1 ZINC000587153815 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2c1 ZINC000587153816 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2c1 ZINC000587153817 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2c1 ZINC000587153818 HH Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cn1 ZINC000587153946 HH Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000587153986 HH Annotated Anodyne C[C@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154029 HH Annotated Anodyne C[C@@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154030 HH Annotated Anodyne CCCc1nc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)nn1-c1ccccc1F ZINC000587154324 HH Annotated Bother O=C(O)c1cccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 ZINC000587154417 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2n1 ZINC000587154813 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(F)c(Br)n3)nc-2[nH]1 ZINC000587154984 HH Annotated Anodyne Fc1ccc(-c2nc3ncc(I)cc3[nH]2)nc1Br ZINC000587155013 HH Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cc(I)cnc2[nH]1 ZINC000587155082 HH Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 ZINC000587155083 HH Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5nn(C)c(O)c5F)[nH]c4c3)o2)cc1 ZINC000587155399 HH Annotated Anodyne O=C(COc1ccccc1-c1nc2ccc(CCO)cc2[nH]1)Nc1ccccc1F ZINC000587155403 HH Annotated Anodyne O=C(COc1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1)Nc1ccccc1F ZINC000587155466 HH Annotated Bother COC(=O)c1ccnc2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc12 ZINC000587155544 HH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ncc(Br)cc3F)[nH]c12 ZINC000587155871 HH Annotated Anodyne COc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)nn1-c1ccccc1F ZINC000587155910 HH Annotated Anodyne COc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)nn1-c1ccccc1F ZINC000587156478 HH Annotated Anodyne CCCc1nc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)nn1-c1ccccc1F ZINC000587156523 HH Annotated Anodyne CCCc1nc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)nn1-c1ccccc1F ZINC000587156680 HH Annotated Anodyne CCCc1nc(-c2nc3cc(C(=O)OC)c(OC)cc3[nH]2)nn1-c1ccccc1F ZINC000587156835 HH Annotated Anodyne CCCc1nc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)nn1-c1ccccc1F ZINC000587156876 HH Annotated Anodyne COc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cn1 ZINC000587157150 HH Annotated Anodyne COc1nccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157180 HH Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cnc(Cl)[nH]c-4n3)o2)c1 ZINC000587157392 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ncc(Br)cc3F)nc-2[nH]1 ZINC000587157893 HH Annotated Anodyne OCc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157960 HH Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c(Cl)ncnc4[nH]3)o2)c1 ZINC000587158239 HH Annotated Anodyne C[C@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C=C(c2ccccc2F)NO1 ZINC000587158251 HH Annotated Anodyne C[C@@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C=C(c2ccccc2F)NO1 ZINC000587158259 HH Annotated Anodyne COc1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2n1 ZINC000587158294 HH Annotated Anodyne COc1cncc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587158380 HH Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc(I)c2[nH]1 ZINC000587158449 HH Annotated Bother Fc1ccc(Br)c(-c2nnc(CCc3nc4nc(Cl)c[nH]c-4n3)o2)c1 ZINC000587158453 HH Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(F)cnc4[nH]3)o2)c1 ZINC000587158555 HH Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587158789 HH Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(I)cc2[nH]1 ZINC000587158810 HH Annotated Bother COC(=O)c1cc(Br)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1 ZINC000587159198 HH Annotated Bother O=C(O)c1cc(Br)cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 ZINC000587159241 HH Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c21 ZINC000587159759 HH Annotated Clean O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587159789 HH Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587160163 HH Annotated Bother Fc1cccc(Cn2nnc(-c3nc4cc(Br)ncc4[nH]3)c2Cl)c1 ZINC000587160307 HH Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4ccc(Br)nc4[nH]3)c2Cl)c1 ZINC000587160493 HH Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4ccnc(Br)c4[nH]3)c2Cl)c1 ZINC000587160569 HH Annotated Anodyne Oc1ncnc2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc12 ZINC000587160686 HH Annotated Anodyne Nc1ncnc2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc12 ZINC000587160693 HH Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2Cl)c1 ZINC000587160761 HH Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2Cl)c1 ZINC000587160801 HH Annotated Anodyne Oc1nncc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587161056 HH Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cncc(Br)c4[nH]3)c2Cl)c1 ZINC000587161124 HH Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4c(Br)ccnc4[nH]3)c2Cl)c1 ZINC000587161167 HH Annotated Anodyne Oc1nc(O)c2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2n1 ZINC000587161182 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(F)cc(Br)c4)[nH]c3c2)NNC(=O)C1 ZINC000587161257 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 ZINC000587161912 HH Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(Br)cnc4[nH]3)c2Cl)c1 ZINC000587162180 HH Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)Nc1cccc(F)c1 ZINC000587162316 HH Annotated Anodyne O=C1CC=C(c2nc3ccc(F)c(Br)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162435 HH Annotated Anodyne O=C1CC=C(c2nc3ccc(OC(F)(F)F)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162463 HH Annotated Anodyne O=C(CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)Nc1cccc(F)c1 ZINC000587162812 HH Annotated Bother CN(C)CCOc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 ZINC000587162997 HH Annotated Anodyne O=C(CCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)Nc1cccc(F)c1 ZINC000587163164 HH Annotated Anodyne O=C1CC=C(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163173 HH Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12 ZINC000587163191 HH Annotated Anodyne O=C1CC=C(c2nc3ccc(Br)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163293 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCC(=O)Nc3cccc(F)c3)nc2c1 ZINC000587163315 HH Annotated Anodyne N#Cc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1C(F)(F)F ZINC000587163379 HH Annotated Mild O=C(CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Nc1cccc(F)c1 ZINC000587163581 HH Annotated Bother O=C1CC=C(c2nc3cc(Br)c(F)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163980 HH Annotated Anodyne O=C1CC=C(c2nc3ccc(Br)c(F)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163982 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc2c1 ZINC000587163989 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc2c1 ZINC000587163992 HH Annotated Anodyne O=C1CC=C(c2nc3cc(Br)cc(F)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164007 HH Annotated Anodyne O=C(CCc1nc2ccc(I)cc2[nH]1)Nc1cccc(F)c1 ZINC000587164112 HH Annotated Anodyne O=C1CC=C(c2nc3cccc(OC(F)(F)F)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164365 HH Annotated Anodyne O=C1CC=C(c2nc3cccc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164583 HH Annotated Anodyne O=C1CC=C(c2nc3cc(F)cc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164621 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(Cn3cc(-c4ccc(F)cc4)cn3)nc-2[nH]1 ZINC000587165039 HH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccnc(N)c3[nH]2)c1C ZINC000587165517 HH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(N)ncc3[nH]2)c1C ZINC000587165586 HH Annotated Anodyne Oc1ncnc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc12 ZINC000587165603 HH Annotated Anodyne O=C1COc2cc3[nH]c(Cc4csc5nc(-c6ccc(F)cc6)cn45)nc3cc2N1 ZINC000587165787 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc12 ZINC000587165799 HH Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(-n6cnnn6)cc5[nH]4)csc3n2)cc1 ZINC000587165929 HH Annotated Anodyne Oc1nncc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587166018 HH Annotated Anodyne Cc1c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166076 HH Annotated Anodyne COC(=O)c1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cn1 ZINC000587166177 HH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(N)ccnc3[nH]2)c1C ZINC000587166260 HH Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccnc(O)c3[nH]2)c1C ZINC000587166441 HH Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2n1 ZINC000587166494 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\C(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587166757 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/C(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587166758 HH Annotated Anodyne COc1cncc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587166903 HH Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587166906 HH Annotated Anodyne COc1nccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167103 HH Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587167215 HH Annotated Anodyne N#Cc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1C#N ZINC000587167243 HH Annotated Mild O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587167246 HH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167271 HH Annotated Bother O=C(O)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167459 HH Annotated Anodyne CN(C)CCOc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587167647 HH Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(CO)cc2[nH]1 ZINC000587167660 HH Annotated Anodyne COc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cn1 ZINC000587167675 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1OC ZINC000587167754 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2cc1OC ZINC000587167766 HH Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1[N+](=O)[O-] ZINC000587167782 HH Annotated Bother CCOC(=O)Cc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587167798 HH Annotated Anodyne O=C(/C=C/c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)Nc1ccc(F)cc1 ZINC000587167827 HH Annotated Anodyne O=C(/C=C\c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)Nc1ccc(F)cc1 ZINC000587167828 HH Annotated Anodyne Fc1ccc(OCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587167994 HH Annotated Anodyne COc1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2n1 ZINC000587168060 HH Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000587168128 HH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587168176 HH Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587168177 HH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587168208 HH Annotated Bother Fc1ccc(-n2nnc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2C2CC2)cc1 ZINC000587168253 HH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1OC ZINC000587168483 HH Annotated Anodyne COC(=O)c1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1OC ZINC000587168484 HH Annotated Anodyne O=C(O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000587168504 HH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(Cl)ccnc2[nH]1)c1ccc(F)cc1 ZINC000587169337 HH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(Cl)ccnc2[nH]1)c1ccc(F)cc1 ZINC000587169338 HH Annotated Anodyne N#Cc1cccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169354 HH Annotated Mild N#Cc1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169355 HH Annotated Mild CN(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169402 HH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cncc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587169646 HH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cncc(Cl)c2[nH]1)c1ccc(F)cc1 ZINC000587169647 HH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Cl)cnc2[nH]1)c1ccc(F)cc1 ZINC000587169657 HH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Cl)cnc2[nH]1)c1ccc(F)cc1 ZINC000587169658 HH Annotated Anodyne Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587169724 HH Annotated Anodyne COc1cccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169783 HH Annotated Anodyne COc1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169784 HH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587169993 HH Annotated Bother CN(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170085 HH Annotated Bother O=S(=O)(Nc1ccsc1-c1nc2cc3c(cc2[nH]1)OCO3)c1ccc(F)cc1 ZINC000587170111 HH Annotated Anodyne Cc1cc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c(C)n1 ZINC000587170224 HH Annotated Anodyne Cc1cc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c(C)n1 ZINC000587170230 HH Annotated Anodyne Cc1cc(Br)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000587170233 HH Annotated Anodyne COc1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2n1 ZINC000587170252 HH Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587170540 HH Annotated Bother O=C(O)c1cc(Br)cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587170541 HH Annotated Anodyne CN(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170797 HH Annotated Anodyne Fc1cc2c(c(Cc3nc4cccc(I)c4[nH]3)c1)OCOC2 ZINC000587170842 HH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(Cl)nc2[nH]1)c1ccc(F)cc1 ZINC000587170935 HH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(Cl)nc2[nH]1)c1ccc(F)cc1 ZINC000587170937 HH Annotated Anodyne COc1cncc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587171049 HH Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587171081 HH Annotated Bother O=C(O)c1cccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587171117 HH Annotated Anodyne O=c1c(-c2nc3nc(Br)c[nH]c-3n2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171202 HH Annotated Anodyne Fc1cc2c(c(Cc3nc4ccc(I)cc4[nH]3)c1)OCOC2 ZINC000587171324 HH Annotated Anodyne Cc1c(Br)ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587171357 HH Annotated Anodyne Cc1cc(Br)cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587171367 HH Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171396 HH Annotated Anodyne CN(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171411 HH Annotated Bother CC(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587171436 HH Annotated Anodyne CC(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587171437 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2c1 ZINC000587171627 HH Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(F)cc1 ZINC000587171688 HH Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(F)cc1 ZINC000587171689 HH Annotated Anodyne O=c1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171753 HH Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3cc(F)cc4c3OCOC4)[nH]c21 ZINC000587171816 HH Annotated Clean CN(C)C(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 ZINC000587172222 HH Annotated Anodyne O=c1c(-c2nc3c(S)nc(S)nc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172597 HH Annotated Anodyne C[C@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172856 HH Annotated Anodyne C[C@@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587172857 HH Annotated Anodyne C[C@]1(c2nc3cc(C#N)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173382 HH Annotated Mild C[C@@]1(c2nc3cc(C#N)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173384 HH Annotated Mild C[C@@]1(c2nc3ccc(I)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174197 HH Annotated Anodyne C[C@]1(c2nc3ccc(I)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174200 HH Annotated Anodyne C[C@@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174962 HH Annotated Anodyne C[C@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174963 HH Annotated Anodyne C[C@@]1(c2nc3cccc(I)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175357 HH Annotated Anodyne C[C@]1(c2nc3cccc(I)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587175358 HH Annotated Anodyne COc1ncc(F)cc1-c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000587175415 HH Annotated Anodyne Fc1cccc2c(-c3nc4c(Cl)ncc(I)c4[nH]3)n[nH]c12 ZINC000587176296 HH Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587176671 HH Annotated Anodyne Nc1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cnc2c(F)cccc12 ZINC000587176823 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2c1 ZINC000587177184 HH Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 ZINC000587177634 HH Annotated Anodyne Fc1cc(-c2nc3ccc(I)cc3[nH]2)cc(N2CCCC2)n1 ZINC000587177644 HH Annotated Anodyne Fc1cc(-c2nc3cccc(I)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177645 HH Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587177982 HH Annotated Unstable O=C(O)c1cc(Br)cc2nc(-c3cc(Br)cnc3F)[nH]c12 ZINC000587177987 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 ZINC000587178096 HH Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587178163 HH Annotated Unstable Fc1ncc(Br)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587178214 HH Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(Br)cnc3F)nc-2[nH]1 ZINC000587178249 HH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000587178416 HH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587178675 HH Annotated Anodyne COc1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cc1C ZINC000587178687 HH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587178743 HH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587178799 HH Annotated Bother COc1cc(N)c(I)cc1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000587178866 HH Annotated Anodyne COc1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cc1F ZINC000587178915 HH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000587178953 HH Annotated Anodyne Nc1nccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587179054 HH Annotated Anodyne Oc1nccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587179323 HH Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(I)c1 ZINC000587179440 HH Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(I)c1 ZINC000587179453 HH Annotated Anodyne COc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)c(I)c1 ZINC000587179463 HH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000587179468 HH Annotated Anodyne Nc1ccnc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12 ZINC000587179493 HH Annotated Anodyne Nc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cn1 ZINC000587179542 HH Annotated Anodyne COc1ccc(-c2nc3cc(OC)cc(OC)c3[nH]2)c(I)c1 ZINC000587179598 HH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587179708 HH Annotated Anodyne COc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(I)c1 ZINC000587179799 HH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc3[nH]ncc3cc2[nH]1 ZINC000587179861 HH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc3[nH]ncc3cc2[nH]1 ZINC000587179868 HH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])cccc2[nH]1 ZINC000587179999 HH Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])cccc2[nH]1 ZINC000587180001 HH Annotated Bother COc1ccc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(I)c1 ZINC000587180101 HH Annotated Mild COc1cc(N)c(I)cc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587180263 HH Annotated Mild COc1ccc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c(I)c1 ZINC000587180457 HH Annotated Mild COc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(I)c1 ZINC000587180534 HH Annotated Bother COC(=O)c1cccc2nc(-c3ccc(OC)cc3I)[nH]c12 ZINC000587180543 HH Annotated Anodyne Cn1nc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(I)c1C(=O)O ZINC000587180583 HH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc([C@@H](N)N=O)ccc2[nH]1 ZINC000587180597 HH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc([C@H](N)N=O)ccc2[nH]1 ZINC000587180598 HH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc([C@@H](N)N=O)ccc2[nH]1 ZINC000587180599 HH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc([C@H](N)N=O)ccc2[nH]1 ZINC000587180600 HH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587180666 HH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587180668 HH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587180674 HH Annotated Mild CC[C@H](C)n1ncc(I)c1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587180677 HH Annotated Mild Cn1nc(C(=O)O)c(I)c1-c1nc2cc(C(C)(C)C)ccc2[nH]1 ZINC000587180699 HH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc3[nH]c(O)nc3cc2[nH]1 ZINC000587180717 HH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc3[nH]c(O)nc3cc2[nH]1 ZINC000587180722 HH Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587180988 HH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(CCO)ccc2[nH]1 ZINC000587181188 HH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(CCO)ccc2[nH]1 ZINC000587181194 HH Annotated Anodyne Cn1nc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(I)c1C(=O)O ZINC000587181468 HH Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587181614 HH Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587181615 HH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587181711 HH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587181712 HH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc3ncccc3c2[nH]1 ZINC000587181864 HH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc3ncccc3c2[nH]1 ZINC000587181865 HH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587181903 HH Annotated Mild Cc1c(I)cnn1[C@@H](C)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587181904 HH Annotated Mild Cc1cnc(Cl)c2[nH]c([C@@H](C)n3ncc(I)c3C)nc12 ZINC000587181908 HH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](C)n3ncc(I)c3C)nc12 ZINC000587181909 HH Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cn1 ZINC000587182005 HH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587182011 HH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587182012 HH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587182056 HH Annotated Bother Fc1ccc(I)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587182062 HH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587182181 HH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587182182 HH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587182417 HH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587182418 HH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587182539 HH Annotated Bother O=C1CCc2cc3nc(-c4cc(I)ccc4F)[nH]c3cc2N1 ZINC000587182680 HH Annotated Anodyne COc1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2cc1Cl ZINC000587182765 HH Annotated Anodyne COc1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2cc1Cl ZINC000587182768 HH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587182855 HH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587182857 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2n1 ZINC000587182898 HH Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cc(I)ccc3F)[nH]c12 ZINC000587183004 HH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587183030 HH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587183033 HH Annotated Anodyne COc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1C ZINC000587183055 HH Annotated Anodyne COc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1C ZINC000587183057 HH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587183226 HH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587183237 HH Annotated Anodyne Sc1nc(S)c2nc(-c3cc(I)ccc3Cl)[nH]c2n1 ZINC000587183280 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(I)ccc3Cl)nc12 ZINC000587183342 HH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587183414 HH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587183415 HH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587183433 HH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587183434 HH Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cnc3ccccc3c2[nH]1 ZINC000587183461 HH Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cnc3ccccc3c2[nH]1 ZINC000587183462 HH Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587183494 HH Annotated Bother N#Cc1cc(Cl)c2[nH]c([C@H](N)Cc3ccc(I)cc3)nc2c1 ZINC000587183499 HH Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc2c1 ZINC000587183504 HH Annotated Mild Sc1nc(S)c2nc(-c3cc(Cl)cc(I)c3)[nH]c2n1 ZINC000587183686 HH Annotated Anodyne COC(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2n1 ZINC000587183695 HH Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2n1 ZINC000587183696 HH Annotated Anodyne Sc1nc(S)c2nc(/C=C\c3cccc(I)c3)[nH]c2n1 ZINC000587183757 HH Annotated Anodyne Sc1nc(S)c2nc(/C=C/c3cccc(I)c3)[nH]c2n1 ZINC000587183761 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2n1 ZINC000587183762 HH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587183764 HH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587183766 HH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587183886 HH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587183887 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(Cl)cc(I)c3)nc12 ZINC000587183926 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(/C=C/c3cccc(I)c3)nc12 ZINC000587183948 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(/C=C\c3cccc(I)c3)nc12 ZINC000587183949 HH Annotated Anodyne O=C1COc2cc3[nH]c(/C=C\c4cccc(I)c4)nc3cc2N1 ZINC000587184132 HH Annotated Anodyne O=C1COc2cc3[nH]c(/C=C/c4cccc(I)c4)nc3cc2N1 ZINC000587184133 HH Annotated Anodyne Oc1c(Br)ccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184145 HH Annotated Anodyne CC[C@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 ZINC000587184247 HH Annotated Bother CC[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 ZINC000587184248 HH Annotated Bother CC[C@H](c1nc2cc(F)c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184573 HH Annotated Anodyne CC[C@@H](c1nc2cc(F)c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184574 HH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](N)Cc3ccc(I)cc3)nc12 ZINC000587184725 HH Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc12 ZINC000587184727 HH Annotated Anodyne Brc1cccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184732 HH Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cn1 ZINC000587184788 HH Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cn1 ZINC000587184790 HH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587184845 HH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587184846 HH Annotated Anodyne Brc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 ZINC000587184979 HH Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3cncc(I)c3)nc12 ZINC000587185038 HH Annotated Anodyne CC[C@@H](c1nc2ccc(Cl)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587185039 HH Annotated Anodyne CC[C@H](c1nc2ccc(Cl)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587185044 HH Annotated Anodyne COc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1F ZINC000587185075 HH Annotated Anodyne COc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1F ZINC000587185080 HH Annotated Anodyne Cc1nc2[nH]c(-c3cncc(I)c3)nc2cc1Br ZINC000587185162 HH Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587185225 HH Annotated Bother Oc1nc2cc3nc(/C=C\c4cccc(I)c4)[nH]c3cc2[nH]1 ZINC000587185248 HH Annotated Anodyne Oc1nc2cc3nc(/C=C/c4cccc(I)c4)[nH]c3cc2[nH]1 ZINC000587185249 HH Annotated Anodyne CC[C@@H](c1nc2c(Cl)ccnc2[nH]1)n1cc(I)c(C)n1 ZINC000587185262 HH Annotated Anodyne CC[C@H](c1nc2c(Cl)ccnc2[nH]1)n1cc(I)c(C)n1 ZINC000587185263 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587185303 HH Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587185413 HH Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587185414 HH Annotated Anodyne CC[C@@H](c1nc2cc3cn[nH]c3cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185501 HH Annotated Anodyne CC[C@H](c1nc2cc3cn[nH]c3cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185502 HH Annotated Anodyne CC[C@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185709 HH Annotated Bother CC[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185710 HH Annotated Bother O=[N+]([O-])c1cc2nc(-c3cncc(I)c3)[nH]c2cc1Cl ZINC000587185766 HH Annotated Bother CC[C@@H](c1nc2ccc(C(C)=O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185776 HH Annotated Anodyne CC[C@H](c1nc2ccc(C(C)=O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185778 HH Annotated Anodyne CC[C@@H](c1nc2cc(OC)c(C)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185787 HH Annotated Anodyne CC[C@H](c1nc2cc(OC)c(C)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185791 HH Annotated Anodyne Cc1cc2[nH]c([C@H](N)Cc3ccc(I)cc3)nc2cc1[N+](=O)[O-] ZINC000587185825 HH Annotated Bother Cc1cc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc2cc1[N+](=O)[O-] ZINC000587185830 HH Annotated Bother CC[C@H](c1nc2c(F)cnc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185855 HH Annotated Anodyne CC[C@@H](c1nc2c(F)cnc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185858 HH Annotated Anodyne CC[C@@H](c1nc2ccnc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185877 HH Annotated Anodyne CC[C@H](c1nc2ccnc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185879 HH Annotated Anodyne Fc1ccc2nc(-c3nccnc3I)[nH]c2c1Br ZINC000587186015 HH Annotated Anodyne Fc1cc2[nH]c(-c3cncc(I)c3)nc2cc1-n1cccn1 ZINC000587186022 HH Annotated Anodyne Fc1cc2[nH]c(-c3nccnc3I)nc2cc1C(F)(F)F ZINC000587186040 HH Annotated Anodyne CC[C@H](c1nc2cc(OC)c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186106 HH Annotated Anodyne CC[C@@H](c1nc2cc(OC)c(F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186107 HH Annotated Anodyne CC[C@H](c1nc2ccc(F)c(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186122 HH Annotated Anodyne CC[C@@H](c1nc2ccc(F)c(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186123 HH Annotated Anodyne CC[C@H](c1nc2cncc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186130 HH Annotated Anodyne CC[C@@H](c1nc2cncc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186131 HH Annotated Anodyne Fc1cc2[nH]c(-c3nccnc3I)nc2cc1Br ZINC000587186294 HH Annotated Anodyne Cc1cc2nc(-c3nccnc3I)[nH]c2cc1Br ZINC000587186339 HH Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186343 HH Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186408 HH Annotated Anodyne CC[C@H](c1nc2cc(Cl)ncc2[nH]1)n1cc(I)c(C)n1 ZINC000587186410 HH Annotated Anodyne CC[C@@H](c1nc2cc(Cl)ncc2[nH]1)n1cc(I)c(C)n1 ZINC000587186411 HH Annotated Anodyne CC[C@H](c1nc2cc(F)cc(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186420 HH Annotated Anodyne CC[C@@H](c1nc2cc(F)cc(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186421 HH Annotated Anodyne CC[C@H](c1nc2cc(Cl)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186442 HH Annotated Anodyne CC[C@@H](c1nc2cc(Cl)cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186443 HH Annotated Anodyne Cc1cc(Br)cc2nc(-c3nccnc3I)[nH]c12 ZINC000587186647 HH Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587186658 HH Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186674 HH Annotated Anodyne Ic1nccnc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587186676 HH Annotated Bother N#Cc1cc2nc(-c3nccnc3I)[nH]c2cc1C(F)(F)F ZINC000587186687 HH Annotated Mild Cc1cc(Br)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186719 HH Annotated Anodyne Fc1cc(Br)cc2nc(-c3nccnc3I)[nH]c12 ZINC000587186743 HH Annotated Anodyne Ic1nccnc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587186744 HH Annotated Bother Fc1c(Br)ccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186767 HH Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccc4ncc(I)n4c3)nc12 ZINC000587186780 HH Annotated Anodyne Cc1c(Br)ccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186848 HH Annotated Anodyne Cc1cc2[nH]c(-c3ccc4ncc(I)n4c3)nc2cc1[N+](=O)[O-] ZINC000587187143 HH Annotated Bother O=[N+]([O-])c1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1F ZINC000587187383 HH Annotated Bother COc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1F ZINC000587187391 HH Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3ccc4ncc(I)n4c3)nc12 ZINC000587187926 HH Annotated Anodyne COc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1C ZINC000587188144 HH Annotated Anodyne Fc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c(F)c1F ZINC000587188409 HH Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587189436 HH Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587189441 HH Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587189670 HH Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587189671 HH Annotated Anodyne Clc1ncc(I)c2[nH]c(C=NOCc3ccccc3)nc12 ZINC000587190272 HH Annotated Mild N#Cc1ccc(OCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587190725 HH Annotated Mild C=C(CN(C)C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587191178 HH Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587191532 HH Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587191533 HH Annotated Anodyne N#Cc1ccc(OCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587191668 HH Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc(C#N)cc3)nc2c1 ZINC000587191751 HH Annotated Mild O=C(O)CCN(CCc1nc2ccc(Br)c(O)c2[nH]1)Cc1ccccc1 ZINC000587193307 HH Annotated Anodyne C#CCN(Cc1nc2ncc[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193387 HH Annotated Mild O=C(O)CCN(CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)Cc1ccccc1 ZINC000587193390 HH Annotated Bother O=C(O)CCN(CCc1nc2ccc(Br)c(F)c2[nH]1)Cc1ccccc1 ZINC000587193416 HH Annotated Anodyne O=C(O)CCN(CCc1nc2cc(Br)cc(F)c2[nH]1)Cc1ccccc1 ZINC000587193423 HH Annotated Anodyne CN(CCc1nc2c(N)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193497 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2c1 ZINC000587193547 HH Annotated Anodyne O=C(O)CCN(CCc1nc2cc(Br)c(F)cc2[nH]1)Cc1ccccc1 ZINC000587193573 HH Annotated Anodyne C#CCN(Cc1nc2cc(N)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193591 HH Annotated Mild C#CCN(Cc1nc2ccnc(N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193600 HH Annotated Mild O=C(O)CCN(CCc1nc2cccc(OC(F)(F)F)c2[nH]1)Cc1ccccc1 ZINC000587193629 HH Annotated Anodyne O=C(O)CCN(CCc1nc2cccc(Br)c2[nH]1)Cc1ccccc1 ZINC000587193630 HH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587193655 HH Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587193659 HH Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc12 ZINC000587193667 HH Annotated Anodyne C#CCN(Cc1nc2cncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193671 HH Annotated Mild C#CCN(Cc1nc2c(N)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193824 HH Annotated Mild O=C(O)CCN(CCc1nc2cc(F)cc(Br)c2[nH]1)Cc1ccccc1 ZINC000587193827 HH Annotated Anodyne C#CCN(Cc1nc2cnncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193892 HH Annotated Mild Cc1nc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2cc1Br ZINC000587193893 HH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587193915 HH Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587193916 HH Annotated Anodyne CN(CCc1nc2ccnc(N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193956 HH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587193960 HH Annotated Mild CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587193961 HH Annotated Mild N#Cc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587193971 HH Annotated Mild O=C(O)CCN(CCc1nc2ccc(OC(F)(F)F)cc2[nH]1)Cc1ccccc1 ZINC000587193987 HH Annotated Anodyne O=C(O)CCN(CCc1nc2ccc(F)c(Br)c2[nH]1)Cc1ccccc1 ZINC000587194004 HH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 ZINC000587194116 HH Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 ZINC000587194117 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(N(C)C)cn3)nc2c1 ZINC000587194204 HH Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587194338 HH Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587194357 HH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587194438 HH Annotated Mild CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587194439 HH Annotated Mild CN(CCc1nc2cc(N)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194441 HH Annotated Anodyne Cc1nc2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2cc1Br ZINC000587194445 HH Annotated Anodyne Cc1nc2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2cc1Br ZINC000587194447 HH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587194467 HH Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587194469 HH Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cnc(N(C)C)nc4C)[nH]c3c2)cc1 ZINC000587194543 HH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587194847 HH Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587194851 HH Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587194890 HH Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587194892 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 ZINC000587195516 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 ZINC000587195523 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cccnc3N(C)C)nc2c1 ZINC000587195927 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cnc2[nH]1)C[C@H]1CCCO1 ZINC000587195983 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cnc2[nH]1)C[C@@H]1CCCO1 ZINC000587195984 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cncc(Br)c2[nH]1)C[C@H]1CCCO1 ZINC000587195986 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cncc(Br)c2[nH]1)C[C@@H]1CCCO1 ZINC000587195987 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)ncc2[nH]1)C[C@H]1CCCO1 ZINC000587196610 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)ncc2[nH]1)C[C@@H]1CCCO1 ZINC000587196611 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 ZINC000587196629 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2c1 ZINC000587196631 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)nc2[nH]1)C[C@H]1CCCO1 ZINC000587196695 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(Br)nc2[nH]1)C[C@@H]1CCCO1 ZINC000587196696 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 ZINC000587196700 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1 ZINC000587196701 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccnc(Br)c2[nH]1)C[C@H]1CCCO1 ZINC000587196821 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccnc(Br)c2[nH]1)C[C@@H]1CCCO1 ZINC000587196823 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(Br)ccnc2[nH]1)C[C@H]1CCCO1 ZINC000587196925 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(Br)ccnc2[nH]1)C[C@@H]1CCCO1 ZINC000587196926 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C[C@H]1CCCO1 ZINC000587197006 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C[C@@H]1CCCO1 ZINC000587197007 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587197030 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587197031 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197065 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197066 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C[C@H]1CCCO1 ZINC000587197146 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C[C@@H]1CCCO1 ZINC000587197147 HH Annotated Anodyne CCOC(=O)c1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587197406 HH Annotated Anodyne CCOC(=O)c1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587197415 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)OCCCO3)C[C@@H]1CCCO1 ZINC000587197878 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)OCCCO3)C[C@H]1CCCO1 ZINC000587197879 HH Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587197906 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C[C@H]1CCCO1 ZINC000587197916 HH Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C[C@@H]1CCCO1 ZINC000587197918 HH Annotated Anodyne CC1=C(c2ccc3nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587197944 HH Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587197973 HH Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587197974 HH Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587198028 HH Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587198032 HH Annotated Anodyne CC(C)[C@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198090 HH Annotated Anodyne CC(C)[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198108 HH Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 ZINC000587198348 HH Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587198392 HH Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587198467 HH Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C(C)C)N(C)C)[nH]c3c2)cc1 ZINC000587198524 HH Annotated Anodyne CC(C)[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198527 HH Annotated Anodyne COC(=O)c1cccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c12 ZINC000587198630 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 ZINC000587198685 HH Annotated Anodyne CC(C)[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198910 HH Annotated Anodyne CC(C)[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)N(C)C(=O)OCc1ccccc1 ZINC000587198950 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C(C)C)N(C)C)[nH]c2c1 ZINC000587198980 HH Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587199023 HH Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587199050 HH Annotated Anodyne C[C@@H](c1nc2c(N)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199308 HH Annotated Anodyne C[C@@H](c1nc2c[nH]c(=N)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199937 HH Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587200792 HH Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587200957 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2c1 ZINC000587201050 HH Annotated Anodyne COC(=O)c1cc2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2cc1OC ZINC000587201151 HH Annotated Anodyne COC(=O)c1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587201189 HH Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587201527 HH Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587201553 HH Annotated Bother COc1ccc(NC(C)(C)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587201556 HH Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587202069 HH Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587202070 HH Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1 ZINC000587202832 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2cc1OC ZINC000587202942 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(C)(C)C ZINC000587203205 HH Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(C)(C)C ZINC000587203206 HH Annotated Bother CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587203417 HH Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587203767 HH Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587203776 HH Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 ZINC000587203872 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1OC ZINC000587204414 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(C)(C)C ZINC000587204575 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(C)(C)C ZINC000587204576 HH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 ZINC000587204855 HH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 ZINC000587204856 HH Annotated Anodyne CN1CCN(c2ccc3nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3c2)CC1 ZINC000587205339 HH Annotated Anodyne CN1CCN(c2ccc3nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3c2)CC1 ZINC000587205340 HH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1 ZINC000587205488 HH Annotated Bother CC(=O)N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1 ZINC000587205492 HH Annotated Bother COC(=O)c1cc2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2cc1OC ZINC000587206041 HH Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2cc1OC ZINC000587206044 HH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1 ZINC000587207806 HH Annotated Bother CC(=O)N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1 ZINC000587207807 HH Annotated Bother CC(=O)N[C@@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccc(C)cc1 ZINC000587207840 HH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccc(C)cc1 ZINC000587207843 HH Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)c1nc3cccc4c3c(c12)-c1ccccc1C4=O ZINC000587208647 HH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)c1nc3cccc4c3c(c12)-c1ccccc1C4=O ZINC000587208651 HH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](N1CCS(=O)(=O)CC1)CCC3 ZINC000587209180 HH Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](N1CCS(=O)(=O)CC1)CCC3 ZINC000587209181 HH Annotated Anodyne O=C1c2ccccc2N/C(=C/N2CCOCC2)N1Cc1cc2c3c(cccc3n1)CC2 ZINC000587212256 HH Annotated Anodyne O=C1c2ccccc2N/C(=C\N2CCOCC2)N1Cc1cc2c3c(cccc3n1)CC2 ZINC000587212257 HH Annotated Anodyne COC(=O)c1cc(I)c(-c2cc3c4c(cccc4n2)CC3)[nH]1 ZINC000587212290 HH Annotated Anodyne O=C(CCc1c(-c2ccccc2)nc2cccc3c2c1CC3)ON1C(=O)CCC1=O ZINC000587213723 HH Annotated Mild c1cc2c3c(cc(-c4ccc5c(c4)OCCOCCOCCOCCO5)nc3c1)CC2 ZINC000587215667 HH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(I)cc2[nH]1)c1ccc(C)cc1 ZINC000587216653 HH Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(I)cc2[nH]1)c1ccc(C)cc1 ZINC000587216654 HH Annotated Anodyne O=C(O)Cc1c(-c2ccn(S(=O)(=O)c3ccccc3)c2)nc2cccc3c2c1CC3 ZINC000587216880 HH Annotated Anodyne COC(=O)c1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1OC ZINC000587217698 HH Annotated Anodyne COC(=O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1OC ZINC000587217699 HH Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(I)c2[nH]1)c1ccc(C)cc1 ZINC000587217711 HH Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(I)c2[nH]1)c1ccc(C)cc1 ZINC000587217712 HH Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2nc(Br)c[nH]c-2n1)c1ccccc1 ZINC000587219671 HH Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2nc(Br)c[nH]c-2n1)c1ccccc1 ZINC000587219672 HH Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587220354 HH Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587220355 HH Annotated Anodyne COc1cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587221324 HH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2cc1OC ZINC000587222053 HH Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2cc1OC ZINC000587222056 HH Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587222327 HH Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587222329 HH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 ZINC000587223654 HH Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 ZINC000587223656 HH Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587223690 HH Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587223691 HH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(Br)c3[nH]2)cc1 ZINC000587223730 HH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587224414 HH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587224524 HH Annotated Anodyne COc1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587225127 HH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587225243 HH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587225245 HH Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587225758 HH Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587225759 HH Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587225808 HH Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587225809 HH Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccccc1 ZINC000587225986 HH Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccccc1 ZINC000587225992 HH Annotated Bother C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587226290 HH Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587226292 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 ZINC000587227195 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c12 ZINC000587227196 HH Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587227555 HH Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587227556 HH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000587228019 HH Annotated Anodyne O=C(NCCc1nc2c(Br)cnc(Cl)c2[nH]1)OCc1ccccc1 ZINC000587228021 HH Annotated Anodyne O=C(NCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)OCc1ccccc1 ZINC000587228035 HH Annotated Bother CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000587228098 HH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587228203 HH Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587228292 HH Annotated Mild COc1ccc(C)cc1NCCCc1nc2cc(I)cnc2[nH]1 ZINC000587228328 HH Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000587228529 HH Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587229196 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)c(C2CC2)n1 ZINC000587229300 HH Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587229306 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)c(C2CC2)n1 ZINC000587229422 HH Annotated Anodyne CC1=C(c2ccc3nc(-c4cccnc4NCc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587229472 HH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587229521 HH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587229522 HH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587229524 HH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587229526 HH Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000587229640 HH Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587229653 HH Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587229881 HH Annotated Mild COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587229922 HH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587229924 HH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587229925 HH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587229927 HH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(C(C)(C)C)c3[nH]2)c1 ZINC000587230084 HH Annotated Anodyne COc1nccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 ZINC000587230166 HH Annotated Anodyne COc1cncc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 ZINC000587230250 HH Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(C(C)(C)C)cc3[nH]2)c1 ZINC000587230548 HH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587230556 HH Annotated Bother COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587230557 HH Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587230558 HH Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587230559 HH Annotated Bother O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000587230639 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(Cl)ncnc3[nH]2)c(C2CC2)n1 ZINC000587230709 HH Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587230858 HH Annotated Bother O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587230929 HH Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(CO)cc2[nH]1 ZINC000587231229 HH Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4nc(Br)c[nH]c-4n3)c2)c1 ZINC000587231360 HH Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2n1 ZINC000587231621 HH Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587231639 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C2CC2)n1 ZINC000587231715 HH Annotated Bother O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587231818 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C2CC2)n1 ZINC000587231914 HH Annotated Bother COc1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2n1 ZINC000587232032 HH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587232126 HH Annotated Bother COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587232127 HH Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587232128 HH Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587232129 HH Annotated Bother COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587232258 HH Annotated Clean COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587232259 HH Annotated Clean COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587232260 HH Annotated Clean COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587232261 HH Annotated Clean COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587232335 HH Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cn1 ZINC000587232354 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc12 ZINC000587232369 HH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587232413 HH Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587232415 HH Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587232417 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587233009 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587233088 HH Annotated Anodyne CC(=O)NC1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCC(C)CC1 ZINC000587233735 HH Annotated Clean CNC(=O)c1cccc(-c2cccc(Cc3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)c1 ZINC000587233814 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)cc3[nH]2)CCC(O)CC1 ZINC000587233816 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cccc(Br)c3[nH]2)CCC(O)CC1 ZINC000587234127 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CCC(=O)CC1 ZINC000587234155 HH Annotated Anodyne CCOC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 ZINC000587234162 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CCC(=O)CC1 ZINC000587234222 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(NC(C)=O)CCC(C)CC3)nc2c1 ZINC000587234460 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCC(=O)CC1 ZINC000587234527 HH Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587234726 HH Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587234727 HH Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587234729 HH Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587234731 HH Annotated Anodyne Cc1nc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2cc1Br ZINC000587234807 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 ZINC000587234917 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Br)ccnc3[nH]2)CCC(=O)CC1 ZINC000587234982 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2c1 ZINC000587234996 HH Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4CCCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3c2)CC1 ZINC000587235033 HH Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587235070 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCC(=O)CC1 ZINC000587235232 HH Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3ccnc(Br)c3[nH]2)CCC(=O)CC1 ZINC000587235456 HH Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2cc1OC ZINC000587235494 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587235744 HH Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cnc3[nH]2)CCC(=O)CC1 ZINC000587235780 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cncc(Br)c3[nH]2)CCC(=O)CC1 ZINC000587235790 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)nc3[nH]2)CCC(=O)CC1 ZINC000587235802 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)c(O)c3[nH]2)CCC(=O)CC1 ZINC000587236058 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)ncc3[nH]2)CCC(=O)CC1 ZINC000587236068 HH Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc12 ZINC000587236090 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCC(O)CC1 ZINC000587236520 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCC(O)CC1 ZINC000587236914 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCC(O)CC1 ZINC000587236942 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCC(O)CC1 ZINC000587237011 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)ncc3[nH]2)CCC(O)CC1 ZINC000587237198 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCC(O)CC1 ZINC000587237265 HH Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)cnc3[nH]2)CCC(O)CC1 ZINC000587237497 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CCC(O)CC1 ZINC000587237498 HH Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc2c1 ZINC000587237543 HH Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CCC(O)CC1 ZINC000587237746 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CO)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238303 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CO)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238304 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CO)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238305 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CO)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238306 HH Annotated Anodyne COc1nccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 ZINC000587238548 HH Annotated Anodyne COc1nccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12 ZINC000587238549 HH Annotated Anodyne COc1nccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12 ZINC000587238550 HH Annotated Anodyne COc1nccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 ZINC000587238551 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(NC(N)=O)c3C)nc2c1 ZINC000587238566 HH Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(I)cc3[nH]2)c1C ZINC000587238606 HH Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1C ZINC000587238637 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CC(=O)Nc3cccc(C)c3C)nc2c1 ZINC000587238827 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238847 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238848 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238849 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238850 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3nc(Cl)c[nH]c-3n2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238904 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3nc(Cl)c[nH]c-3n2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238905 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3nc(Cl)c[nH]c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238906 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3nc(Cl)c[nH]c-3n2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238907 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(NC(N)=O)c3C)nc2c1 ZINC000587239081 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)ncnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239125 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)ncnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239126 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)ncnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239127 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)ncnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239128 HH Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cn1 ZINC000587239135 HH Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cn1 ZINC000587239136 HH Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cn1 ZINC000587239137 HH Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cn1 ZINC000587239138 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239147 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239148 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239149 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239150 HH Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1C ZINC000587239192 HH Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cccc(I)c3[nH]2)c1C ZINC000587239221 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CCO)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239527 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CCO)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239530 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CCO)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239532 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(CCO)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239535 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4cn[nH]c4cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239618 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4cn[nH]c4cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239621 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4cn[nH]c4cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239623 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4cn[nH]c4cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239625 HH Annotated Anodyne COc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2n1 ZINC000587239864 HH Annotated Anodyne COc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2n1 ZINC000587239928 HH Annotated Anodyne COc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2n1 ZINC000587239930 HH Annotated Anodyne COc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2n1 ZINC000587239931 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cnc(Cl)[nH]c-3n2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239942 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cnc(Cl)[nH]c-3n2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239944 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cnc(Cl)[nH]c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239945 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cnc(Cl)[nH]c-3n2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239947 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239953 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239955 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239957 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239958 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587240415 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240526 HH Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240527 HH Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240528 HH Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240530 HH Annotated Mild Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(O)c1 ZINC000587240645 HH Annotated Bother Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)c(O)c1 ZINC000587240650 HH Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587240671 HH Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(Br)cc(C(=O)OC)cc2[nH]1 ZINC000587240870 HH Annotated Anodyne COc1cncc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c12 ZINC000587241086 HH Annotated Anodyne COc1cncc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 ZINC000587241087 HH Annotated Anodyne COc1cncc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12 ZINC000587241088 HH Annotated Anodyne COc1cncc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 ZINC000587241089 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c12 ZINC000587241380 HH Annotated Anodyne NC(=O)Nc1cccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587242352 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 ZINC000587242420 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3cccc(NC(C)=O)c3)nc2c1 ZINC000587242524 HH Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587244399 HH Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587244511 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/C(=O)Nc3ccccc3)nc2c1 ZINC000587244581 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\C(=O)Nc3ccccc3)nc2c1 ZINC000587244586 HH Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587244893 HH Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cncc(Br)c3[nH]2)cc1 ZINC000587245272 HH Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1 ZINC000587245695 HH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)C2 ZINC000587245890 HH Annotated Bother COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)C2 ZINC000587245892 HH Annotated Bother COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)C2 ZINC000587245903 HH Annotated Bother COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)C2 ZINC000587245904 HH Annotated Bother N[C@H]1CC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587246103 HH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cccc(I)c3[nH]1)C2 ZINC000587246250 HH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc(I)c3[nH]1)C2 ZINC000587246252 HH Annotated Anodyne N[C@@H]1CC[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C1 ZINC000587246370 HH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Br)c(F)c(F)c3[nH]1)C2 ZINC000587246576 HH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)c(F)c(F)c3[nH]1)C2 ZINC000587246581 HH Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587247153 HH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3c(Br)cnc(Cl)c3[nH]1)C2 ZINC000587247231 HH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3c(Br)cnc(Cl)c3[nH]1)C2 ZINC000587247232 HH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)C2 ZINC000587247393 HH Annotated Clean COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)C2 ZINC000587247394 HH Annotated Clean COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)C2 ZINC000587247429 HH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]1)C2 ZINC000587247432 HH Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3c(Cl)c(Br)cnc3[nH]1)C2 ZINC000587247598 HH Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3c(Cl)c(Br)cnc3[nH]1)C2 ZINC000587247599 HH Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cn1 ZINC000587247766 HH Annotated Anodyne N[C@]1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CCOC1 ZINC000587248073 HH Annotated Anodyne N[C@@]1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CCOC1 ZINC000587248074 HH Annotated Anodyne COc1cc(C)c(N)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587248685 HH Annotated Anodyne Cc1ccc(CCc2nc3c(I)cnc(Cl)c3[nH]2)cc1N ZINC000587250172 HH Annotated Anodyne CC(C)Oc1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cc1Br ZINC000587250749 HH Annotated Anodyne CCCOc1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cc1Br ZINC000587250822 HH Annotated Anodyne Nc1ccc(C(=O)CCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587251194 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCC(=O)c3ccc(N)cc3)nc2c1 ZINC000587251416 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCC(=O)c3ccc(N)cc3)nc2c1 ZINC000587252008 HH Annotated Anodyne COc1cncc(N)c1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000587252262 HH Annotated Anodyne COc1cncc(N)c1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000587252727 HH Annotated Anodyne COC(=O)c1cc2[nH]c(-c3c(N)cncc3OC)nc2c(F)c1Nc1ccccc1 ZINC000587252841 HH Annotated Anodyne COc1cncc(N)c1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000587253024 HH Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cn1 ZINC000587253666 HH Annotated Clean Nc1ncc(-c2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)cn1 ZINC000587253785 HH Annotated Bother Nc1ncc(-c2cccc(-c3nc4cccc(I)c4[nH]3)c2)cn1 ZINC000587253791 HH Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2)cn1 ZINC000587254501 HH Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cn1 ZINC000587254516 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4cnc(N)nc4)c3)nc2c1 ZINC000587254575 HH Annotated Anodyne CC(C)CCOc1cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2cc1Br ZINC000587254603 HH Annotated Anodyne CCCCCOc1cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2cc1Br ZINC000587254646 HH Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)cn1 ZINC000587255013 HH Annotated Bother NC1CC(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C1 ZINC000587255637 HH Annotated Anodyne N[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C1CC1 ZINC000587255686 HH Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587256223 HH Annotated Anodyne CC(C)Oc1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587256299 HH Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587256346 HH Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587256660 HH Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587256684 HH Annotated Anodyne CCCOc1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587257096 HH Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587258201 HH Annotated Anodyne N[C@@H](Cc1nc2cc(I)cnc2[nH]1)c1cccc2ccccc12 ZINC000587258244 HH Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587258549 HH Annotated Anodyne N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587258800 HH Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2c1 ZINC000587258814 HH Annotated Anodyne N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587259013 HH Annotated Anodyne CCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587259119 HH Annotated Bother CCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587259122 HH Annotated Bother CCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587259126 HH Annotated Bother CCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587259129 HH Annotated Bother CC(C)Oc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260484 HH Annotated Bother CC(C)Oc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260488 HH Annotated Bother CC(C)Oc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260490 HH Annotated Bother CC(C)Oc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br ZINC000587260494 HH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587260561 HH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587260563 HH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587260564 HH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587260565 HH Annotated Bother COc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260705 HH Annotated Bother COc1cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260840 HH Annotated Mild COc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260869 HH Annotated Bother COc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260953 HH Annotated Bother COc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260975 HH Annotated Bother COc1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261142 HH Annotated Bother COc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(OC)c([N+](=O)[O-])c1 ZINC000587261155 HH Annotated Bother COc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261216 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587261324 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587261325 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587261348 HH Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587261349 HH Annotated Mild Cc1cc(Br)cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587261370 HH Annotated Mild Cc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587261378 HH Annotated Mild Cc1c(Br)ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587261573 HH Annotated Mild Cc1cc(C#Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261597 HH Annotated Mild Cc1cc(C#Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261607 HH Annotated Mild Cc1cc(C#Cc2nc3cccc(I)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261652 HH Annotated Mild Cc1c(Br)cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1C ZINC000587261734 HH Annotated Mild O=CC(C=O)c1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261818 HH Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587261902 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587261904 HH Annotated Bother COCCNc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261970 HH Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261980 HH Annotated Mild O=CC(C=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1[N+](=O)[O-] ZINC000587262000 HH Annotated Mild O=CC(C=O)c1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262013 HH Annotated Mild O=CC(C=O)c1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262063 HH Annotated Mild COC(=O)c1cc(Br)c2[nH]c(C#Cc3ccc([N+](=O)[O-])c(C)c3)nc2c1 ZINC000587262069 HH Annotated Mild Cc1cc(C#Cc2nc3ccc(I)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262157 HH Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587262230 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587262231 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587262232 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587262233 HH Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262241 HH Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587262257 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587262260 HH Annotated Bother COCCNc1ccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262294 HH Annotated Mild Cc1cc(Br)c2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2c1 ZINC000587262324 HH Annotated Mild Cc1cc(C#Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1[N+](=O)[O-] ZINC000587262368 HH Annotated Mild COCCNc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1[N+](=O)[O-] ZINC000587262416 HH Annotated Bother COCCNc1ccc(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262536 HH Annotated Bother COc1cc(OCc2nc3cc(C#N)cc(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262583 HH Annotated Mild O=CC(C=O)c1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262588 HH Annotated Mild NC(=O)c1cc(N2CCC(c3nc4ccc5ncccc5c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262593 HH Annotated Bother N#Cc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1C(F)(F)F ZINC000587262596 HH Annotated Mild COCCNc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587262603 HH Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262701 HH Annotated Mild COc1cc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262713 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC)c(F)cc2[nH]1 ZINC000587262840 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC)c(F)cc2[nH]1 ZINC000587262841 HH Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587262852 HH Annotated Bother Cc1cc(C#Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262866 HH Annotated Mild COc1cc(OCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262886 HH Annotated Bother C=CCc1cccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12 ZINC000587262934 HH Annotated Mild NC(=O)c1cc(N2CCC(c3nc4cnc5ccccc5c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263074 HH Annotated Bother COc1cc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263105 HH Annotated Bother COc1cc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263199 HH Annotated Bother Cc1c(Cl)ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12 ZINC000587263231 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587263243 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587263245 HH Annotated Bother COc1cc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263254 HH Annotated Bother COc1cc(OCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263278 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587263331 HH Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587263334 HH Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587263340 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587263343 HH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263360 HH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263361 HH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263362 HH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263363 HH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Cl)cc(F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263617 HH Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc5c(c4[nH]3)CCCC5)CC2)ccc1[N+](=O)[O-] ZINC000587263627 HH Annotated Bother Cc1cc(Cl)cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12 ZINC000587263647 HH Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587263714 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587263734 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587263735 HH Annotated Bother N#Cc1cc(Br)c2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 ZINC000587263785 HH Annotated Mild O=[N+]([O-])c1ccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c([N+](=O)[O-])c1 ZINC000587263826 HH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587263865 HH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587263866 HH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587263867 HH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587263868 HH Annotated Bother Cc1c(Cl)ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587263907 HH Annotated Bother Cc1c(Cl)ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587263911 HH Annotated Bother Cc1c(Cl)ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587263913 HH Annotated Bother Cc1c(Cl)ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587263914 HH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587264143 HH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587264221 HH Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cccc(I)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587264235 HH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264358 HH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264361 HH Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264363 HH Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264370 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587264406 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587264407 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587264434 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587264435 HH Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])c1 ZINC000587264513 HH Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587264547 HH Annotated Bother COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Cl ZINC000587264569 HH Annotated Bother COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Cl ZINC000587264575 HH Annotated Bother COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Cl ZINC000587264576 HH Annotated Bother COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Cl ZINC000587264578 HH Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(I)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587264652 HH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587264665 HH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587264666 HH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587264667 HH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587264669 HH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264672 HH Annotated Mild CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 ZINC000587264711 HH Annotated Bother COCCOc1ccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264722 HH Annotated Mild N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587264755 HH Annotated Bother COCCOc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587264779 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587264815 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587264817 HH Annotated Bother Cc1cc(Cl)cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587264905 HH Annotated Bother Cc1cc(Cl)cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587264906 HH Annotated Bother Cc1cc(Cl)cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587264907 HH Annotated Bother Cc1cc(Cl)cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587264909 HH Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587264918 HH Annotated Bother Nc1ccc(-c2ccc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)cc1N ZINC000587264933 HH Annotated Bother COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 ZINC000587264980 HH Annotated Bother Nc1ccc(Oc2ccc3nc([C@@H](N)Cc4ccc(O)c([N+](=O)[O-])c4)[nH]c3c2)cc1 ZINC000587264988 HH Annotated Clean C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)nc2[nH]1 ZINC000587264992 HH Annotated Bother Cc1c(Br)cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1C ZINC000587265161 HH Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587265181 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587265250 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587265256 HH Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587265261 HH Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587265391 HH Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])c1 ZINC000587265490 HH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587265558 HH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587265559 HH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587265560 HH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587265561 HH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(Br)c2[nH]1 ZINC000587265647 HH Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587265703 HH Annotated Bother COCCOc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587265731 HH Annotated Bother Cc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Cl ZINC000587265767 HH Annotated Bother Cc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Cl ZINC000587265774 HH Annotated Bother Cc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Cl ZINC000587265775 HH Annotated Bother Cc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Cl ZINC000587265781 HH Annotated Bother Cc1ccc2c(ccc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c32)n1 ZINC000587265837 HH Annotated Bother Cc1ccc2c(ccc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c32)n1 ZINC000587265844 HH Annotated Bother Cc1ccc2c(ccc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c32)n1 ZINC000587265847 HH Annotated Bother Cc1ccc2c(ccc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c32)n1 ZINC000587265851 HH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 ZINC000587266050 HH Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587266099 HH Annotated Bother CCOC(=O)Cc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587266244 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587266263 HH Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587266266 HH Annotated Bother COCCOc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266417 HH Annotated Bother COCCOc1ccc(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266419 HH Annotated Bother CC(C)Oc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587266742 HH Annotated Bother CC(C)Oc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587266743 HH Annotated Bother CC(C)Oc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587266744 HH Annotated Bother CC(C)Oc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587266745 HH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccnc2[nH]1 ZINC000587266837 HH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587266993 HH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)ncc2[nH]1 ZINC000587267013 HH Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc(Br)c2[nH]1 ZINC000587267064 HH Annotated Bother COC(=O)c1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587267169 HH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc4c(cc3[nH]2)OCCO4)c(C)c1[N+](=O)[O-] ZINC000587267280 HH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267357 HH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267362 HH Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587267395 HH Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587267396 HH Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587267397 HH Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587267398 HH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C)c1[N+](=O)[O-] ZINC000587267431 HH Annotated Bother CSc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587267462 HH Annotated Bother CSc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587267463 HH Annotated Bother CSc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587267464 HH Annotated Bother CSc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587267465 HH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267495 HH Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587267515 HH Annotated Bother Nc1ncc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587267611 HH Annotated Bother Nc1ncc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587267675 HH Annotated Bother Nc1ncc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587267749 HH Annotated Bother COC(=O)c1cccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c12 ZINC000587267765 HH Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587267831 HH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C)c1[N+](=O)[O-] ZINC000587267840 HH Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 ZINC000587267846 HH Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 ZINC000587267847 HH Annotated Bother Nc1ncc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587267873 HH Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587267938 HH Annotated Clean COC(=O)c1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587267939 HH Annotated Bother Nc1ncc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587267965 HH Annotated Bother Nc1ncc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268145 HH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268230 HH Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268239 HH Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587268252 HH Annotated Bother Nc1ncc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268338 HH Annotated Bother Nc1ncc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268343 HH Annotated Bother Nc1ncc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587268420 HH Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587268481 HH Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587268758 HH Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587268785 HH Annotated Bother O=C(c1ccccc1)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587268799 HH Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(F)cc(Br)c4[nH]3)nn2)c1 ZINC000587268802 HH Annotated Bother Cc1oc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587269113 HH Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)c(F)cc4[nH]3)nn2)c1 ZINC000587269245 HH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 ZINC000587269294 HH Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)cc(F)c4[nH]3)nn2)c1 ZINC000587269304 HH Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587269407 HH Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587269456 HH Annotated Bother Cc1oc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1[N+](=O)[O-] ZINC000587269631 HH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(F)cnc(Cl)c3[nH]2)CC1 ZINC000587269666 HH Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(Cl)c(Br)cnc4[nH]3)nn2)c1 ZINC000587269753 HH Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587269792 HH Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)nn2)c1 ZINC000587270107 HH Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 ZINC000587270136 HH Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(F)c(Br)c4[nH]3)nn2)c1 ZINC000587270145 HH Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587270428 HH Annotated Bother Nc1ccc(-c2ccc3nc(COc4ccc([N+](=O)[O-])cc4C=O)[nH]c3c2)cc1N ZINC000587270454 HH Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587270471 HH Annotated Bother COc1cc(OC)c2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2c1 ZINC000587270612 HH Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)nn2)c1 ZINC000587270639 HH Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Br)c(F)c4[nH]3)nn2)c1 ZINC000587270642 HH Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)nn2)c1 ZINC000587270680 HH Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)nn2)c1 ZINC000587270716 HH Annotated Bother Nc1ccc(-c2ccc3nc(-c4cn(-c5cccc([N+](=O)[O-])c5)nn4)[nH]c3c2)cc1N ZINC000587270720 HH Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587271052 HH Annotated Bother Cc1[nH]c2ccccc2c1C(=O)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587272919 HH Annotated Clean O=C(c1ccc(Br)o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587272950 HH Annotated Anodyne COc1ccc(OC)c(CC(=O)c2c(CO)oc3cc(Br)cnc23)c1 ZINC000587273087 HH Annotated Anodyne CCCOc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Br ZINC000587273097 HH Annotated Bother CCOc1c(OC)cccc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273115 HH Annotated Anodyne CC(=O)Oc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1C ZINC000587273124 HH Annotated Anodyne Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587273184 HH Annotated Bother O=C(/C=C\c1ccc([N+](=O)[O-])cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587273316 HH Annotated Mild O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587273325 HH Annotated Mild COC(=O)c1cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587273369 HH Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587273480 HH Annotated Bother CC(C)Oc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Br ZINC000587273497 HH Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587273594 HH Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c3c2)cc1 ZINC000587273684 HH Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587273693 HH Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587273746 HH Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587273748 HH Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(Cn4c([N+](=O)[O-])cnc4C)[nH]c3c2)cc1 ZINC000587273950 HH Annotated Bother CCCCOc1cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2cc1Br ZINC000587273971 HH Annotated Bother Cc1cc(OCC(=O)c2c(CO)oc3cc(Br)cnc23)ccc1[N+](=O)[O-] ZINC000587274146 HH Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587274268 HH Annotated Bother O=C(c1c(CO)oc2cc(Br)cnc12)C1(Br)CCCC1 ZINC000587274388 HH Annotated Anodyne Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587274578 HH Annotated Bother O=C(/C=C/c1ccc2c(c1)OCO2)c1c(CO)oc2cc(Br)cnc12 ZINC000587274653 HH Annotated Mild O=C(/C=C\c1ccc2c(c1)OCO2)c1c(CO)oc2cc(Br)cnc12 ZINC000587274654 HH Annotated Mild COc1ccc(CC(=O)c2c(CO)oc3cc(Br)cnc23)cc1OC ZINC000587274681 HH Annotated Anodyne Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587274688 HH Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587274837 HH Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587275016 HH Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cc([N+](=O)[O-])nn5C)[nH]c4c3)o2)cc1 ZINC000587275091 HH Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587275128 HH Annotated Bother COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587275154 HH Annotated Bother C[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275263 HH Annotated Bother C[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275264 HH Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275335 HH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275336 HH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275337 HH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275338 HH Annotated Clean COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2n1 ZINC000587275399 HH Annotated Clean COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2n1 ZINC000587275400 HH Annotated Clean COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2n1 ZINC000587275401 HH Annotated Clean COC(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2n1 ZINC000587275402 HH Annotated Clean O=C(c1cc(F)c(F)c(F)c1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587275495 HH Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc12 ZINC000587275688 HH Annotated Clean COC(=O)c1ccnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc12 ZINC000587275690 HH Annotated Clean COC(=O)c1ccnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc12 ZINC000587275691 HH Annotated Clean COC(=O)c1ccnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc12 ZINC000587275693 HH Annotated Clean O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275842 HH Annotated Bother C[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275844 HH Annotated Bother C[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275845 HH Annotated Bother C[C@H](C(=O)c1c(CO)oc2cc(Br)cnc12)n1ccc(C(F)(F)F)n1 ZINC000587275938 HH Annotated Anodyne C[C@@H](C(=O)c1c(CO)oc2cc(Br)cnc12)n1ccc(C(F)(F)F)n1 ZINC000587275943 HH Annotated Anodyne COc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc(OC)c1C ZINC000587275958 HH Annotated Anodyne O=C(c1ccc(C(F)(F)F)cn1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275995 HH Annotated Anodyne O=C(c1cnc(-c2ccccc2)nc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276010 HH Annotated Anodyne COC(=O)c1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cn1 ZINC000587276055 HH Annotated Clean COC(=O)c1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cn1 ZINC000587276056 HH Annotated Clean COC(=O)c1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cn1 ZINC000587276059 HH Annotated Clean COC(=O)c1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cn1 ZINC000587276060 HH Annotated Clean C[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276071 HH Annotated Bother C[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276072 HH Annotated Bother O=C(c1csc(C(F)(F)F)n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276269 HH Annotated Anodyne O=C(c1cnn(Cc2ccccc2)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276325 HH Annotated Anodyne O=C(c1ncsc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276356 HH Annotated Anodyne O=C(c1cc(Cl)ccc1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12 ZINC000587276369 HH Annotated Bother O=C(c1ccc(CN2CCCC2)o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276394 HH Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276578 HH Annotated Bother C[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276580 HH Annotated Bother Cc1c(C(=O)c2c(CO)oc3cc(Br)cnc23)cnn1-c1ccccc1 ZINC000587276607 HH Annotated Anodyne O=C(c1cccc2c1OC(F)(F)O2)c1c(CO)oc2cc(Br)cnc12 ZINC000587276651 HH Annotated Anodyne O=C(c1ccc(-c2ncccn2)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276665 HH Annotated Anodyne O=C(c1cccc(C(F)(F)F)n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276673 HH Annotated Anodyne O=C(c1ccc2c(c1)OC(F)(F)O2)c1c(CO)oc2cc(Br)cnc12 ZINC000587276689 HH Annotated Anodyne O=C(c1cc([N+](=O)[O-])ccc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587276698 HH Annotated Bother O=C(c1c(F)ccc([N+](=O)[O-])c1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276793 HH Annotated Bother COC(=O)c1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587276887 HH Annotated Bother COC(=O)c1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587276897 HH Annotated Bother O=C(c1ccc(C(F)(F)F)nc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276900 HH Annotated Anodyne COc1c(F)c(F)cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1F ZINC000587276941 HH Annotated Anodyne O=C(c1ccc(-c2csnn2)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276977 HH Annotated Anodyne Cc1nc(-c2ccc(C(=O)c3c(CO)oc4cc(Br)cnc34)cc2)no1 ZINC000587277020 HH Annotated Anodyne O=C(Cl)c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)s1 ZINC000587277030 HH Annotated Reactive O=C(c1cccc(Cl)c1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12 ZINC000587277074 HH Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(S)nc(S)nc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277216 HH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(S)nc(S)nc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277217 HH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(S)nc(S)nc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277218 HH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(S)nc(S)nc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277219 HH Annotated Clean C[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277388 HH Annotated Bother C[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277389 HH Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCC(=O)N4)[C@H]1CC=C[C@@H]21 ZINC000587277400 HH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCC(=O)N4)[C@H]1CC=C[C@H]21 ZINC000587277401 HH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCC(=O)N4)[C@@H]1CC=C[C@H]21 ZINC000587277402 HH Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OCC(=O)N4)[C@@H]1CC=C[C@@H]21 ZINC000587277403 HH Annotated Clean COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1 ZINC000587277558 HH Annotated Bother COC(=O)c1ccc(Oc2ccc3nc([C@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1 ZINC000587277559 HH Annotated Bother N#Cc1ccc2c(C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)coc2c1 ZINC000587278300 HH Annotated Mild CC1CCN(S(=O)(=O)c2ccc(C(=O)c3coc4cc(C#N)ccc34)cc2)CC1 ZINC000587279892 HH Annotated Mild CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280186 HH Annotated Bother COc1ccc(S(=O)(=O)CCCC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 ZINC000587280466 HH Annotated Bother COC(=O)[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321786 HH Annotated Reactive COC(=O)[C@]1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321793 HH Annotated Reactive COC(=O)[C@]1([C@@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321795 HH Annotated Reactive COC(=O)[C@]1([C@H](C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321797 HH Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCOC[C@H]2Br)[C@H]1c1ccc(F)cc1 ZINC000587322470 HH Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCOC[C@H]2Br)[C@@H]1c1ccc(F)cc1 ZINC000587322472 HH Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCOC[C@@H]2Br)[C@H]1c1ccc(F)cc1 ZINC000587322474 HH Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CCOC[C@@H]2Br)[C@@H]1c1ccc(F)cc1 ZINC000587322476 HH Annotated Reactive CCOC(=O)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323218 HH Annotated Reactive CCOC(=O)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323221 HH Annotated Reactive CCOC(=O)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323222 HH Annotated Reactive CCOC(=O)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323223 HH Annotated Reactive NC(=O)c1coc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587324865 HH Annotated Reactive NC(=O)c1coc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587324867 HH Annotated Reactive NC(=O)c1coc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587324869 HH Annotated Reactive NC(=O)c1coc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587324872 HH Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cn2cncn2)(C2(Cl)CC2)[C@H]1c1ccc(F)cc1 ZINC000587324905 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2cncn2)(C2(Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587324910 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2cncn2)(C2(Cl)CC2)[C@H]1c1ccc(F)cc1 ZINC000587324911 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2cncn2)(C2(Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587324912 HH Annotated Anodyne CN(C)/C=C(\C#N)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325528 HH Annotated Reactive CN(C)/C=C(/C#N)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325529 HH Annotated Reactive CN(C)/C=C(\C#N)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325530 HH Annotated Reactive CN(C)/C=C(/C#N)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325531 HH Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CC=Cn3c2nc(Cl)cc3=O)[C@@H]1c1ccc(F)cc1 ZINC000587326030 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC=Cn3c2nc(Cl)cc3=O)[C@@H]1c1ccc(F)cc1 ZINC000587326035 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC=Cn3c2nc(Cl)cc3=O)[C@H]1c1ccc(F)cc1 ZINC000587326040 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC=Cn3c2nc(Cl)cc3=O)[C@H]1c1ccc(F)cc1 ZINC000587326041 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587326774 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587326776 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Cl)c2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587326778 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Cl)c2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587326780 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587327500 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587327503 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587327504 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587327505 HH Annotated Anodyne CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc21 ZINC000587329590 HH Annotated Anodyne CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc21 ZINC000587329595 HH Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc21 ZINC000587329598 HH Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc21 ZINC000587329601 HH Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329818 HH Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329827 HH Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329831 HH Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329834 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](/C=C/N2CCOCC2)(CCl)[C@H]1c1ccc(F)cc1 ZINC000587330042 HH Annotated Reactive O=C1c2ccc(O)cc2O[C@](/C=C/N2CCOCC2)(CCl)[C@@H]1c1ccc(F)cc1 ZINC000587330043 HH Annotated Reactive O=C1c2ccc(O)cc2O[C@](/C=C\N2CCOCC2)(CCl)[C@@H]1c1ccc(F)cc1 ZINC000587330044 HH Annotated Reactive O=C1c2ccc(O)cc2O[C@](/C=C\N2CCOCC2)(CCl)[C@H]1c1ccc(F)cc1 ZINC000587330045 HH Annotated Reactive CN(C)/C=C/[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331600 HH Annotated Anodyne CN(C)/C=C/[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331602 HH Annotated Anodyne CN(C)/C=C/[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331604 HH Annotated Anodyne CN(C)/C=C/[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331606 HH Annotated Anodyne CC1(C)Cc2nc(N)ncc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332199 HH Annotated Anodyne CC1(C)Cc2nc(N)ncc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332202 HH Annotated Anodyne CC1(C)Cc2nc(N)ncc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332203 HH Annotated Anodyne CC1(C)Cc2nc(N)ncc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332205 HH Annotated Anodyne C[C@]1(CC(=O)NCc2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332358 HH Annotated Anodyne C[C@@]1(CC(=O)NCc2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332369 HH Annotated Anodyne C[C@@]1(CC(=O)NCc2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332372 HH Annotated Anodyne C[C@]1(CC(=O)NCc2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332375 HH Annotated Anodyne Cc1ccnc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587333022 HH Annotated Anodyne Cc1ccnc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587333026 HH Annotated Anodyne Cc1ccnc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587333028 HH Annotated Anodyne Cc1ccnc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587333030 HH Annotated Anodyne C#CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587333319 HH Annotated Mild C#CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587333321 HH Annotated Mild C#CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587333323 HH Annotated Mild C#CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587333325 HH Annotated Mild COC(=O)[C@H](Cl)[C@@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333367 HH Annotated Reactive COC(=O)[C@H](Cl)[C@@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333369 HH Annotated Reactive COC(=O)[C@H](Cl)[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333371 HH Annotated Reactive COC(=O)[C@H](Cl)[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333374 HH Annotated Reactive CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc21 ZINC000587333744 HH Annotated Anodyne CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc21 ZINC000587333746 HH Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(F)ccc21 ZINC000587333747 HH Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(F)ccc21 ZINC000587333748 HH Annotated Anodyne COC(=O)C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334657 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334660 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334662 HH Annotated Anodyne COC(=O)C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334665 HH Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)C(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587334840 HH Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)C(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587334841 HH Annotated Anodyne CC(=O)N1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334964 HH Annotated Anodyne CC(=O)N1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334967 HH Annotated Anodyne CC(=O)N1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334970 HH Annotated Anodyne CC(=O)N1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334973 HH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335272 HH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335303 HH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335308 HH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335313 HH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335317 HH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335323 HH Annotated Anodyne NC(=O)C12CC3C[C@@H](C1)C1(Oc4cc(O)ccc4C(=O)[C@H]1c1ccc(F)cc1)[C@@H](C3)C2 ZINC000587335803 HH Annotated Anodyne NC(=O)C12CC3C[C@@H](C1)C1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](C3)C2 ZINC000587335808 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335857 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335861 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335865 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335867 HH Annotated Anodyne C[C@]1(c2ccccc2OCC(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336380 HH Annotated Anodyne C[C@]1(c2ccccc2OCC(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336391 HH Annotated Anodyne C[C@@]1(c2ccccc2OCC(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336397 HH Annotated Anodyne C[C@@]1(c2ccccc2OCC(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336401 HH Annotated Anodyne Cn1ccnc1[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336723 HH Annotated Anodyne Cn1ccnc1[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336726 HH Annotated Anodyne Cn1ccnc1[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336729 HH Annotated Anodyne Cn1ccnc1[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336731 HH Annotated Anodyne Cc1c([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1C ZINC000587336843 HH Annotated Anodyne Cc1c([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1C ZINC000587336849 HH Annotated Anodyne Cc1c([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1C ZINC000587336852 HH Annotated Anodyne Cc1c([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1C ZINC000587336854 HH Annotated Anodyne C[C@]1(c2ccc(O)c(C(N)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337064 HH Annotated Anodyne C[C@]1(c2ccc(O)c(C(N)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337069 HH Annotated Anodyne C[C@@]1(c2ccc(O)c(C(N)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337072 HH Annotated Anodyne C[C@@]1(c2ccc(O)c(C(N)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337075 HH Annotated Anodyne COC(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337232 HH Annotated Anodyne COC(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337236 HH Annotated Anodyne COC(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337246 HH Annotated Anodyne COC(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337253 HH Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2nncn12 ZINC000587338283 HH Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2nncn12 ZINC000587338286 HH Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2nncn12 ZINC000587338294 HH Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2nncn12 ZINC000587338296 HH Annotated Anodyne C[C@]1(Cc2ncccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338436 HH Annotated Anodyne C[C@]1(Cc2ncccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338439 HH Annotated Anodyne C[C@@]1(Cc2ncccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338443 HH Annotated Anodyne C[C@@]1(Cc2ncccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338446 HH Annotated Anodyne CC1(C)Cc2ncnc(N)c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338807 HH Annotated Anodyne CC1(C)Cc2ncnc(N)c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338810 HH Annotated Anodyne CC1(C)Cc2ncnc(N)c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338812 HH Annotated Anodyne CC1(C)Cc2ncnc(N)c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338814 HH Annotated Anodyne COC(=O)c1ccnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587339418 HH Annotated Anodyne COC(=O)c1ccnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587339420 HH Annotated Anodyne COC(=O)c1ccnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587339421 HH Annotated Anodyne COC(=O)c1ccnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587339425 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339509 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339510 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339511 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339512 HH Annotated Anodyne CC(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339791 HH Annotated Anodyne CC(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339793 HH Annotated Anodyne CC(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339795 HH Annotated Anodyne CC(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339797 HH Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(N3CCOCC3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587340339 HH Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(N3CCOCC3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587340342 HH Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340346 HH Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340350 HH Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340351 HH Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340353 HH Annotated Anodyne Cn1ccnc1[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340433 HH Annotated Anodyne Cn1ccnc1[C@@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340439 HH Annotated Anodyne Cn1ccnc1[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340442 HH Annotated Anodyne Cn1ccnc1[C@]1(C2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340444 HH Annotated Anodyne Cc1cc([N+](=O)[O-])nn1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341049 HH Annotated Bother Cc1cc([N+](=O)[O-])nn1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341056 HH Annotated Bother Cc1cc([N+](=O)[O-])nn1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341059 HH Annotated Bother Cc1cc([N+](=O)[O-])nn1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341064 HH Annotated Bother C[C@]1(c2ccc(OCC(N)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341112 HH Annotated Anodyne C[C@]1(c2ccc(OCC(N)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341114 HH Annotated Anodyne C[C@@]1(c2ccc(OCC(N)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341118 HH Annotated Anodyne C[C@@]1(c2ccc(OCC(N)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341123 HH Annotated Anodyne Cn1c2c(ccc1=O)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341136 HH Annotated Anodyne Cn1c2c(ccc1=O)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341140 HH Annotated Anodyne Cn1c2c(ccc1=O)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341142 HH Annotated Anodyne Cn1c2c(ccc1=O)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341149 HH Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341166 HH Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341173 HH Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341177 HH Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341179 HH Annotated Anodyne C[C@]1(c2cccc(-n3cnnn3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341180 HH Annotated Anodyne C[C@@]1(c2cccc(-n3cnnn3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341201 HH Annotated Anodyne C[C@@]1(c2cccc(-n3cnnn3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341205 HH Annotated Anodyne C[C@]1(c2cccc(-n3cnnn3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341208 HH Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C ZINC000587341485 HH Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C ZINC000587341489 HH Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C ZINC000587341491 HH Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C ZINC000587341495 HH Annotated Anodyne CCOC(=O)[C@]1(c2cnn(CC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341585 HH Annotated Anodyne CCOC(=O)[C@]1(c2cnn(CC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341588 HH Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(CC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341589 HH Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(CC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341590 HH Annotated Anodyne CNC(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341752 HH Annotated Anodyne CNC(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341756 HH Annotated Anodyne CNC(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341758 HH Annotated Anodyne CNC(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341760 HH Annotated Anodyne COC(C)(OC)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341772 HH Annotated Anodyne COC(C)(OC)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341782 HH Annotated Anodyne COC(C)(OC)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341784 HH Annotated Anodyne COC(C)(OC)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341785 HH Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342038 HH Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342040 HH Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342042 HH Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342044 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587342204 HH Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587342218 HH Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587342220 HH Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587342223 HH Annotated Bother CN1CCC(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 ZINC000587342381 HH Annotated Anodyne CN1CCC(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 ZINC000587342382 HH Annotated Anodyne CN(C)/C=C\[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342851 HH Annotated Anodyne CN(C)/C=C/[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342854 HH Annotated Anodyne CN(C)/C=C\[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342856 HH Annotated Anodyne CN(C)/C=C/[C@]1(c2ccnn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342857 HH Annotated Anodyne CN(C)/C=C\[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343384 HH Annotated Anodyne CN(C)/C=C/[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343385 HH Annotated Anodyne CN(C)/C=C\[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343387 HH Annotated Anodyne CN(C)/C=C/[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343388 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c([N+](=O)[O-])cccc32)[C@H]1c1ccc(F)cc1 ZINC000587343529 HH Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c([N+](=O)[O-])cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587343530 HH Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c([N+](=O)[O-])cccc32)[C@H]1c1ccc(F)cc1 ZINC000587343532 HH Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c([N+](=O)[O-])cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587343533 HH Annotated Bother Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2ncnn12 ZINC000587343556 HH Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnc2ncnn12 ZINC000587343557 HH Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2ncnn12 ZINC000587343558 HH Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnc2ncnn12 ZINC000587343559 HH Annotated Anodyne CN(C)/C=C/[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343815 HH Annotated Anodyne CN(C)/C=C/[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343818 HH Annotated Anodyne CN(C)/C=C\[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343819 HH Annotated Anodyne CN(C)/C=C\[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343820 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587344081 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccn2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587344092 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccn2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587344095 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccn2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587344096 HH Annotated Anodyne Cn1ccnc1[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344157 HH Annotated Anodyne Cn1ccnc1[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344159 HH Annotated Anodyne Cn1ccnc1[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344162 HH Annotated Anodyne Cn1ccnc1[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344163 HH Annotated Anodyne CC(C)(C)n1cc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587344198 HH Annotated Anodyne CC(C)(C)n1cc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587344201 HH Annotated Anodyne CC(C)(C)n1cc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587344203 HH Annotated Anodyne CC(C)(C)n1cc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587344204 HH Annotated Anodyne C[C@]1(c2ccc(-n3cnnn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344217 HH Annotated Anodyne C[C@@]1(c2ccc(-n3cnnn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344218 HH Annotated Anodyne C[C@@]1(c2ccc(-n3cnnn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344219 HH Annotated Anodyne C[C@]1(c2ccc(-n3cnnn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344220 HH Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ncccn3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587344319 HH Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ncccn3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587344320 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nc[nH]n2)[C@@H]1c1ccc(F)cc1 ZINC000587344522 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nc[nH]n2)[C@H]1c1ccc(F)cc1 ZINC000587344523 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nc[nH]n2)[C@@H]1c1ccc(F)cc1 ZINC000587344524 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nc[nH]n2)[C@H]1c1ccc(F)cc1 ZINC000587344525 HH Annotated Anodyne COc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345733 HH Annotated Anodyne COc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345736 HH Annotated Anodyne COc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345738 HH Annotated Anodyne COc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345741 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345786 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345788 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345789 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345791 HH Annotated Anodyne N#Cc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345793 HH Annotated Mild N#Cc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345799 HH Annotated Mild N#Cc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345800 HH Annotated Mild N#Cc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345802 HH Annotated Mild COc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587345824 HH Annotated Anodyne COc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587345826 HH Annotated Anodyne COc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587345827 HH Annotated Anodyne COc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587345828 HH Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(C)=O ZINC000587345858 HH Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(C)=O ZINC000587345866 HH Annotated Anodyne CCOC(=O)[C@H](C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(C)=O ZINC000587345868 HH Annotated Anodyne CCOC(=O)[C@H](C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(C)=O ZINC000587345871 HH Annotated Anodyne COc1ccccc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346030 HH Annotated Anodyne COc1ccccc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346034 HH Annotated Anodyne COc1ccccc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346035 HH Annotated Anodyne COc1ccccc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346038 HH Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346197 HH Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346198 HH Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346199 HH Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346200 HH Annotated Anodyne CCOC(=O)C[C@@]1(CCOC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346213 HH Annotated Anodyne CCOC(=O)C[C@]1(CCOC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346214 HH Annotated Anodyne CCOC(=O)C[C@@]1(CCOC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346215 HH Annotated Anodyne CCOC(=O)C[C@]1(CCOC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346216 HH Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346269 HH Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346270 HH Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346476 HH Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346479 HH Annotated Anodyne CCC[C@]1(CC(=O)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346685 HH Annotated Anodyne CCC[C@]1(CC(=O)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346687 HH Annotated Anodyne CCC[C@@]1(CC(=O)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346964 HH Annotated Anodyne CCC[C@@]1(CC(=O)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346969 HH Annotated Anodyne COC(=O)C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347138 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347140 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347141 HH Annotated Anodyne COC(=O)C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347146 HH Annotated Anodyne O=C(O)C[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347148 HH Annotated Anodyne O=C(O)C[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347151 HH Annotated Anodyne O=C(O)C[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347153 HH Annotated Anodyne O=C(O)C[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347156 HH Annotated Anodyne O=C(O)c1ccccc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347444 HH Annotated Anodyne O=C(O)c1ccccc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347455 HH Annotated Anodyne O=C(O)c1ccccc1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347457 HH Annotated Anodyne O=C(O)c1ccccc1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347459 HH Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587347759 HH Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587347763 HH Annotated Anodyne COc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587347765 HH Annotated Anodyne COc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587347767 HH Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)on1 ZINC000587347814 HH Annotated Anodyne CCOC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)on1 ZINC000587347815 HH Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)on1 ZINC000587347817 HH Annotated Anodyne CCOC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)on1 ZINC000587347819 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587348066 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587348069 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587348072 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587348075 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348178 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348190 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348192 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348193 HH Annotated Anodyne COC(=O)c1noc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349399 HH Annotated Anodyne COC(=O)c1noc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349405 HH Annotated Anodyne COC(=O)c1noc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349413 HH Annotated Anodyne COC(=O)c1noc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349418 HH Annotated Anodyne COc1ccccc1C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349506 HH Annotated Anodyne COc1ccccc1C[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349513 HH Annotated Anodyne COc1ccccc1C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349521 HH Annotated Anodyne COc1ccccc1C[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349523 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2c[nH]c3ncccc23)[C@@H]1c1ccc(F)cc1 ZINC000587349690 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2c[nH]c3ncccc23)[C@H]1c1ccc(F)cc1 ZINC000587349694 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2c[nH]c3ncccc23)[C@H]1c1ccc(F)cc1 ZINC000587349700 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2c[nH]c3ncccc23)[C@@H]1c1ccc(F)cc1 ZINC000587349706 HH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349771 HH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587349777 HH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349782 HH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587349788 HH Annotated Anodyne Cc1nc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)n2n1 ZINC000587350357 HH Annotated Anodyne Cc1nc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)n2n1 ZINC000587350370 HH Annotated Anodyne Cc1nc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)n2n1 ZINC000587350576 HH Annotated Anodyne Cc1nc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)n2n1 ZINC000587350577 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350616 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350617 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350618 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350620 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587350715 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587350718 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587350725 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587350729 HH Annotated Anodyne COc1cccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350929 HH Annotated Anodyne COc1cccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350933 HH Annotated Anodyne COc1cccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350938 HH Annotated Anodyne COc1cccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350941 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587351178 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587351179 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2ncc[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587351180 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2ncc[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587351181 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351764 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351765 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351766 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351767 HH Annotated Anodyne O=C1CC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587352044 HH Annotated Anodyne CN(C)c1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352046 HH Annotated Anodyne O=C1CC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587352050 HH Annotated Anodyne CN(C)c1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352053 HH Annotated Anodyne O=C1CC(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587352056 HH Annotated Anodyne CN(C)c1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352057 HH Annotated Anodyne CN(C)c1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352060 HH Annotated Anodyne O=C1CC(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587352061 HH Annotated Anodyne O=C1[C@@H]2[C@@H]3C[C@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]5[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]42 ZINC000587352707 HH Annotated Anodyne O=C1[C@@H]2[C@@H]3C[C@H]4[C@H]5[C@@H]3[C@@H]1[C@@H]5[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]42 ZINC000587352708 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@H]1[C@H]3C[C@@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@@H]3[C@H]12 ZINC000587352709 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 ZINC000587352710 HH Annotated Anodyne O=C1[C@@H]2[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]1[C@@H]5[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]42 ZINC000587352711 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12 ZINC000587352715 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@H]3C[C@@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@@H]3[C@H]12 ZINC000587352717 HH Annotated Anodyne O=C1[C@@H]2[C@H]3C[C@@H]4[C@@H]2[C@@]2(Oc5cc(O)ccc5C(=O)[C@@H]2c2ccc(F)cc2)[C@H]2[C@H]1[C@H]3[C@@H]42 ZINC000587352718 HH Annotated Anodyne C[C@]1(c2ccccc2[C@@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353224 HH Annotated Anodyne C[C@@]1(c2ccccc2[C@@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353228 HH Annotated Anodyne C[C@@]1(c2ccccc2[C@@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353230 HH Annotated Anodyne C[C@]1(c2ccccc2[C@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353236 HH Annotated Anodyne C[C@]1(c2ccccc2[C@@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353239 HH Annotated Anodyne C[C@]1(c2ccccc2[C@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353240 HH Annotated Anodyne C[C@@]1(c2ccccc2[C@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353241 HH Annotated Anodyne C[C@@]1(c2ccccc2[C@H](O)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353242 HH Annotated Anodyne COc1cccc(C[C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353536 HH Annotated Anodyne COc1cccc(C[C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353540 HH Annotated Anodyne COc1cccc(C[C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353541 HH Annotated Anodyne COc1cccc(C[C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353544 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355246 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355260 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355268 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355276 HH Annotated Anodyne COc1cc([C@]2([C@@H](C)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587355389 HH Annotated Anodyne COc1cc([C@]2([C@@H](C)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587355391 HH Annotated Anodyne COc1cc([C@]2([C@H](C)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587355392 HH Annotated Anodyne COc1cc([C@]2([C@H](C)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587355394 HH Annotated Anodyne COC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355471 HH Annotated Anodyne COC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355473 HH Annotated Anodyne COC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355475 HH Annotated Anodyne COC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355476 HH Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355505 HH Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355508 HH Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355510 HH Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355512 HH Annotated Anodyne O=C(O)C(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355553 HH Annotated Anodyne O=C(O)C(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355555 HH Annotated Anodyne O=C(O)C(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355557 HH Annotated Anodyne O=C(O)C(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355560 HH Annotated Anodyne COc1ccc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355764 HH Annotated Anodyne COc1ccc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355765 HH Annotated Anodyne COc1ccc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355766 HH Annotated Anodyne COc1ccc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355767 HH Annotated Anodyne CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(OCC(=O)O)=CO1 ZINC000587356666 HH Annotated Anodyne CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(OCC(=O)O)=CO1 ZINC000587356673 HH Annotated Anodyne CC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(OCC(=O)O)=CO1 ZINC000587356676 HH Annotated Anodyne CC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(OCC(=O)O)=CO1 ZINC000587356678 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587357362 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000587357364 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000587357365 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587357366 HH Annotated Anodyne CCc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587358206 HH Annotated Anodyne CCc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587358210 HH Annotated Anodyne CCc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587358213 HH Annotated Anodyne CCc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587358217 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc3ccccc3o2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587358263 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc3ccccc3o2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587358266 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc3ccccc3o2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587358270 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc3ccccc3o2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587358274 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(O)cc2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587358768 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(O)cc2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587358769 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(O)cc2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587358773 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(O)cc2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587358775 HH Annotated Anodyne O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587360822 HH Annotated Anodyne O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587360828 HH Annotated Anodyne O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587360833 HH Annotated Anodyne O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587360835 HH Annotated Anodyne COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360894 HH Annotated Clean COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360896 HH Annotated Clean COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360897 HH Annotated Clean COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360898 HH Annotated Clean CS(=O)(=O)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587361079 HH Annotated Anodyne CS(=O)(=O)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587361081 HH Annotated Anodyne CS(=O)(=O)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587361082 HH Annotated Anodyne CS(=O)(=O)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587361084 HH Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361512 HH Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361514 HH Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361516 HH Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCOC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361517 HH Annotated Anodyne CC(C)(C)[C@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361586 HH Annotated Anodyne CC(C)(C)[C@@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361587 HH Annotated Anodyne CC(C)(C)[C@@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361588 HH Annotated Anodyne CC(C)(C)[C@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361589 HH Annotated Anodyne CS(=O)(=O)[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587361672 HH Annotated Anodyne CS(=O)(=O)[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587361673 HH Annotated Anodyne CS(=O)(=O)[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587361674 HH Annotated Anodyne CS(=O)(=O)[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587361675 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN[C@@H](C(=O)O)[C@H]32)c1 ZINC000587361960 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN[C@@H](C(=O)O)[C@@H]32)c1 ZINC000587361963 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN[C@H](C(=O)O)[C@H]32)c1 ZINC000587361966 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN[C@H](C(=O)O)[C@@H]32)c1 ZINC000587361967 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@]2(C3)NC(=O)NC2=O)c1 ZINC000587363268 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C3)NC(=O)NC2=O)c1 ZINC000587363547 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@@H](C(=O)O)NC[C@@H]32)c1 ZINC000587363693 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2[C@@H]3CN[C@H]2C(=O)O)c1 ZINC000587363694 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@@H](C(=O)O)NC[C@H]32)c1 ZINC000587363695 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@H](C(=O)O)NC[C@@H]32)c1 ZINC000587363696 HH Annotated Anodyne COc1cccc(-c2cc(CN3C(=O)COCC3=O)nc3c2oc2ccccc23)c1 ZINC000587363868 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN[C@H](C(=O)O)[C@H]2C3)c1 ZINC000587364088 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN[C@H](C(=O)O)[C@@H]2C3)c1 ZINC000587364090 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN[C@@H](C(=O)O)[C@H]2C3)c1 ZINC000587364092 HH Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2CN[C@@H](C(=O)O)[C@@H]2C3)c1 ZINC000587364097 HH Annotated Anodyne Cc1nn(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)c(C)c1Br ZINC000587365049 HH Annotated Anodyne CCc1cc2c(O)nc(O)nc2nc1-c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587365062 HH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1c(Br)cc(Br)cc1C3 ZINC000587365199 HH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)cc(Br)c1CC3 ZINC000587365358 HH Annotated Anodyne O=[N+]([O-])c1ccc(OCc2ccccc2)c(F)c1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587367959 HH Annotated Bother Cc1nc2nc(O)nc(O)c2cc1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587368104 HH Annotated Mild O=C(CCc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1F)OCc1ccccc1 ZINC000587368146 HH Annotated Anodyne O=[N+]([O-])c1ccc(COc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2F)cc1 ZINC000587368208 HH Annotated Bother Cc1nc2nc(O)nc(O)c2cc1Cc1c(C)nc2ccc(C(=O)O)cc2c1Cl ZINC000587368389 HH Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@@H](C)c3ccc4c(O)nc(O)nc4n3)cc2oc1=O ZINC000587368552 HH Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)c3ccc4c(O)nc(O)nc4n3)cc2oc1=O ZINC000587368553 HH Annotated Anodyne O=C(O)[C@@H](c1cccc(Cl)c1)c1cc2c(O)nc(O)nc2nc1-c1ccccc1 ZINC000587368558 HH Annotated Anodyne O=C(O)[C@H](c1cccc(Cl)c1)c1cc2c(O)nc(O)nc2nc1-c1ccccc1 ZINC000587368559 HH Annotated Anodyne Oc1nc(O)c2ccc([C@H](Br)Cc3ccc(F)c(F)c3F)nc2n1 ZINC000587368676 HH Annotated Reactive Oc1nc(O)c2ccc([C@@H](Br)Cc3ccc(F)c(F)c3F)nc2n1 ZINC000587368680 HH Annotated Reactive O=C(Cc1ccc2c(O)nc(O)nc2n1)Oc1c(Cl)cc(Cl)cc1Cl ZINC000587368811 HH Annotated Anodyne Oc1nc(O)c2ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2n1 ZINC000587369120 HH Annotated Mild Oc1nc(O)c2cc(CCCCc3nc4ccccc4[nH]3)c(C(F)(F)F)nc2n1 ZINC000587369121 HH Annotated Anodyne CCOC(=O)CSC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369159 HH Annotated Anodyne CCOC(=O)CSC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369160 HH Annotated Anodyne CCOC(=O)CSC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369161 HH Annotated Anodyne CCOC(=O)CSC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369162 HH Annotated Anodyne O=C(O)[C@@H](c1ccc(Cl)cc1)c1cc2c(O)nc(O)nc2nc1-c1ccccc1 ZINC000587369259 HH Annotated Anodyne O=C(O)[C@H](c1ccc(Cl)cc1)c1cc2c(O)nc(O)nc2nc1-c1ccccc1 ZINC000587369260 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CC(C(=O)O)(c3cccc(Br)c3)C1)O2 ZINC000587370046 HH Annotated Anodyne CCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 ZINC000587370054 HH Annotated Anodyne CCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 ZINC000587370055 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(Br)c(Cl)cc21 ZINC000587370092 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(Br)c(Cl)cc21 ZINC000587370093 HH Annotated Anodyne COc1cccc(OC)c1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370412 HH Annotated Reactive COc1cccc(OC)c1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370413 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)CCC(=O)N3)O2 ZINC000587370414 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)CCC(=O)N3)O2 ZINC000587370419 HH Annotated Reactive CCc1cc(Br)cc2c1NC(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370494 HH Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370495 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370556 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370557 HH Annotated Anodyne Cc1nc(O)nc(S)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370737 HH Annotated Anodyne Cc1nc(O)nc(S)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370740 HH Annotated Anodyne Cc1nc(O)nc(S)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370742 HH Annotated Anodyne Cc1nc(O)nc(S)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370744 HH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@H](N(Cc1ccccc1)Cc1ccccc1)C3 ZINC000587371140 HH Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C3 ZINC000587371149 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(Cl)c(Br)cc21 ZINC000587371319 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(Cl)c(Br)cc21 ZINC000587371320 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cccc(Br)n1)O2 ZINC000587371452 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cccc(Br)n1)O2 ZINC000587371454 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cccc(Br)n1)O2 ZINC000587371456 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cccc(Br)n1)O2 ZINC000587371457 HH Annotated Anodyne COC(=O)CCn1c(C)cc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587371483 HH Annotated Reactive COC(=O)CCn1c(C)cc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587371487 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(o1)C(=O)C(Br)=CC3=O)O2 ZINC000587371535 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(o1)C(=O)C(Br)=CC3=O)O2 ZINC000587371536 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@@H]1COc3ccccc3O1)O2 ZINC000587371663 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@H]1COc3ccccc3O1)O2 ZINC000587371667 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@H]1COc3ccccc3O1)O2 ZINC000587371668 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@@H]1COc3ccccc3O1)O2 ZINC000587371669 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3ccc(Br)cc31)O2 ZINC000587371828 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)Oc3ccc(Br)cc31)O2 ZINC000587371830 HH Annotated Anodyne COC(=O)c1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371842 HH Annotated Reactive COC(=O)c1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587371843 HH Annotated Reactive CCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(C)cc(Br)c21 ZINC000587371993 HH Annotated Anodyne CCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(C)cc(Br)c21 ZINC000587372000 HH Annotated Anodyne COC(=O)c1cccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587372075 HH Annotated Reactive COC(=O)c1cccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587372076 HH Annotated Reactive CC(=O)NCCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372141 HH Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372143 HH Annotated Reactive CC(=O)NCCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372145 HH Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372147 HH Annotated Reactive CCOC(=O)[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372172 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372173 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Cl)cc(Br)cc21 ZINC000587372179 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Cl)cc(Br)cc21 ZINC000587372182 HH Annotated Anodyne CCCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 ZINC000587372194 HH Annotated Anodyne CCCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 ZINC000587372198 HH Annotated Anodyne COc1ccc(OC)c([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587372259 HH Annotated Reactive COc1ccc(OC)c([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587372262 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(cc1Br)OCCO3)O2 ZINC000587372351 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(cc1Br)OCCO3)O2 ZINC000587372354 HH Annotated Anodyne COc1cc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-] ZINC000587372417 HH Annotated Reactive COc1cc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-] ZINC000587372424 HH Annotated Reactive CC(=O)NCCCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372511 HH Annotated Reactive COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587372513 HH Annotated Reactive CC(=O)NCCCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372514 HH Annotated Reactive COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587372515 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)OCCCO3)O2 ZINC000587372551 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)OCCCO3)O2 ZINC000587372554 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3cc(Br)ccc31)O2 ZINC000587372599 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)Oc3cc(Br)ccc31)O2 ZINC000587372601 HH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372918 HH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372920 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Br)cnc1Br)O2 ZINC000587373054 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Br)cnc1Br)O2 ZINC000587373063 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(cc1Br)NC(=O)CO3)O2 ZINC000587373286 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(cc1Br)NC(=O)CO3)O2 ZINC000587373299 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)cc3nc(N)oc13)O2 ZINC000587373416 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)cc3nc(N)oc13)O2 ZINC000587373420 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C ZINC000587373648 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN3CCOCC3)c(Cl)c1)O2 ZINC000587373658 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C ZINC000587373659 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C ZINC000587373660 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN3CCOCC3)c(Cl)c1)O2 ZINC000587373661 HH Annotated Anodyne COC(=O)[C@@H]1CSCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587373704 HH Annotated Anodyne COC(=O)[C@@H]1CSCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587373706 HH Annotated Anodyne COC(=O)[C@@H]1CSCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587373708 HH Annotated Anodyne COC(=O)[C@@H]1CSCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587373709 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C ZINC000587373750 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c([N+](=O)[O-])cc(Br)cc31)O2 ZINC000587374364 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c([N+](=O)[O-])cc(Br)cc31)O2 ZINC000587374371 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Br)cc(Cl)cc21 ZINC000587374478 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Br)cc(Cl)cc21 ZINC000587374480 HH Annotated Anodyne COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587374526 HH Annotated Reactive COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 ZINC000587374529 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1nccn1C)O2 ZINC000587374686 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1nccn1C)O2 ZINC000587374695 HH Annotated Bother CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374763 HH Annotated Bother CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374778 HH Annotated Bother COC(=O)[C@@H]1SC[C@H](C)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587374790 HH Annotated Anodyne COC(=O)[C@@H]1SC[C@H](C)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587374793 HH Annotated Anodyne COC(=O)[C@@H]1SC[C@H](C)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587374796 HH Annotated Anodyne COC(=O)[C@@H]1SC[C@H](C)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587374797 HH Annotated Anodyne CCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(Br)cc21 ZINC000587374839 HH Annotated Anodyne CCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(Br)cc21 ZINC000587374841 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C(=O)O)=COc2ccc(Br)cc21 ZINC000587374854 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C(=O)O)=COc2ccc(Br)cc21 ZINC000587374858 HH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374864 HH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374866 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(Br)c(Br)n1C)O2 ZINC000587374885 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(Br)c(Br)n1C)O2 ZINC000587374887 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O[C@H](C)C(=O)O)c(Br)c1)O2 ZINC000587375105 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O[C@@H](C)C(=O)O)c(Br)c1)O2 ZINC000587375110 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O[C@@H](C)C(=O)O)c(Br)c1)O2 ZINC000587375114 HH Annotated Anodyne CCOC(=O)[C@@H]1CSC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587375115 HH Annotated Anodyne CCOC(=O)[C@@H]1CSC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587375116 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O[C@H](C)C(=O)O)c(Br)c1)O2 ZINC000587375117 HH Annotated Anodyne CCOC(=O)[C@@H]1CSC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587375118 HH Annotated Anodyne CCOC(=O)[C@@H]1CSC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587375120 HH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375347 HH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375349 HH Annotated Anodyne CCOC(=O)[C@]1(CCBr)CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587375413 HH Annotated Reactive CCOC(=O)[C@@]1(CCBr)CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587375414 HH Annotated Reactive CCOC(=O)[C@@]1(CCBr)CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587375415 HH Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587375416 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)OCCO3)O2 ZINC000587375433 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)OCCO3)O2 ZINC000587375434 HH Annotated Reactive Cc1ccc([C@@]2([C@@H](Br)CC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587375474 HH Annotated Reactive Cc1ccc([C@]2([C@@H](Br)CC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587375475 HH Annotated Reactive Cc1ccc([C@]2([C@H](Br)CC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587375477 HH Annotated Reactive Cc1ccc([C@@]2([C@H](Br)CC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587375479 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1O[C@H](C)C(=O)O)O2 ZINC000587375504 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1O[C@@H](C)C(=O)O)O2 ZINC000587375505 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1O[C@@H](C)C(=O)O)O2 ZINC000587375506 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1O[C@H](C)C(=O)O)O2 ZINC000587375508 HH Annotated Anodyne COc1c(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1OC ZINC000587375673 HH Annotated Anodyne COc1c(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1OC ZINC000587375676 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCO3)([C@H](C)Br)O2 ZINC000587375884 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCO3)([C@@H](C)Br)O2 ZINC000587375886 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCO3)([C@H](C)Br)O2 ZINC000587375888 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCO3)([C@@H](C)Br)O2 ZINC000587375890 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Br)CC(=O)O)O2 ZINC000587375913 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Br)CC(=O)O)O2 ZINC000587375915 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](Br)CC(=O)O)O2 ZINC000587375916 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](Br)CC(=O)O)O2 ZINC000587375918 HH Annotated Reactive CCOC(=O)[C@@H]1CSCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587375931 HH Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587375935 HH Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587375938 HH Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587375940 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1N1CCOCC1)O2 ZINC000587375965 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1N1CCOCC1)O2 ZINC000587375970 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN(C)C)c(Br)c1)O2 ZINC000587376192 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN(C)C)c(Br)c1)O2 ZINC000587376198 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)CBr)c1)O2 ZINC000587376368 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)CBr)c1)O2 ZINC000587376369 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(N)=O)c1)O2 ZINC000587376577 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(N)=O)c1)O2 ZINC000587376579 HH Annotated Anodyne COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587376899 HH Annotated Reactive COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587376900 HH Annotated Reactive CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376925 HH Annotated Reactive CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376930 HH Annotated Reactive CCOC(=O)[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376931 HH Annotated Reactive CCOC(=O)[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376933 HH Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587376996 HH Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587376998 HH Annotated Reactive CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377041 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377042 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)c(Br)c1)O2 ZINC000587377118 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)c(Br)c1)O2 ZINC000587377121 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1N1CCOCC1)O2 ZINC000587377148 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cccc1N1CCOCC1)O2 ZINC000587377150 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cnn1[C@@H]1CCCCO1)O2 ZINC000587377274 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cnn1[C@@H]1CCCCO1)O2 ZINC000587377283 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cnn1[C@H]1CCCCO1)O2 ZINC000587377286 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cnn1[C@H]1CCCCO1)O2 ZINC000587377289 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])O2 ZINC000587377477 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])O2 ZINC000587377478 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1OCCCO)O2 ZINC000587377499 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1OCCCO)O2 ZINC000587377507 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OCC(=O)O)O2 ZINC000587377841 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OCC(=O)O)O2 ZINC000587377844 HH Annotated Anodyne COC(=O)c1cc(Br)c(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587377917 HH Annotated Anodyne COC(=O)c1cc(Br)c(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587377920 HH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC#N ZINC000587377987 HH Annotated Mild COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC#N ZINC000587377988 HH Annotated Mild COC(=O)COc1ccc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377989 HH Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377990 HH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OC(C)=O ZINC000587378236 HH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1OC(C)=O ZINC000587378238 HH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC(C)=O ZINC000587378259 HH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC(C)=O ZINC000587378260 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(Br)c(Cl)c21 ZINC000587378323 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(Br)c(Cl)c21 ZINC000587378324 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587378394 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587378415 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587378419 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587378422 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587378460 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587378461 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587378462 HH Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587378463 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(CO)OC=C1OCc1ccccc1Cl)O2 ZINC000587378608 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(CO)OC=C1OCc1ccccc1Cl)O2 ZINC000587378615 HH Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378651 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587378652 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o1)O2 ZINC000587378657 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o1)O2 ZINC000587378682 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Cl)ccc2Oc2nc(N)c(C#N)cc21 ZINC000587378757 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2Oc2nc(N)c(C#N)cc21 ZINC000587378761 HH Annotated Mild CSc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)n1 ZINC000587378846 HH Annotated Anodyne CSc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)n1 ZINC000587378849 HH Annotated Anodyne CSc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)n1 ZINC000587378850 HH Annotated Anodyne CSc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)n1 ZINC000587378852 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1N1CCOCC1)O2 ZINC000587378925 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1N1CCOCC1)O2 ZINC000587378926 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)O)c(Br)c1)O2 ZINC000587378927 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)O)c(Br)c1)O2 ZINC000587378928 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)ccc1OCC(=O)O)O2 ZINC000587378965 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)ccc1OCC(=O)O)O2 ZINC000587378966 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)cc1Br)O2 ZINC000587378983 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)cc1Br)O2 ZINC000587378984 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379373 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379375 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379932 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379933 HH Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380496 HH Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380497 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381331 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381334 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)CCN(C(=O)C(F)(F)F)C3)O2 ZINC000587381429 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)CCN(C(=O)C(F)(F)F)C3)O2 ZINC000587381430 HH Annotated Anodyne CCOC(=O)[C@@]1(c2c(F)cccc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381795 HH Annotated Anodyne CCOC(=O)[C@]1(c2c(F)cccc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381796 HH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000587381946 HH Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCC(F)F ZINC000587381947 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587382026 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)cc1)O2 ZINC000587382027 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1cccc(C(F)(F)F)c1)O2 ZINC000587382028 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1cccc(C(F)(F)F)c1)O2 ZINC000587382029 HH Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587382059 HH Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587382064 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(OC)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382163 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(OC)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382164 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)CC(F)(F)F)cc1)O2 ZINC000587382296 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)CC(F)(F)F)cc1)O2 ZINC000587382301 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccccc1C(F)(F)F)O2 ZINC000587382302 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccccc1C(F)(F)F)O2 ZINC000587382303 HH Annotated Anodyne COc1cc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(F)cc1O ZINC000587382330 HH Annotated Reactive COc1cc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(F)cc1O ZINC000587382333 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)ccc1N(C)CC(=O)O)O2 ZINC000587382765 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)ccc1N(C)CC(=O)O)O2 ZINC000587382768 HH Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382889 HH Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382891 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3cccc(C(F)(F)F)c3)nn1)O2 ZINC000587383265 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3cccc(C(F)(F)F)c3)nn1)O2 ZINC000587383271 HH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383326 HH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383335 HH Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587383484 HH Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587383488 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)O2 ZINC000587383574 HH Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)O2 ZINC000587383577 HH Annotated Unstable CCOC(=O)[C@@]1(c2cccc(Br)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384179 HH Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Br)c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384181 HH Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(F)cc3F)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587384483 HH Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(F)cc3F)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587384484 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(O)c(O)c([N+](=O)[O-])c1)(c1ccccc1F)O2 ZINC000587384812 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(O)c(O)c([N+](=O)[O-])c1)(c1ccccc1F)O2 ZINC000587384814 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(I)ccc31)O2 ZINC000587385276 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(I)ccc31)O2 ZINC000587385277 HH Annotated Anodyne COc1ccc(I)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385290 HH Annotated Anodyne COc1ccc(I)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385291 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3ccc(I)cc31)O2 ZINC000587385461 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3ccc(I)cc31)O2 ZINC000587385471 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(I)cccc31)O2 ZINC000587385639 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(I)cccc31)O2 ZINC000587385640 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H](Br)CC(=O)O)O2 ZINC000587386029 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(I)n[nH]c3c1)O2 ZINC000587386037 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@@H](Br)CC(=O)O)O2 ZINC000587386038 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)([C@@H](Br)CC(=O)O)O2 ZINC000587386041 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)([C@H](Br)CC(=O)O)O2 ZINC000587386042 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(I)n[nH]c3c1)O2 ZINC000587386048 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccccc1I)O2 ZINC000587386252 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccccc1I)O2 ZINC000587386255 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c(I)n[nH]c13)O2 ZINC000587386343 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c(I)n[nH]c13)O2 ZINC000587386345 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)O2 ZINC000587386449 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)O2 ZINC000587386451 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)O2 ZINC000587386452 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)O2 ZINC000587386454 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccc3[nH]c(=N)[nH]c3c1)O2 ZINC000587386473 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccc3[nH]c(=N)[nH]c3c1)O2 ZINC000587386476 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(I)cc31)O2 ZINC000587386585 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(I)cc31)O2 ZINC000587386586 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(I)ccnc1Cl)O2 ZINC000587386711 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(I)ccnc1Cl)O2 ZINC000587386712 HH Annotated Anodyne COc1cccc(I)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386725 HH Annotated Anodyne COc1cccc(I)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386726 HH Annotated Anodyne CCN(C(C)=O)c1cccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587386800 HH Annotated Anodyne CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587386801 HH Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1C ZINC000587386860 HH Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1C ZINC000587386861 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(I)cc(C)c1N)O2 ZINC000587386885 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(I)cc(C)c1N)O2 ZINC000587386887 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3[nH]nc(I)c13)O2 ZINC000587386927 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3[nH]nc(I)c13)O2 ZINC000587386933 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3[nH]nc(I)c3c1)O2 ZINC000587387236 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3[nH]nc(I)c3c1)O2 ZINC000587387237 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3[nH]cc(I)c3c1)O2 ZINC000587387272 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3[nH]cc(I)c3c1)O2 ZINC000587387273 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCOc1cccc(I)c1)O2 ZINC000587387281 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCOc1cccc(I)c1)O2 ZINC000587387282 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)O2 ZINC000587387314 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)O2 ZINC000587387315 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)O2 ZINC000587387316 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)O2 ZINC000587387317 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c(I)c1)O2 ZINC000587387443 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c(I)c1)O2 ZINC000587387445 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(I)ccc1N)O2 ZINC000587387487 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(I)ccc1N)O2 ZINC000587387488 HH Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1I ZINC000587387499 HH Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1I ZINC000587387500 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc(I)cc1)O2 ZINC000587387547 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc(I)cc1)O2 ZINC000587387548 HH Annotated Mild CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@H](C)C(=O)N(C)C ZINC000587387551 HH Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000587387564 HH Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@H](C)C(=O)N(C)C ZINC000587387567 HH Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000587387569 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cccc(I)c1)O2 ZINC000587387585 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cccc(I)c1)O2 ZINC000587387587 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)NCc3ccco3)cc1)O2 ZINC000587387679 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)NCc3ccco3)cc1)O2 ZINC000587387680 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(I)cc1C(=O)O)O2 ZINC000587387741 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(I)cc1C(=O)O)O2 ZINC000587387742 HH Annotated Anodyne COc1ccc(I)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388014 HH Annotated Anodyne COc1ccc(I)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388015 HH Annotated Anodyne C#CCNC(=O)c1ccccc1[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388220 HH Annotated Mild C#CCNC(=O)c1ccccc1[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388221 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)O2 ZINC000587388245 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)O2 ZINC000587388246 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)O2 ZINC000587388247 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)O2 ZINC000587388248 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(N)c1)(c1ccc3c(c1)OCCO3)O2 ZINC000587388331 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(N)c1)(c1ccc3c(c1)OCCO3)O2 ZINC000587388332 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(C#N)c(N)nc2Oc2c(C)cc(C)cc21 ZINC000587388347 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(C#N)c(N)nc2Oc2c(C)cc(C)cc21 ZINC000587388348 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCn3nc([N+](=O)[O-])cc3C)c1)O2 ZINC000587388395 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCn3nc([N+](=O)[O-])cc3C)c1)O2 ZINC000587388396 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCn1nc([N+](=O)[O-])cc1C)O2 ZINC000587388571 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCn1nc([N+](=O)[O-])cc1C)O2 ZINC000587388572 HH Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587388641 HH Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587388642 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([N+](=O)[O-])cc1)(c1cc(C=O)n(C)c1)O2 ZINC000587388685 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([N+](=O)[O-])cc1)(c1cc(C=O)n(C)c1)O2 ZINC000587388686 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CCOCC1)([C@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587388725 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C1CCOCC1)([C@@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587388726 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CCOCC1)([C@@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587388728 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C1CCOCC1)([C@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587388729 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587389082 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(O)ccc([N+](=O)[O-])c21 ZINC000587389087 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](N=O)C(=O)Nc1cccnc1)O2 ZINC000587389342 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](N=O)C(=O)Nc1cccnc1)O2 ZINC000587389343 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](N=O)C(=O)Nc1cccnc1)O2 ZINC000587389344 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](N=O)C(=O)Nc1cccnc1)O2 ZINC000587389345 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](COC(=O)c1ccccc1N)(c1ccccc1)O2 ZINC000587389631 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](COC(=O)c1ccccc1N)(c1ccccc1)O2 ZINC000587389633 HH Annotated Anodyne COc1ccc(CN2C(=O)C[C@]3(C=C2C)CC(=O)c2cc(C)cc(N)c2O3)cc1OC ZINC000587389772 HH Annotated Anodyne COc1ccc(CN2C(=O)C[C@@]3(C=C2C)CC(=O)c2cc(C)cc(N)c2O3)cc1OC ZINC000587389784 HH Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587389875 HH Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587389886 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C/C1=C\N(C)C)O2 ZINC000587390077 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C/C1=C/N(C)C)O2 ZINC000587390082 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C/C1=C/N(C)C)O2 ZINC000587390083 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C/C1=C\N(C)C)O2 ZINC000587390084 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1N=CN(C)C)O2 ZINC000587390297 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1N=CN(C)C)O2 ZINC000587390301 HH Annotated Mild CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390371 HH Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390377 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)/C(=C/c2ccccc2[N+](=O)[O-])N2CCC1CC2 ZINC000587390562 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)/C(=C\c2ccccc2[N+](=O)[O-])N2CCC1CC2 ZINC000587390563 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)/C(=C/c2ccccc2[N+](=O)[O-])N2CCC1CC2 ZINC000587390564 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)/C(=C\c2ccccc2[N+](=O)[O-])N2CCC1CC2 ZINC000587390565 HH Annotated Bother COc1cncc(C(=O)Nc2ccccc2)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390592 HH Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390593 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(NC(=O)C3CC3)cc1)O2 ZINC000587390655 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(NC(=O)C3CC3)cc1)O2 ZINC000587390656 HH Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390819 HH Annotated Anodyne CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390820 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(N3C(=O)C=CC3=O)cc1)O2 ZINC000587391206 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(N3C(=O)C=CC3=O)cc1)O2 ZINC000587391209 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C1)O2 ZINC000587391232 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C1)O2 ZINC000587391235 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C1)O2 ZINC000587391237 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C1)O2 ZINC000587391238 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(/C=C/C(=O)O)n(C)c1)O2 ZINC000587391246 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(/C=C\C(=O)O)n(C)c1)O2 ZINC000587391248 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(/C=C/C(=O)O)n(C)c1)O2 ZINC000587391251 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(/C=C\C(=O)O)n(C)c1)O2 ZINC000587391253 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn1C)O2 ZINC000587391256 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn1C)O2 ZINC000587391257 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(N)c(C#N)cn1-c1ccc([N+](=O)[O-])cc1)O2 ZINC000587391315 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(N)c(C#N)cn1-c1ccc([N+](=O)[O-])cc1)O2 ZINC000587391316 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCn3nc([N+](=O)[O-])cc3C)cc1)O2 ZINC000587391325 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCn3nc([N+](=O)[O-])cc3C)cc1)O2 ZINC000587391326 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cccc([N+](=O)[O-])c21 ZINC000587391723 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cccc([N+](=O)[O-])c21 ZINC000587391724 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c([N+](=O)[O-])cccc21 ZINC000587391737 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c([N+](=O)[O-])cccc21 ZINC000587391738 HH Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587391830 HH Annotated Bother Cc1ccc([C@]2(c3ccc(CC(=O)O)n3C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587391831 HH Annotated Anodyne Cc1ccc([C@@]2(c3ccc(CC(=O)O)n3C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587391834 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21 ZINC000587391837 HH Annotated Bother COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cnc1N ZINC000587392168 HH Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cnc1N ZINC000587392169 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CCC#N)nc1-c1ccc3c(c1)OCO3)O2 ZINC000587392220 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CCC#N)nc1-c1ccc3c(c1)OCO3)O2 ZINC000587392222 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1C(=O)c3ccccc3C1=O)(c1ccccc1)O2 ZINC000587392277 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1C(=O)c3ccccc3C1=O)(c1ccccc1)O2 ZINC000587392282 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1ccc3c(c1)OCCCO3)O2 ZINC000587392334 HH Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587392335 HH Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3cccnc3)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587392336 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1ccc3c(c1)OCCCO3)O2 ZINC000587392346 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(CN3C(=O)c4ccccc4C3=O)CC1)O2 ZINC000587392683 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](COC1CCN(C(=O)OCc3ccccc3)CC1)O2 ZINC000587393353 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](COC1CCN(C(=O)OCc3ccccc3)CC1)O2 ZINC000587393354 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1C[C@H](C)O[C@@H](C)C1)O2 ZINC000587393403 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCN1C[C@H](C)O[C@H](C)C1)O2 ZINC000587393404 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1C[C@H](C)O[C@H](C)C1)O2 ZINC000587393405 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN1C[C@@H](C)O[C@H](C)C1)O2 ZINC000587393406 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(=O)N3CCCCC3)cc1)O2 ZINC000587393407 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(=O)N3CCCCC3)cc1)O2 ZINC000587393408 HH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccncc1 ZINC000587393840 HH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccncc1 ZINC000587393841 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCCCC3)nc3ccc(C)cn3c1=O)O2 ZINC000587393948 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCCCC3)nc3ccc(C)cn3c1=O)O2 ZINC000587393950 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3c(C(=O)O)noc3C)cc1)O2 ZINC000587394370 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3c(C(=O)O)noc3C)cc1)O2 ZINC000587394371 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCc3cc(C(=O)O)no3)c1)O2 ZINC000587394551 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCc3cc(C(=O)O)no3)c1)O2 ZINC000587394552 HH Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587394936 HH Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587394937 HH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCCCC1 ZINC000587395157 HH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCCCC1 ZINC000587395158 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3noc(CN4CCCC4)n3)cc1)O2 ZINC000587395224 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3noc(CN4CCCC4)n3)cc1)O2 ZINC000587395225 HH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1cccnc1 ZINC000587395824 HH Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1cccnc1 ZINC000587395825 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)OC(C)(C)C)/C1=C/N(C)C)O2 ZINC000587395832 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)OC(C)(C)C)/C1=C\N(C)C)O2 ZINC000587395835 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)OC(C)(C)C)/C1=C/N(C)C)O2 ZINC000587395837 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)OC(C)(C)C)/C1=C\N(C)C)O2 ZINC000587395838 HH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395865 HH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395868 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3c(C(=O)O)noc3C)c1)O2 ZINC000587395872 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3c(C(=O)O)noc3C)c1)O2 ZINC000587395873 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)N3CCCC3)c3ccccc13)O2 ZINC000587396611 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(=O)N3CCCC3)c3ccccc13)O2 ZINC000587396612 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)N3CCC(C)CC3)cc1)O2 ZINC000587396715 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)N3CCC(C)CC3)cc1)O2 ZINC000587396716 HH Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(C4CC4)CC(=O)c4cc(C)cc(N)c4O3)cc2[nH]1 ZINC000587396726 HH Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(C4CC4)CC(=O)c4cc(C)cc(N)c4O3)cc2[nH]1 ZINC000587396729 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587396904 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587396906 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587396907 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C)O2 ZINC000587396908 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1[C@@H]1COCCN1C(=O)OC(C)(C)C)O2 ZINC000587397282 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1[C@@H]1COCCN1C(=O)OC(C)(C)C)O2 ZINC000587397283 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1[C@H]1COCCN1C(=O)OC(C)(C)C)O2 ZINC000587397284 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1[C@H]1COCCN1C(=O)OC(C)(C)C)O2 ZINC000587397285 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(=O)N1CCC(C)CC1)O2 ZINC000587397308 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(=O)N1CCC(C)CC1)O2 ZINC000587397309 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccc(C)cc3nc1N1CCOCC1)O2 ZINC000587398362 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccc(C)cc3nc1N1CCOCC1)O2 ZINC000587398363 HH Annotated Anodyne CCc1c(C)[nH]c2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](CN1CCOCC1)CC2 ZINC000587398472 HH Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](CN1CCOCC1)CC2 ZINC000587398475 HH Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](CN1CCOCC1)CC2 ZINC000587398477 HH Annotated Anodyne CCc1c(C)[nH]c2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](CN1CCOCC1)CC2 ZINC000587398479 HH Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3O)CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587399037 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(OCC(=O)O)cc1)O2 ZINC000587399245 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(OCC(=O)O)cc1)O2 ZINC000587399246 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)O2 ZINC000587399276 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N3)O2 ZINC000587399277 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)O2 ZINC000587399280 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)O2 ZINC000587399282 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N3)O2 ZINC000587399286 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N3)O2 ZINC000587399287 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN1CCOCC1)(c1cc3ccccc3o1)O2 ZINC000587399625 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCN1CCOCC1)(c1cc3ccccc3o1)O2 ZINC000587399626 HH Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587399677 HH Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587399678 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc3c(c1)C(C)(C)C(=O)N3)O2 ZINC000587399705 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc3c(c1)C(C)(C)C(=O)N3)O2 ZINC000587399706 HH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399821 HH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399823 HH Annotated Anodyne CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCOCC1 ZINC000587400037 HH Annotated Anodyne CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCOCC1 ZINC000587400038 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(CC(=O)OC(C)(C)C)(CC(=O)OC(C)(C)C)O2 ZINC000587400750 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400844 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)cc(C)cc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400853 HH Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401090 HH Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401098 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCN(C)CC3)n(C)c3ccccc13)O2 ZINC000587401152 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCN(C)CC3)n(C)c3ccccc13)O2 ZINC000587401156 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(cc1C)N(C(=O)C(C)(C)C)CCO3)O2 ZINC000587401682 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(cc1C)N(C(=O)C(C)(C)C)CCO3)O2 ZINC000587401683 HH Annotated Anodyne COc1cc(OCCCC(=O)O)cc(OC)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402276 HH Annotated Anodyne COc1cc(OCCCC(=O)O)cc(OC)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402277 HH Annotated Anodyne COc1ccc([C@@]2(CCC(=O)CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402521 HH Annotated Anodyne COc1ccc([C@]2(CCC(=O)CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402526 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c1cc(O)c(C)c2O ZINC000587402730 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c1cc(O)c(C)c2O ZINC000587402733 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 ZINC000587403849 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 ZINC000587403850 HH Annotated Anodyne COc1ccc(C(=O)CC[C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587404634 HH Annotated Anodyne COc1ccc(C(=O)CC[C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587404644 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)cccc2C(=O)c2cc(C)cc(O)c21 ZINC000587405304 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)cccc2C(=O)c2cc(C)cc(O)c21 ZINC000587405305 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(O)c(C)c(O)c21 ZINC000587405989 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(O)c(C)c(O)c21 ZINC000587405990 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)O2 ZINC000587406296 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)O2 ZINC000587406298 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cc(C(=O)O)ccc2-c2ccc(C(=O)O)cc21 ZINC000587406404 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccc(Cl)c(Cl)c1)O2 ZINC000587407416 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccc(Cl)c(Cl)c1)O2 ZINC000587407417 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(C(=O)O)c(C(=O)O)c1)O2 ZINC000587407715 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(C(=O)O)c(C(=O)O)c1)O2 ZINC000587407716 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587407892 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587407897 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)s2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408343 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)s2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408344 HH Annotated Anodyne COC(=O)c1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587408672 HH Annotated Reactive COC(=O)c1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587408673 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(O)cc2OC(=O)[C@H]1c1ccccc1 ZINC000587408728 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(O)cc2OC(=O)[C@@H]1c1ccccc1 ZINC000587408732 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(O)cc2OC(=O)[C@@H]1c1ccccc1 ZINC000587408733 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(O)cc2OC(=O)[C@H]1c1ccccc1 ZINC000587408734 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(S(C)(=O)=O)c1)O2 ZINC000587408826 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(S(C)(=O)=O)c1)O2 ZINC000587408829 HH Annotated Anodyne COP(=O)(C[C@@]1(COc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)OC ZINC000587408835 HH Annotated Anodyne COP(=O)(C[C@]1(COc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1)OC ZINC000587408842 HH Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nncn1C ZINC000587408927 HH Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nncn1C ZINC000587408928 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(CC(=O)O)cc21 ZINC000587408984 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(CC(=O)O)cc21 ZINC000587408985 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N3CCCCC3)cc1)O2 ZINC000587409260 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N3CCCCC3)cc1)O2 ZINC000587409266 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc31)O2 ZINC000587409364 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc31)O2 ZINC000587409365 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1ccc(S(N)(=O)=O)cc1)O2 ZINC000587409720 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1ccc(S(N)(=O)=O)cc1)O2 ZINC000587409722 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(S(C)(=O)=O)cc3)nc1)O2 ZINC000587409956 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(S(C)(=O)=O)cc3)nc1)O2 ZINC000587409957 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccc(S(C)(=O)=O)cc3)n1)O2 ZINC000587409962 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccc(S(C)(=O)=O)cc3)n1)O2 ZINC000587409963 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587409980 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587409981 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(c2ccc(O)cc2)=COc2cc(O)cc(O)c21 ZINC000587410118 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(c2ccc(O)cc2)=COc2cc(O)cc(O)c21 ZINC000587410121 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(CC(=O)O)ccc21 ZINC000587410140 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(CC(=O)O)ccc21 ZINC000587410142 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2S(=O)(=O)c2cc(C#N)ccc21 ZINC000587410165 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2S(=O)(=O)c2cc(C#N)ccc21 ZINC000587410178 HH Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(=O)(=O)c1ccccc1)(c1ccccc1)O2 ZINC000587410561 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(=O)(=O)c1ccccc1)(c1ccccc1)O2 ZINC000587410562 HH Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587410639 HH Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587410640 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Cl)c(S(=O)(=O)Cl)cc31)O2 ZINC000587410666 HH Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Cl)c(S(=O)(=O)Cl)cc31)O2 ZINC000587410667 HH Annotated Unstable COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587410942 HH Annotated Anodyne COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 ZINC000587410947 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@H](Br)CC(=O)O)O2 ZINC000587411136 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@H](Br)CC(=O)O)O2 ZINC000587411139 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@@H](Br)CC(=O)O)O2 ZINC000587411142 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@@H](Br)CC(=O)O)O2 ZINC000587411144 HH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OC)c(OC)c1O)[C@@H](C2)C3=O ZINC000587411161 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OC)c(OC)c1O)[C@@H](C2)C3=O ZINC000587411185 HH Annotated Anodyne CCOC(=O)[C@@H](c1nc(C)cs1)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411199 HH Annotated Reactive CCOC(=O)[C@@H](c1nc(C)cs1)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411203 HH Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411205 HH Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411208 HH Annotated Reactive Cc1ccc(S(=O)(=O)n2cccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411420 HH Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411421 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCCCO)[C@@H](C2)C3=O ZINC000587411530 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCCCO)[C@@H](C2)C3=O ZINC000587411532 HH Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587411645 HH Annotated Anodyne COC(=O)c1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587411646 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)c(OC)nc1C)[C@@H](C2)C3=O ZINC000587411929 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Br)c(OC)nc1C)[C@@H](C2)C3=O ZINC000587411930 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N(C)C)cc1)[C@@H](C2)C3=O ZINC000587411975 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N(C)C)cc1)[C@@H](C2)C3=O ZINC000587411979 HH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(OC)cc(Br)cc1OC)[C@@H](C2)C3=O ZINC000587412100 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)cc(Br)cc1OC)[C@@H](C2)C3=O ZINC000587412102 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCC3OCCO3)cc1)(C1CCC1)O2 ZINC000587412184 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCC3OCCO3)cc1)(C1CCC1)O2 ZINC000587412195 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587412355 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587412358 HH Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587412497 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587412498 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OC)cc1OC)[C@@H](C2)C3=O ZINC000587412519 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OC)cc1OC)[C@@H](C2)C3=O ZINC000587412521 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(Br)c(Cl)c41)[C@@H](C2)C3=O ZINC000587412546 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(Br)c(Cl)c41)[C@@H](C2)C3=O ZINC000587412553 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)cnn1[C@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587412575 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)cnn1[C@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587412576 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)cnn1[C@@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587412577 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)cnn1[C@@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587412578 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587412643 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587412644 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(O)cc2)Oc2ccccc21 ZINC000587412689 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(O)cc2)Oc2ccccc21 ZINC000587412691 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(O)cc2)Oc2ccccc21 ZINC000587412693 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(O)cc2)Oc2ccccc21 ZINC000587412695 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1Br)[C@@H](C2)C3=O ZINC000587412716 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1Br)[C@@H](C2)C3=O ZINC000587412718 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587412875 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587412876 HH Annotated Reactive COC(=O)C[C@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587412966 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587412971 HH Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413008 HH Annotated Anodyne COC(=O)c1ccc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413009 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccccc1Br)[C@@H](C2)C3=O ZINC000587413025 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccccc1Br)[C@@H](C2)C3=O ZINC000587413027 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(OC)c1OC)[C@@H](C2)C3=O ZINC000587413046 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(OC)c1OC)[C@@H](C2)C3=O ZINC000587413047 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCCBr)c(OC)c1)[C@@H](C2)C3=O ZINC000587413048 HH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OCCBr)c(OC)c1)[C@@H](C2)C3=O ZINC000587413049 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1sc(-c3ccc(C)n3C)nc1C)O2 ZINC000587413070 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1sc(-c3ccc(C)n3C)nc1C)O2 ZINC000587413077 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCc2scnc2C)c2ccccc21 ZINC000587413161 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCc2scnc2C)c2ccccc21 ZINC000587413166 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccccc1 ZINC000587413204 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 ZINC000587413205 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccccc1 ZINC000587413206 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccccc1 ZINC000587413207 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC(C)=O)ccc1Br)[C@@H](C2)C3=O ZINC000587413377 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC(C)=O)ccc1Br)[C@@H](C2)C3=O ZINC000587413378 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O ZINC000587413411 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O ZINC000587413412 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccccc21 ZINC000587413490 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccccc21 ZINC000587413493 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccccc21 ZINC000587413494 HH Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccccc21 ZINC000587413496 HH Annotated Clean COc1cc2c3c(c1)O[C@H](c1c(Br)cc(OC)cc1OC)[C@@H](C2)C3=O ZINC000587413719 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)cc(OC)cc1OC)[C@@H](C2)C3=O ZINC000587413720 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587413747 HH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(Br)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587413752 HH Annotated Bother C=CCNc1nc(N)c([C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587413852 HH Annotated Mild C=CCNc1nc(N)c([C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587413853 HH Annotated Mild COc1cc2c3c(c1)O[C@@]([C@H](C)Br)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587414004 HH Annotated Reactive COc1cc2c3c(c1)OC([C@H](C)Br)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587414018 HH Annotated Reactive COc1cc2c3c(c1)OC([C@@H](C)Br)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587414020 HH Annotated Reactive COC(=O)c1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Br ZINC000587414050 HH Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Br ZINC000587414051 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1c(OC)cccc1OC)[C@@H](C2)C3=O ZINC000587414074 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1c(OC)cccc1OC)[C@@H](C2)C3=O ZINC000587414075 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(C(C)(C)Br)[C@@H](C2)C3=O ZINC000587414208 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(C(C)(C)Br)[C@@H](C2)C3=O ZINC000587414209 HH Annotated Reactive COCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br ZINC000587414318 HH Annotated Anodyne COCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br ZINC000587414320 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(Br)c1O)[C@@H](C2)C3=O ZINC000587414517 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(Br)c1O)[C@@H](C2)C3=O ZINC000587414518 HH Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)CBr)c1)[C@@H](C2)C3=O ZINC000587414526 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)CBr)c1)[C@@H](C2)C3=O ZINC000587414528 HH Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587414538 HH Annotated Reactive CCOC(=O)[C@@]1(CCBr)CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587414540 HH Annotated Reactive CCOC(=O)[C@@]1(CCBr)CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587414544 HH Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587414546 HH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCO4)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587414567 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCO4)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587414569 HH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCO4)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587414571 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCO4)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587414574 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(Br)c1N)[C@@H](C2)C3=O ZINC000587414588 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(Br)c1N)[C@@H](C2)C3=O ZINC000587414590 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000587414612 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000587414615 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000587414618 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 ZINC000587414620 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587414712 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587414715 HH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(Br)c(OC)c1)[C@@H](C2)C3=O ZINC000587414829 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(Br)c(OC)c1)[C@@H](C2)C3=O ZINC000587414831 HH Annotated Anodyne COC(=O)c1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587414868 HH Annotated Reactive COC(=O)c1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587414872 HH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Br)cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O ZINC000587414878 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O ZINC000587414880 HH Annotated Bother COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)CCO4)[C@@H](C2)C3=O ZINC000587414922 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)CCO4)[C@@H](C2)C3=O ZINC000587414923 HH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(Br)cc1OC)[C@@H](C2)C3=O ZINC000587414945 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(Br)cc1OC)[C@@H](C2)C3=O ZINC000587414947 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414950 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587414954 HH Annotated Anodyne COC(=O)c1cccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587414958 HH Annotated Reactive COC(=O)c1cccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587414959 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587415220 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587415221 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587415329 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O ZINC000587415330 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587415410 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587415411 HH Annotated Reactive CCC(CC)(C(=O)OC)[C@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587415602 HH Annotated Reactive CCC(CC)(C(=O)OC)[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587415603 HH Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587415616 HH Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1 ZINC000587415617 HH Annotated Reactive CC(=O)N1CCc2sc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)cc2C1 ZINC000587415805 HH Annotated Reactive CC(=O)N1CCc2sc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)cc2C1 ZINC000587415806 HH Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1NC(=O)c3c(-c4ccccc4)csc3N1)O2 ZINC000587415952 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1NC(=O)c3c(-c4ccccc4)csc3N1)O2 ZINC000587415954 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1NC(=O)c3c(-c4ccccc4)csc3N1)O2 ZINC000587415956 HH Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1NC(=O)c3c(-c4ccccc4)csc3N1)O2 ZINC000587415959 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587415986 HH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587415987 HH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587415988 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587415989 HH Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(Br)c(Cl)cc41)[C@@H](C2)C3=O ZINC000587416432 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(Br)c(Cl)cc41)[C@@H](C2)C3=O ZINC000587416433 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(C#N)=COc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416438 HH Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(C#N)=COc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416439 HH Annotated Reactive COC(=O)CCn1c(C)cc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587416503 HH Annotated Reactive COC(=O)CCn1c(C)cc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587416504 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1Br)OCCO4)[C@@H](C2)C3=O ZINC000587416635 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1Br)OCCO4)[C@@H](C2)C3=O ZINC000587416638 HH Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416708 HH Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416709 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ncc[nH]1)[C@@H](C2)C3=O ZINC000587416842 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(CCNC(C)=O)cc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587416851 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(CCNC(C)=O)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587416852 HH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(CCNC(C)=O)cc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587416853 HH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(CCNC(C)=O)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587416854 HH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ncc[nH]1)[C@@H](C2)C3=O ZINC000587416864 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(c4cccc(Br)c4)C1)[C@@H](C2)C3=O ZINC000587416894 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(c4cccc(Br)c4)C1)[C@@H](C2)C3=O ZINC000587416896 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Br)cc(Cl)cc41)[C@@H](C2)C3=O ZINC000587417101 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Br)cc(Cl)cc41)[C@@H](C2)C3=O ZINC000587417104 HH Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417141 HH Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417142 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417277 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417279 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)cc4nc(N)oc14)[C@@H](C2)C3=O ZINC000587417427 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Br)cc4nc(N)oc14)[C@@H](C2)C3=O ZINC000587417430 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417445 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417447 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)C[C@@H](C)N4C(C)=O)[C@@H](C2)C3=O ZINC000587417489 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)C[C@H](C)N4C(C)=O)[C@@H](C2)C3=O ZINC000587417491 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)C[C@H](C)N4C(C)=O)[C@@H](C2)C3=O ZINC000587417494 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)C[C@@H](C)N4C(C)=O)[C@@H](C2)C3=O ZINC000587417495 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccc(Br)n1)[C@@H](C2)C3=O ZINC000587417750 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccc(Br)n1)[C@@H](C2)C3=O ZINC000587417751 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cccc(Br)n1)[C@@H](C2)C3=O ZINC000587417752 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cccc(Br)n1)[C@@H](C2)C3=O ZINC000587417753 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587417910 HH Annotated Bother COC(=O)c1c(C)[nH]c([C@@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587417912 HH Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587417914 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587417915 HH Annotated Bother COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Cl)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587417916 HH Annotated Anodyne COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587417919 HH Annotated Reactive COC(=O)c1c(C)[nH]c([C@@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587417921 HH Annotated Reactive COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587417924 HH Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4cc(OC)ccc4C[C@@H]1Br)[C@@H](C2)C3=O ZINC000587418048 HH Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4cc(OC)ccc4C[C@@H]1Br)[C@@H](C2)C3=O ZINC000587418050 HH Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4cc(OC)ccc4C[C@H]1Br)[C@@H](C2)C3=O ZINC000587418053 HH Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4cc(OC)ccc4C[C@H]1Br)[C@@H](C2)C3=O ZINC000587418054 HH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCN4C(C)=O)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587418226 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCN4C(C)=O)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587418228 HH Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCN4C(C)=O)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587418230 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCN4C(C)=O)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587418231 HH Annotated Reactive CCOC(=O)[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418258 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418260 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587418283 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587418285 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1cncnc1)[C@@H](C2)C3=O ZINC000587418465 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1cncnc1)[C@@H](C2)C3=O ZINC000587418468 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C2)C3=O ZINC000587418520 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C2)C3=O ZINC000587418522 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4cccc(C(F)(F)F)c4)nn1)[C@@H](C2)C3=O ZINC000587418568 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4cccc(C(F)(F)F)c4)nn1)[C@@H](C2)C3=O ZINC000587418577 HH Annotated Anodyne COc1ccc2c(c1)C[C@@H](Br)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418589 HH Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418593 HH Annotated Reactive COc1ccc2c(c1)C[C@H](Br)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418595 HH Annotated Reactive COc1ccc2c(c1)C[C@@H](Br)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418597 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)([C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](C2)C3=O ZINC000587418729 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](C2)C3=O ZINC000587418734 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587418750 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587418753 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587418844 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587418848 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccc1N(C)CC(=O)O)[C@@H](C2)C3=O ZINC000587418935 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccc1N(C)CC(=O)O)[C@@H](C2)C3=O ZINC000587418936 HH Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 ZINC000587419203 HH Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Cl)c1 ZINC000587419205 HH Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 ZINC000587419336 HH Annotated Reactive COC(=O)c1ccc2[nH]cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2c1 ZINC000587419341 HH Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587419639 HH Annotated Reactive CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587419641 HH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Br)c4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587419733 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587419734 HH Annotated Anodyne CCOC(=O)c1[nH]c(C)c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587419813 HH Annotated Reactive CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587419815 HH Annotated Reactive COc1cc2c3c(c1)O[C@@H](C1(c4cccc(Br)c4)COC1)[C@@H](C2)C3=O ZINC000587419940 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1(c4cccc(Br)c4)COC1)[C@@H](C2)C3=O ZINC000587419941 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587419973 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587419975 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(Br)c([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587419982 HH Annotated Bother COc1cc2c3c(c1)O[C@@]1(CCc4cc(Br)c([N+](=O)[O-])cc41)[C@@H](C2)C3=O ZINC000587419986 HH Annotated Bother COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587420032 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cccc(Br)c1)[C@@H](C2)C3=O ZINC000587420034 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420233 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420274 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCN(C(=O)C(F)(F)F)C4)[C@@H](C2)C3=O ZINC000587420313 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCN(C(=O)C(F)(F)F)C4)[C@@H](C2)C3=O ZINC000587420316 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(Cl)c(Br)cc41)[C@@H](C2)C3=O ZINC000587420431 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(Cl)c(Br)cc41)[C@@H](C2)C3=O ZINC000587420433 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420632 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420633 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](NC(=O)C(F)(F)F)c4ccsc41)[C@@H](C2)C3=O ZINC000587420831 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](NC(=O)C(F)(F)F)c4ccsc41)[C@@H](C2)C3=O ZINC000587420837 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](NC(=O)C(F)(F)F)c4ccsc41)[C@@H](C2)C3=O ZINC000587420840 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](NC(=O)C(F)(F)F)c4ccsc41)[C@@H](C2)C3=O ZINC000587420844 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(OC)c1OC(F)F)[C@@H](C2)C3=O ZINC000587420963 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(OC)c1OC(F)F)[C@@H](C2)C3=O ZINC000587420964 HH Annotated Bother COC(=O)c1cc(Br)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587421032 HH Annotated Anodyne COC(=O)c1cc(Br)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587421033 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587421208 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587421219 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(N)=O)c1)[C@@H](C2)C3=O ZINC000587421276 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(N)=O)c1)[C@@H](C2)C3=O ZINC000587421289 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4ccccc4N/C1=C\Cl)[C@@H](C2)C3=O ZINC000587421304 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4ccccc4N/C1=C\Cl)[C@@H](C2)C3=O ZINC000587421306 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CN1C(=O)c4ccccc4N/C1=C/Cl)[C@@H](C2)C3=O ZINC000587421308 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CN1C(=O)c4ccccc4N/C1=C/Cl)[C@@H](C2)C3=O ZINC000587421309 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nnn(Cc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O ZINC000587421465 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nnn(Cc4ccc(Cl)cc4)c1C)[C@@H](C2)C3=O ZINC000587421467 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cn4cc(Cl)c([N+](=O)[O-])n4)o1)[C@@H](C2)C3=O ZINC000587421500 HH Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(Cn4cc(Cl)c([N+](=O)[O-])n4)o1)[C@@H](C2)C3=O ZINC000587421515 HH Annotated Bother CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421571 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421572 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(N4CCCC4)nc1Cl)[C@@H](C2)C3=O ZINC000587421693 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(N4CCCC4)nc1Cl)[C@@H](C2)C3=O ZINC000587421696 HH Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2n1C ZINC000587422155 HH Annotated Anodyne COC(=O)c1cc2nc(Cl)c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2n1C ZINC000587422156 HH Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4ncccc4C(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587422212 HH Annotated Anodyne CCOC(=O)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422312 HH Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422314 HH Annotated Anodyne CCOC(=O)[C@@]1([C@H](C#N)c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422375 HH Annotated Mild CCOC(=O)[C@@]1([C@@H](C#N)c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422376 HH Annotated Mild CCOC(=O)[C@]1([C@@H](C#N)c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422379 HH Annotated Mild CCOC(=O)[C@]1([C@H](C#N)c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422382 HH Annotated Mild COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422582 HH Annotated Anodyne COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422597 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587422611 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587422614 HH Annotated Bother CCOC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422651 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422653 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(Cl)cc1OC)[C@@H](C2)C3=O ZINC000587422727 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1OC)[C@@H](C2)C3=O ZINC000587422729 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ncnc1NCc1ccccc1)[C@@H](C2)C3=O ZINC000587422808 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ncnc1NCc1ccccc1)[C@@H](C2)C3=O ZINC000587422811 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587422821 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587422824 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587422825 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587422826 HH Annotated Anodyne COC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422856 HH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422858 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)[C@@H](C2)C3=O ZINC000587422879 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)[C@@H](C2)C3=O ZINC000587422880 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)[C@@H](C2)C3=O ZINC000587422882 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)[C@@H](C2)C3=O ZINC000587422884 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422973 HH Annotated Anodyne COC(=O)C[C@]1(c2ccccc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422977 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422979 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422986 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(OC)c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587423203 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(OC)c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587423205 HH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587423286 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587423287 HH Annotated Bother CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423370 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423372 HH Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423509 HH Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423510 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(/C=C\C(=O)O)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423542 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(/C=C\C(=O)O)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423543 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(/C=C/C(=O)O)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423544 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(/C=C/C(=O)O)=COc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587423545 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587423812 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587423822 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587423824 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)([C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587423826 HH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(F)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587424317 HH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(Br)c(F)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587424321 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])c(Br)cc1F)[C@@H](C2)C3=O ZINC000587424351 HH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])c(Br)cc1F)[C@@H](C2)C3=O ZINC000587424354 HH Annotated Bother COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C(F)(F)F)cc(Cl)cc41)[C@@H](C2)C3=O ZINC000587424571 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C(F)(F)F)cc(Cl)cc41)[C@@H](C2)C3=O ZINC000587424572 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1cc(OC)c(O)cc1F)[C@@H](C2)C3=O ZINC000587424597 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(OC)c(O)cc1F)[C@@H](C2)C3=O ZINC000587424598 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(F)c1OC)[C@@H](C2)C3=O ZINC000587424785 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cccc(F)c1OC)[C@@H](C2)C3=O ZINC000587424786 HH Annotated Reactive CCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587425469 HH Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587425472 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(I)c1)[C@@H](C2)C3=O ZINC000587426322 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(I)c1)[C@@H](C2)C3=O ZINC000587426324 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)cccc1I)[C@@H](C2)C3=O ZINC000587426325 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1I)[C@@H](C2)C3=O ZINC000587426329 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(I)cccc1OC)[C@@H](C2)C3=O ZINC000587426370 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(I)cccc1OC)[C@@H](C2)C3=O ZINC000587426371 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(OC)c1F)[C@@H](C2)C3=O ZINC000587426418 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cccc(OC)c1F)[C@@H](C2)C3=O ZINC000587426419 HH Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 ZINC000587426439 HH Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 ZINC000587426440 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587426455 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587426456 HH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1I)[C@@H](C2)C3=O ZINC000587426583 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1I)[C@@H](C2)C3=O ZINC000587426584 HH Annotated Anodyne C#CCNC(=O)c1ccccc1[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426599 HH Annotated Mild C#CCNC(=O)c1ccccc1[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426603 HH Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(I)c1)[C@@H](C2)C3=O ZINC000587426619 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(I)c1)[C@@H](C2)C3=O ZINC000587426622 HH Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587426643 HH Annotated Anodyne CCN(CC)C(=O)COc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587426645 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1I)[C@@H](C2)C3=O ZINC000587426741 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1I)[C@@H](C2)C3=O ZINC000587426751 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(F)c1I)[C@@H](C2)C3=O ZINC000587426754 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(F)c1I)[C@@H](C2)C3=O ZINC000587426756 HH Annotated Anodyne COCCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426904 HH Annotated Anodyne COCCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426905 HH Annotated Anodyne COCCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426906 HH Annotated Anodyne COCCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426907 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)ccc1OC)[C@@H](C2)C3=O ZINC000587427003 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)ccc1OC)[C@@H](C2)C3=O ZINC000587427005 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587427260 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587427262 HH Annotated Anodyne CCN1CCN(c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2F)CC1 ZINC000587427350 HH Annotated Anodyne CCN1CCN(c2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2F)CC1 ZINC000587427351 HH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427531 HH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427534 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(N)c1)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587427574 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(N)c1)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587427577 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(I)ccc1N)[C@@H](C2)C3=O ZINC000587427668 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(I)ccc1N)[C@@H](C2)C3=O ZINC000587427670 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(I)cc1F)[C@@H](C2)C3=O ZINC000587428003 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(I)cc1F)[C@@H](C2)C3=O ZINC000587428006 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1I)[C@@H](C2)C3=O ZINC000587428057 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1I)[C@@H](C2)C3=O ZINC000587428059 HH Annotated Anodyne CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587428199 HH Annotated Anodyne CCN(C(C)=O)c1cccc([C@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587428202 HH Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1F ZINC000587428453 HH Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1F ZINC000587428460 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(I)ccc41)[C@@H](C2)C3=O ZINC000587428642 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(I)ccc41)[C@@H](C2)C3=O ZINC000587428643 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c(I)c1)[C@@H](C2)C3=O ZINC000587428733 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(I)c1)[C@@H](C2)C3=O ZINC000587428734 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(I)cccc41)[C@@H](C2)C3=O ZINC000587428750 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(I)cccc41)[C@@H](C2)C3=O ZINC000587428751 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(I)c1)[C@@H](C2)C3=O ZINC000587428773 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)cc(I)c1)[C@@H](C2)C3=O ZINC000587428775 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)ccc1F)[C@@H](C2)C3=O ZINC000587428780 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)ccc1F)[C@@H](C2)C3=O ZINC000587428782 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccc4[nH]c(=N)[nH]c4c1)[C@@H](C2)C3=O ZINC000587428831 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccc4[nH]c(=N)[nH]c4c1)[C@@H](C2)C3=O ZINC000587428832 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)[C@@H](C2)C3=O ZINC000587428870 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)[C@@H](C2)C3=O ZINC000587428871 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)[C@@H](C2)C3=O ZINC000587428872 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccncc1)[C@@H](C2)C3=O ZINC000587428873 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc4c(cc1F)NC(=O)CC4)[C@@H](C2)C3=O ZINC000587429004 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc4c(cc1F)NC(=O)CC4)[C@@H](C2)C3=O ZINC000587429006 HH Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587429411 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587429413 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(I)c1)[C@@H](C2)C3=O ZINC000587429425 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(I)c1)[C@@H](C2)C3=O ZINC000587429426 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(I)c(F)c1)[C@@H](C2)C3=O ZINC000587429632 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(I)c(F)c1)[C@@H](C2)C3=O ZINC000587429633 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)NC(C)C)c4ccccc14)[C@@H](C2)C3=O ZINC000587429754 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)NC(C)C)c4ccccc14)[C@@H](C2)C3=O ZINC000587429756 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4ccc(I)cc41)[C@@H](C2)C3=O ZINC000587429766 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4ccc(I)cc41)[C@@H](C2)C3=O ZINC000587429771 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cc(F)ccc1OC)[C@@H](C2)C3=O ZINC000587429796 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(F)ccc1OC)[C@@H](C2)C3=O ZINC000587429798 HH Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cn(-c4ncccn4)c4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587429822 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ncccn4)c4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587429826 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(CC#N)ccc41)[C@@H](C2)C3=O ZINC000587430097 HH Annotated Mild COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(CC#N)ccc41)[C@@H](C2)C3=O ZINC000587430101 HH Annotated Mild CCc1cccc2c([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn(CC(=O)O)c12 ZINC000587430202 HH Annotated Anodyne CCc1cccc2c([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn(CC(=O)O)c12 ZINC000587430205 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCn4nc([N+](=O)[O-])cc4C)cc1)[C@@H](C2)C3=O ZINC000587430222 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OCn4nc([N+](=O)[O-])cc4C)cc1)[C@@H](C2)C3=O ZINC000587430223 HH Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O ZINC000587430238 HH Annotated Bother COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O ZINC000587430245 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccccc1OCn1nc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O ZINC000587430385 HH Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccccc1OCn1nc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O ZINC000587430386 HH Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(CC#N)cc41)[C@@H](C2)C3=O ZINC000587430492 HH Annotated Mild COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(CC#N)cc41)[C@@H](C2)C3=O ZINC000587430493 HH Annotated Mild COc1cc2c3c(c1)O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)[C@@H](C2)C3=O ZINC000587430538 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)[C@@H](C2)C3=O ZINC000587430540 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)[C@@H](C2)C3=O ZINC000587430542 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)[C@@H](C2)C3=O ZINC000587430544 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587430627 HH Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc([N+](=O)[O-])c41)[C@@H](C2)C3=O ZINC000587430628 HH Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o1)[C@@H](C2)C3=O ZINC000587430683 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o1)[C@@H](C2)C3=O ZINC000587430684 HH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1C#N)[C@@H](C2)C3=O ZINC000587430708 HH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1C#N)[C@@H](C2)C3=O ZINC000587430709 HH Annotated Mild COc1ccc(-c2nn(CCC#N)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587430921 HH Annotated Mild COc1ccc(-c2nn(CCC#N)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587430928 HH Annotated Mild CCOC(=O)c1nn(-c2ccccc2)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430934 HH Annotated Anodyne CCOC(=O)c1nn(-c2ccccc2)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430937 HH Annotated Anodyne CCc1nccn1Cc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587431118 HH Annotated Anodyne CCc1nccn1Cc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587431119 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4nn(C)cc4[N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587431350 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4nn(C)cc4[N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587431355 HH Annotated Bother COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1N)[C@@H](C2)C3=O ZINC000587431415 HH Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1N)[C@@H](C2)C3=O ZINC000587431417 HH Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)c4cc(C)on4)c1)[C@@H](C2)C3=O ZINC000587431429 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)c4cc(C)on4)c1)[C@@H](C2)C3=O ZINC000587431432 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431474 HH Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431475 HH Annotated Bother COc1cc2c3c(c1)O[C@@](COC(=O)c1ccccc1N)(c1ccccc1)[C@@H](C2)C3=O ZINC000587431506 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](COC(=O)c1ccccc1N)(c1ccccc1)[C@@H](C2)C3=O ZINC000587431509 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1nn(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431518 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1nn(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431520 HH Annotated Bother COc1cc2c3c(c1)O[C@H](c1c(NC(=O)OC(C)(C)C)cncc1OC)[C@@H](C2)C3=O ZINC000587431528 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(NC(=O)OC(C)(C)C)cncc1OC)[C@@H](C2)C3=O ZINC000587431529 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cn(CC(=O)O)c4ccccc14)(C1CC1)[C@@H](C2)C3=O ZINC000587431981 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cn(CC(=O)O)c4ccccc14)(C1CC1)[C@@H](C2)C3=O ZINC000587431982 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4ccccn4)cc1)[C@@H](C2)C3=O ZINC000587432037 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4ccccn4)cc1)[C@@H](C2)C3=O ZINC000587432043 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCn4nc([N+](=O)[O-])cc4C)c1)[C@@H](C2)C3=O ZINC000587432249 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccc(OCn4nc([N+](=O)[O-])cc4C)c1)[C@@H](C2)C3=O ZINC000587432251 HH Annotated Bother COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(/C=C/C(=O)O)n(C)c1)[C@@H](C2)C3=O ZINC000587432287 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(/C=C\C(=O)O)n(C)c1)[C@@H](C2)C3=O ZINC000587432288 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(/C=C/C(=O)O)n(C)c1)[C@@H](C2)C3=O ZINC000587432292 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(/C=C\C(=O)O)n(C)c1)[C@@H](C2)C3=O ZINC000587432295 HH Annotated Anodyne CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432337 HH Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432339 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C1CCOCC1)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587432446 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C1CCOCC1)([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587432449 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C1CCOCC1)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587432450 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C1CCOCC1)([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587432452 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(N)c1)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587432470 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(N)c1)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587432474 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC(=O)Nc1cccnc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587432514 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC(=O)Nc1cccnc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587432515 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nn(C(=O)OC(C)(C)C)c4ncccc14)[C@@H](C2)C3=O ZINC000587432551 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nn(C(=O)OC(C)(C)C)c4ncccc14)[C@@H](C2)C3=O ZINC000587432552 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4)c1N=CN(C)C)[C@@H](C2)C3=O ZINC000587432571 HH Annotated Mild COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4)c1N=CN(C)C)[C@@H](C2)C3=O ZINC000587432572 HH Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccc(CC(=O)O)n1C)[C@@H](C2)C3=O ZINC000587432641 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccc(CC(=O)O)n1C)[C@@H](C2)C3=O ZINC000587432642 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(OC)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432698 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(OC)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432699 HH Annotated Bother CCn1ccc(C(=O)Oc2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)n1 ZINC000587432751 HH Annotated Anodyne CCn1ccc(C(=O)Oc2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)n1 ZINC000587432754 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C2)C3=O ZINC000587432885 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C2)C3=O ZINC000587432887 HH Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)n1 ZINC000587432966 HH Annotated Anodyne CCn1ccc(C(=O)Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)n1 ZINC000587432967 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1OC)[C@@H](C2)C3=O ZINC000587433076 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1OC)[C@@H](C2)C3=O ZINC000587433077 HH Annotated Bother COC(=O)c1cc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cnc1N ZINC000587433106 HH Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cnc1N ZINC000587433107 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)nc1-c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O ZINC000587433371 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1-c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O ZINC000587433372 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1N)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587433505 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1N)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587433506 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)cncc1C(=O)Nc1ccccc1)[C@@H](C2)C3=O ZINC000587433528 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)cncc1C(=O)Nc1ccccc1)[C@@H](C2)C3=O ZINC000587433537 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(N)cc1)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587433743 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587433744 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(OCCN)cc1)[C@@H](C2)C3=O ZINC000587433794 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(OCCN)cc1)[C@@H](C2)C3=O ZINC000587433795 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4cnc(N)c(C(=O)O)c4)cc1)[C@@H](C2)C3=O ZINC000587434038 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cnc(N)c(C(=O)O)c4)cc1)[C@@H](C2)C3=O ZINC000587434039 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Oc4nn(C)cc4[N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434357 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4nn(C)cc4[N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434358 HH Annotated Bother COc1cc2c3c(c1)O[C@]1(/C(=C/c4ccccc4[N+](=O)[O-])N4CCC1CC4)[C@@H](C2)C3=O ZINC000587434628 HH Annotated Bother COc1cc2c3c(c1)O[C@@]1(/C(=C\c4ccccc4[N+](=O)[O-])N4CCC1CC4)[C@@H](C2)C3=O ZINC000587434629 HH Annotated Bother COc1cc2c3c(c1)O[C@@]1(/C(=C/c4ccccc4[N+](=O)[O-])N4CCC1CC4)[C@@H](C2)C3=O ZINC000587434630 HH Annotated Bother COc1cc2c3c(c1)O[C@]1(/C(=C\c4ccccc4[N+](=O)[O-])N4CCC1CC4)[C@@H](C2)C3=O ZINC000587434631 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)c4ccc([N+](=O)[O-])cc4)cn1C)[C@@H](C2)C3=O ZINC000587434670 HH Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(C(=O)c4ccc([N+](=O)[O-])cc4)cn1C)[C@@H](C2)C3=O ZINC000587434671 HH Annotated Bother COc1cc2c3c(c1)O[C@@](Cc1ccccn1)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587434738 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccn1)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587434739 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nnn(-c4cccc5ncccc45)c1C)[C@@H](C2)C3=O ZINC000587434768 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nnn(-c4cccc5ncccc45)c1C)[C@@H](C2)C3=O ZINC000587434769 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc([N+](=O)[O-])ccc1OC)[C@@H](C2)C3=O ZINC000587434794 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc([N+](=O)[O-])ccc1OC)[C@@H](C2)C3=O ZINC000587434795 HH Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc4n1CCN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587434827 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4n1CCN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587434848 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OCc4cc(C(=O)O)no4)c1)[C@@H](C2)C3=O ZINC000587434860 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OCc4cc(C(=O)O)no4)c1)[C@@H](C2)C3=O ZINC000587434861 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4c(C(=O)O)noc4C)c1)[C@@H](C2)C3=O ZINC000587434896 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCc4c(C(=O)O)noc4C)c1)[C@@H](C2)C3=O ZINC000587434898 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCc1c(C)[nH]c4ccc(OC)cc4c1=O)[C@@H](C2)C3=O ZINC000587434919 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCc1c(C)[nH]c4ccc(OC)cc4c1=O)[C@@H](C2)C3=O ZINC000587434921 HH Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc3ccccc3n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434961 HH Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc3ccccc3n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434963 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(N4C(=O)c5ccccc5C4=O)c1)[C@@H](C2)C3=O ZINC000587434984 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(N4C(=O)c5ccccc5C4=O)c1)[C@@H](C2)C3=O ZINC000587434985 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)N4CCC(C)CC4)cc1)[C@@H](C2)C3=O ZINC000587434989 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4CCC(C)CC4)cc1)[C@@H](C2)C3=O ZINC000587434992 HH Annotated Anodyne COCOc1ccc([C@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587435057 HH Annotated Anodyne COCOc1ccc([C@@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587435059 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4cccnc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587435082 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4cccnc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587435083 HH Annotated Anodyne COCOc1cccc([C@]2(c3ccccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587435143 HH Annotated Anodyne COCOc1cccc([C@@]2(c3ccccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587435146 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587435171 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587435175 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4)nn4ccnc(O)c14)[C@@H](C2)C3=O ZINC000587435360 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4)nn4ccnc(O)c14)[C@@H](C2)C3=O ZINC000587435362 HH Annotated Anodyne COCOc1ccc([C@]2(c3ccccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587435445 HH Annotated Anodyne COCOc1ccc([C@@]2(c3ccccn3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587435446 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCCCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587435508 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCCCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587435510 HH Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(CN4C(=O)c5ccccc5C4=O)CC1)[C@@H](C2)C3=O ZINC000587435571 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(CN4CCCC4)c(C#N)c4ccccn14)[C@@H](C2)C3=O ZINC000587435718 HH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1c(CN4CCCC4)c(C#N)c4ccccn14)[C@@H](C2)C3=O ZINC000587435719 HH Annotated Mild COCOc1ccccc1[C@]1(c2ccncc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435784 HH Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccncc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435786 HH Annotated Anodyne COCOc1cccc([C@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587435880 HH Annotated Anodyne COCOc1cccc([C@@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587435881 HH Annotated Anodyne COCOc1ccccc1[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435896 HH Annotated Anodyne COCOc1ccccc1[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435897 HH Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587436065 HH Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587436066 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4c(C(=O)O)noc4C)cc1)[C@@H](C2)C3=O ZINC000587436094 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4c(C(=O)O)noc4C)cc1)[C@@H](C2)C3=O ZINC000587436095 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@H]1CN4C(=O)OCc1ccccc1)[C@@H](C2)C3=O ZINC000587436259 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4C[C@H]1CN4C(=O)OCc1ccccc1)[C@@H](C2)C3=O ZINC000587436260 HH Annotated Anodyne COCOc1cccc([C@@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587436309 HH Annotated Anodyne COCOc1cccc([C@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587436310 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H]4CC[C@H]1N(C(=O)OCc1ccccc1)C4)[C@@H](C2)C3=O ZINC000587436624 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4CC[C@H]1N(C(=O)OCc1ccccc1)C4)[C@@H](C2)C3=O ZINC000587436625 HH Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436660 HH Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436661 HH Annotated Anodyne COCOc1ccc([C@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587436779 HH Annotated Anodyne COCOc1ccc([C@@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587436780 HH Annotated Anodyne CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436804 HH Annotated Anodyne CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436806 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4ccncc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587436961 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4ccncc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587436963 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C4CCN(CC4)[C@H]1Cc1ccccc1OC)[C@@H](C2)C3=O ZINC000587437135 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C4CCN(CC4)[C@H]1Cc1ccccc1OC)[C@@H](C2)C3=O ZINC000587437136 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C4CCN(CC4)[C@@H]1Cc1ccccc1OC)[C@@H](C2)C3=O ZINC000587437137 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C4CCN(CC4)[C@@H]1Cc1ccccc1OC)[C@@H](C2)C3=O ZINC000587437138 HH Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(C4CC4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[nH]1 ZINC000587437163 HH Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(C4CC4)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[nH]1 ZINC000587437164 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587437205 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587437206 HH Annotated Anodyne COC(=O)CCc1c(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccn12 ZINC000587437228 HH Annotated Anodyne COC(=O)CCc1c(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccn12 ZINC000587437229 HH Annotated Anodyne CCOC(=O)C1(c2ccncc2)CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437310 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587437457 HH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587437461 HH Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(=O)N1CCC(C)CC1)[C@@H](C2)C3=O ZINC000587437622 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(=O)N1CCC(C)CC1)[C@@H](C2)C3=O ZINC000587437623 HH Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437828 HH Annotated Anodyne CCN(CC)C(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437833 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587438261 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587438264 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587438265 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587438266 HH Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)CC1 ZINC000587438395 HH Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)CC1 ZINC000587438397 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N4)[C@@H](C2)C3=O ZINC000587438587 HH Annotated Clean COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N4)[C@@H](C2)C3=O ZINC000587438588 HH Annotated Clean COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N4)[C@@H](C2)C3=O ZINC000587438589 HH Annotated Clean COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N4)[C@@H](C2)C3=O ZINC000587438590 HH Annotated Clean COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N4)[C@@H](C2)C3=O ZINC000587438591 HH Annotated Clean COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N4)[C@@H](C2)C3=O ZINC000587438592 HH Annotated Clean COc1cc2c3c(c1)O[C@]1(/C(=C/c4ccccc4OC)N4CCC1CC4)[C@@H](C2)C3=O ZINC000587438799 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(/C(=C/c4ccccc4OC)N4CCC1CC4)[C@@H](C2)C3=O ZINC000587438803 HH Annotated Anodyne COC(=O)C1CCN(c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)CC1 ZINC000587438806 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(/C(=C\c4ccccc4OC)N4CCC1CC4)[C@@H](C2)C3=O ZINC000587438807 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(/C(=C\c4ccccc4OC)N4CCC1CC4)[C@@H](C2)C3=O ZINC000587438808 HH Annotated Anodyne COC(=O)C1CCN(c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)CC1 ZINC000587438809 HH Annotated Anodyne COc1cc2c3c(c1)OC(CC(=O)OC(C)(C)C)(CC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587439186 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439441 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)cc(C)cc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439446 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)c(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439459 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)c(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439460 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCC(C(=O)O)CC4)cc1)[C@@H](C2)C3=O ZINC000587439468 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCC(C(=O)O)CC4)cc1)[C@@H](C2)C3=O ZINC000587439469 HH Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587439489 HH Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587439492 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1C[C@H](C)O[C@H](C)C1)[C@@H](C2)C3=O ZINC000587439542 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1C[C@@H](C)O[C@H](C)C1)[C@@H](C2)C3=O ZINC000587439547 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCCN1C[C@H](C)O[C@@H](C)C1)[C@@H](C2)C3=O ZINC000587439548 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCN1C[C@H](C)O[C@H](C)C1)[C@@H](C2)C3=O ZINC000587439552 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@H](N4C(=O)c5ccccc5C4=O)C1)[C@@H](C2)C3=O ZINC000587439920 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H](N4C(=O)c5ccccc5C4=O)C1)[C@@H](C2)C3=O ZINC000587439921 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H](N4C(=O)c5ccccc5C4=O)C1)[C@@H](C2)C3=O ZINC000587439922 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H](N4C(=O)c5ccccc5C4=O)C1)[C@@H](C2)C3=O ZINC000587439923 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1CCCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587440296 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1CCCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587440298 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587440300 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1CCCN(C(=O)OCc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587440301 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587440405 HH Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587440406 HH Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587440407 HH Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587440409 HH Annotated Mild C=CN1CCCC[C@H]([C@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587440505 HH Annotated Anodyne C=CN1CCCC[C@@H]([C@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587440506 HH Annotated Anodyne C=CN1CCCC[C@@H]([C@@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587440507 HH Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3ccncc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587440508 HH Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@H]4CN(C(=O)OCc5ccccc5)C[C@@H]4C1)[C@@H](C2)C3=O ZINC000587440737 HH Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@@H]4CN(C(=O)OCc5ccccc5)C[C@H]4C1)[C@@H](C2)C3=O ZINC000587440749 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CN(C(=O)OCc5ccccc5)C[C@@H]4C1)[C@@H](C2)C3=O ZINC000587440753 HH Annotated Anodyne COc1ccc([C@@]2(c3ccccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587440759 HH Annotated Anodyne COc1ccc([C@]2(c3ccccc3O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587440776 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(C(C)(C)N1CCOCC1)[C@@H](C2)C3=O ZINC000587441062 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(C(C)(C)N1CCOCC1)[C@@H](C2)C3=O ZINC000587441065 HH Annotated Anodyne COc1ccc([C@]2(CCC(=O)CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441243 HH Annotated Anodyne COc1ccc([C@@]2(CCC(=O)CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441266 HH Annotated Anodyne C=CN1CCCC[C@H]([C@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587441495 HH Annotated Anodyne C=CN1CCCC[C@@H]([C@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587441497 HH Annotated Anodyne C=CN1CCCC[C@@H]([C@@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587441498 HH Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(c3cccnc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587441500 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4noc(CN5CCCC5)n4)cc1)[C@@H](C2)C3=O ZINC000587441651 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4noc(CN5CCCC5)n4)cc1)[C@@H](C2)C3=O ZINC000587441654 HH Annotated Anodyne COc1ccc(C(=O)CC[C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441791 HH Annotated Anodyne COc1ccc(C(=O)CC[C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441796 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4cc(OC(C)(C)C(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587441959 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4cc(OC(C)(C)C(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587441960 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587442064 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587442069 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1OC)([C@@H]1CCC[C@H]1C(=O)O)[C@@H](C2)C3=O ZINC000587442769 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1OC)([C@@H]1CCC[C@H]1C(=O)O)[C@@H](C2)C3=O ZINC000587442995 HH Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CN1CCOCC1 ZINC000587443186 HH Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CN1CCOCC1 ZINC000587443189 HH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443242 HH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443243 HH Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1N1CCCCC1 ZINC000587443922 HH Annotated Anodyne COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1N1CCCCC1 ZINC000587443927 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1CCCC(=O)O)[C@@H](C2)C3=O ZINC000587444202 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1CCCC(=O)O)[C@@H](C2)C3=O ZINC000587444205 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587444285 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587444300 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCN1CCOCC1)(c1cc4ccccc4o1)[C@@H](C2)C3=O ZINC000587444438 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCN1CCOCC1)(c1cc4ccccc4o1)[C@@H](C2)C3=O ZINC000587444439 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444621 HH Annotated Anodyne CCOC(=O)[C@@H](CC)[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444622 HH Annotated Anodyne CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444623 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444624 HH Annotated Anodyne COc1cc2c3c(c1)OC1(CC4(CN(C(=O)OCc5ccccc5)C4)C1)[C@@H](C2)C3=O ZINC000587444893 HH Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445106 HH Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445107 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445167 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445173 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4ccc(C)cc4nc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587445284 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccc(C)cc4nc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587445285 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)N4CCCC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587445354 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)N4CCCC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587445355 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(=O)N1CCCCC1)[C@@H](C2)C3=O ZINC000587445370 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(=O)N1CCCCC1)[C@@H](C2)C3=O ZINC000587445372 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCN(C(=O)OC(C)(C)C)/C1=C\N(C)C)[C@@H](C2)C3=O ZINC000587445611 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCN(C(=O)OC(C)(C)C)/C1=C\N(C)C)[C@@H](C2)C3=O ZINC000587445612 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCN(C(=O)OC(C)(C)C)/C1=C/N(C)C)[C@@H](C2)C3=O ZINC000587445613 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCN(C(=O)OC(C)(C)C)/C1=C/N(C)C)[C@@H](C2)C3=O ZINC000587445614 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc4c(cc1C)N(C(=O)C(C)(C)C)CCO4)[C@@H](C2)C3=O ZINC000587445634 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc4c(cc1C)N(C(=O)C(C)(C)C)CCO4)[C@@H](C2)C3=O ZINC000587445635 HH Annotated Anodyne CCCCN1CC2CN(CCCC)CC(C1)C21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445653 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4nc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587445704 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4ccccc4nc1N1CCOCC1)[C@@H](C2)C3=O ZINC000587445705 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCC5(CC4)OCCO5)cc1)[C@@H](C2)C3=O ZINC000587445928 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCC5(CC4)OCCO5)cc1)[C@@H](C2)C3=O ZINC000587445933 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccc(S(C)(=O)=O)cc4)n1)[C@@H](C2)C3=O ZINC000587447528 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccc(S(C)(=O)=O)cc4)n1)[C@@H](C2)C3=O ZINC000587447529 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@]1(CS(=O)(=O)Cl)C4(C)C)[C@@H](C2)C3=O ZINC000587447692 HH Annotated Unstable COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@@]1(CS(=O)(=O)Cl)C4(C)C)[C@@H](C2)C3=O ZINC000587447693 HH Annotated Unstable COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CC[C@@]1(CS(=O)(=O)Cl)C4(C)C)[C@@H](C2)C3=O ZINC000587447694 HH Annotated Unstable COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@@]1(CS(=O)(=O)Cl)C4(C)C)[C@@H](C2)C3=O ZINC000587447695 HH Annotated Unstable COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@]1(CS(=O)(=O)Cl)C4(C)C)[C@@H](C2)C3=O ZINC000587447696 HH Annotated Unstable COc1cc2c3c(c1)O[C@]1(C[C@@H]4CC[C@@]1(CS(=O)(=O)Cl)C4(C)C)[C@@H](C2)C3=O ZINC000587447697 HH Annotated Unstable COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)c(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O ZINC000587447872 HH Annotated Unstable COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)c(S(=O)(=O)Cl)c1)[C@@H](C2)C3=O ZINC000587447873 HH Annotated Unstable COc1cc2c3c(c1)O[C@](COc1ccccc1)(CP(=O)(OC)OC)[C@@H](C2)C3=O ZINC000587447941 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1ccccc1)(CP(=O)(OC)OC)[C@@H](C2)C3=O ZINC000587447944 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4O[C@@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587448076 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448078 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4O[C@@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587448080 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4O[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587448081 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4O[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587448083 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448086 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](OCc1ccccc1)[C@H]1COC(C)(C)O1)[C@@H](C2)C3=O ZINC000587448091 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](OCc1ccccc1)[C@@H]1COC(C)(C)O1)[C@@H](C2)C3=O ZINC000587448092 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](OCc1ccccc1)[C@@H]1COC(C)(C)O1)[C@@H](C2)C3=O ZINC000587448093 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](OCc1ccccc1)[C@H]1COC(C)(C)O1)[C@@H](C2)C3=O ZINC000587448094 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(O)c(C)c(O)c41)[C@@H](C2)C3=O ZINC000587448212 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(O)c(C)c(O)c41)[C@@H](C2)C3=O ZINC000587448213 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(S(C)(=O)=O)cc4)nc1)[C@@H](C2)C3=O ZINC000587448370 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(S(C)(=O)=O)cc4)nc1)[C@@H](C2)C3=O ZINC000587448371 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(S(=O)(=O)Cl)ccc1Cl)[C@@H](C2)C3=O ZINC000587448598 HH Annotated Unstable COc1cc2c3c(c1)O[C@@](C)(c1cc(S(=O)(=O)Cl)ccc1Cl)[C@@H](C2)C3=O ZINC000587448599 HH Annotated Unstable COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448602 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448603 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587448911 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587448912 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587448915 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)[C@@H](C2)C3=O ZINC000587448916 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(SC)nc1Nc1ccccc1)[C@@H](C2)C3=O ZINC000587448984 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(SC)nc1Nc1ccccc1)[C@@H](C2)C3=O ZINC000587448987 HH Annotated Anodyne CCOC(=O)[C@@H](c1nc(C)cs1)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449001 HH Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(S(=O)(=O)O)cc4)o1)[C@@H](C2)C3=O ZINC000587449004 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(S(=O)(=O)O)cc4)o1)[C@@H](C2)C3=O ZINC000587449005 HH Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449008 HH Annotated Reactive CCOC(=O)[C@@H](c1nc(C)cs1)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449010 HH Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449012 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCC(=O)O)(CCC(=O)c1cccs1)[C@@H](C2)C3=O ZINC000587449125 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(CCC(=O)c1cccs1)[C@@H](C2)C3=O ZINC000587449149 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4c(O)cccc4C(=O)c4cc(C)cc(O)c41)[C@@H](C2)C3=O ZINC000587449251 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(O)cccc4C(=O)c4cc(C)cc(O)c41)[C@@H](C2)C3=O ZINC000587449254 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(N4CCOCC4)=CSc4ccccc41)[C@@H](C2)C3=O ZINC000587449319 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(N4CCOCC4)=CSc4ccccc41)[C@@H](C2)C3=O ZINC000587449323 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccn1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587449372 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccn1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587449375 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1NC(=O)c4c(-c5ccccc5)csc4N1)[C@@H](C2)C3=O ZINC000587449396 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1NC(=O)c4c(-c5ccccc5)csc4N1)[C@@H](C2)C3=O ZINC000587449406 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1NC(=O)c4c(-c5ccccc5)csc4N1)[C@@H](C2)C3=O ZINC000587449410 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1NC(=O)c4c(-c5ccccc5)csc4N1)[C@@H](C2)C3=O ZINC000587449412 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccn1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587449597 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccn1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587449600 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(=O)(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587449611 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(=O)(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587449614 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)NC(=O)CS4)[C@@H](C2)C3=O ZINC000587450024 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)NC(=O)CS4)[C@@H](C2)C3=O ZINC000587450031 HH Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(C(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587450056 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)Cc4nc(N)sc41)[C@@H](C2)C3=O ZINC000587450085 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)Cc4nc(N)sc41)[C@@H](C2)C3=O ZINC000587450087 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)Cc4nc(N)sc41)[C@@H](C2)C3=O ZINC000587450088 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)Cc4nc(N)sc41)[C@@H](C2)C3=O ZINC000587450092 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc(O)cc4OC(=O)[C@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587450104 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4OC(=O)[C@@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587450111 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc(O)cc4OC(=O)[C@@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587450113 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4OC(=O)[C@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587450114 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(S(=O)(=O)Cl)cc1)(C(C)C)[C@@H](C2)C3=O ZINC000587450208 HH Annotated Unstable COc1cc2c3c(c1)O[C@@](c1ccc(S(=O)(=O)Cl)cc1)(C(C)C)[C@@H](C2)C3=O ZINC000587450209 HH Annotated Unstable COc1cc2c3c(c1)O[C@@H](c1sc(Br)c4c1OCCO4)[C@@H](C2)C3=O ZINC000587450247 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(Br)c4c1OCCO4)[C@@H](C2)C3=O ZINC000587450258 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(C(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587450450 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c1cc(O)c(C)c4O)[C@@H](C2)C3=O ZINC000587450467 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c1cc(O)c(C)c4O)[C@@H](C2)C3=O ZINC000587450469 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc(C(=O)O)c41)[C@@H](C2)C3=O ZINC000587450548 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc(C(=O)O)c41)[C@@H](C2)C3=O ZINC000587450551 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(SC)cc1)(c1[nH]c(O)nc1C)[C@@H](C2)C3=O ZINC000587450558 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(SC)cc1)(c1[nH]c(O)nc1C)[C@@H](C2)C3=O ZINC000587450559 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccs1)(c1sc(C)nc1C(=O)O)[C@@H](C2)C3=O ZINC000587450758 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccs1)(c1sc(C)nc1C(=O)O)[C@@H](C2)C3=O ZINC000587450761 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c4nsnc14)[C@@H](C2)C3=O ZINC000587451129 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)c4nsnc14)[C@@H](C2)C3=O ZINC000587451133 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587451346 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587451348 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587451349 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587451352 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4ccc(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O ZINC000587451383 HH Annotated Unstable COc1cc2c3c(c1)O[C@@]1(CCCc4ccc(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O ZINC000587451389 HH Annotated Unstable COc1cc2c3c(c1)O[C@](CSc1nccn1C)(c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587451455 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1nccn1C)(c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587451457 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(SCC(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587451665 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(SCC(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587451666 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(O)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587451685 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(O)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587451690 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587451691 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587451694 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cccc(O)c4C(=O)c4c(O)cc(C)cc41)[C@@H](C2)C3=O ZINC000587451926 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc(O)c4C(=O)c4c(O)cc(C)cc41)[C@@H](C2)C3=O ZINC000587451930 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1sc(-c4ccc(C)n4C)nc1C)[C@@H](C2)C3=O ZINC000587452113 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1sc(-c4ccc(C)n4C)nc1C)[C@@H](C2)C3=O ZINC000587452115 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc(O)cc4OC[C@@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587452220 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc(O)cc4OC[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587452222 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4OC[C@@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587452225 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4OC[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587452227 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CSCC(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587452276 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSCC(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587452277 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(C(=O)O)cccc41)[C@@H](C2)C3=O ZINC000587452825 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(C(=O)O)cccc41)[C@@H](C2)C3=O ZINC000587452829 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(CNC(C)=O)s1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587453230 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(C(=O)O)cc1)(c1cccc(O)c1)[C@@H](C2)C3=O ZINC000587453237 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(=O)O)cc1)(c1cccc(O)c1)[C@@H](C2)C3=O ZINC000587453238 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(CNC(C)=O)s1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587453239 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(CNC(C)=O)s1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587453241 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(CNC(C)=O)s1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587453242 HH Annotated Reactive CCOC(=O)[C@@]1(c2ccc(Br)s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453475 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587453480 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)CCC(=O)O)(c1cccs1)[C@@H](C2)C3=O ZINC000587453609 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)CCC(=O)O)(c1cccs1)[C@@H](C2)C3=O ZINC000587453610 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccs1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587453814 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cccs1)([C@@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587453816 HH Annotated Reactive COc1cc2c3c(c1)O[C@](c1cccs1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587453818 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cccs1)([C@H](Br)CC(=O)O)[C@@H](C2)C3=O ZINC000587453820 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1sc4c(c1C)C(=O)N/C(=C\Cl)N4)[C@@H](C2)C3=O ZINC000587453930 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc4c(c1C)C(=O)N/C(=C/Cl)N4)[C@@H](C2)C3=O ZINC000587453933 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc4c(c1C)C(=O)N/C(=C\Cl)N4)[C@@H](C2)C3=O ZINC000587453937 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc4c(c1C)C(=O)N/C(=C/Cl)N4)[C@@H](C2)C3=O ZINC000587453939 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc4c(s1)CCN(C(C)=O)C4)[C@@H](C2)C3=O ZINC000587453986 HH Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc4c(s1)CCN(C(C)=O)C4)[C@@H](C2)C3=O ZINC000587453989 HH Annotated Reactive COc1cc2c3c(c1)O[C@](CCC(=O)CCC(=O)O)(c1ccc(C)s1)[C@@H](C2)C3=O ZINC000587454144 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)CCC(=O)O)(c1ccc(C)s1)[C@@H](C2)C3=O ZINC000587454147 HH Annotated Anodyne COC(=O)c1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587454435 HH Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587454436 HH Annotated Reactive COC(=O)c1cc(Br)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587454477 HH Annotated Anodyne COC(=O)c1cc(Br)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587454478 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccnc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587454532 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587454534 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccncc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587454576 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587454578 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc(OC)c4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587454679 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cccc(OC)c4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587454680 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C1/SCC(=O)N1C)(c1ccccc1C)[C@@H](C2)C3=O ZINC000587454699 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C1/SCC(=O)N1C)(c1ccccc1C)[C@@H](C2)C3=O ZINC000587454700 HH Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CN4CCSCC4)c1)[C@@H](C2)C3=O ZINC000587454707 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CN4CCSCC4)c1)[C@@H](C2)C3=O ZINC000587454708 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(OC)ccc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587454794 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(OC)ccc4Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587454795 HH Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OCC4OCCO4)cc1)(C1CCC1)[C@@H](C2)C3=O ZINC000587455754 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OCC4OCCO4)cc1)(C1CCC1)[C@@H](C2)C3=O ZINC000587455756 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)cc4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587455757 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)cc4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587455758 HH Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)cc4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587455761 HH Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)cc4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587455764 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC(=O)CBr)(C(C)(C)C)CC2=O ZINC000587456086 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CNC(=O)CBr)(C(C)(C)C)CC2=O ZINC000587456087 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(C1(C(=O)OCC)CC1)CC2=O ZINC000587456481 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(C1(C(=O)OCC)CC1)CC2=O ZINC000587456482 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Br)cc(C(=O)O)n1C)CC2=O ZINC000587456770 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cc(C(=O)O)n1C)CC2=O ZINC000587456772 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(Br)cc1O)CC2=O ZINC000587456832 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(Br)cc1O)CC2=O ZINC000587456833 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2ccc(Br)cc21 ZINC000587457243 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2ccc(Br)cc21 ZINC000587457245 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(Br)cc21 ZINC000587457503 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(Br)cc21 ZINC000587457504 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(Br)ccc21 ZINC000587457813 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(Br)ccc21 ZINC000587457814 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cccc(Br)c21 ZINC000587457925 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cccc(Br)c21 ZINC000587457926 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Br)cccc21 ZINC000587457979 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Br)cccc21 ZINC000587457981 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)NC(=O)CO3)CC2=O ZINC000587458287 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)NC(=O)CO3)CC2=O ZINC000587458289 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CNC(=O)CCCl)(c1ccccc1)CC2=O ZINC000587458617 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCCl)(c1ccccc1)CC2=O ZINC000587458619 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Br)cc(C(=O)OC)n1C)CC2=O ZINC000587459029 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cc(C(=O)OC)n1C)CC2=O ZINC000587459034 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)oc3nc(Br)nn13)CC2=O ZINC000587459172 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)oc3nc(Br)nn13)CC2=O ZINC000587459175 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(OCC(N)=O)c(OC)c1)CC2=O ZINC000587459200 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(OCC(N)=O)c(OC)c1)CC2=O ZINC000587459202 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CCC(N)=O)cc1)CC2=O ZINC000587459221 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CCC(N)=O)cc1)CC2=O ZINC000587459224 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CCCN3C(=O)C(CCCl)=C(C)N[C@@H]31)CC2=O ZINC000587459256 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CCCN3C(=O)C(CCCl)=C(C)N[C@H]31)CC2=O ZINC000587459258 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCCN3C(=O)C(CCCl)=C(C)N[C@@H]31)CC2=O ZINC000587459259 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCCN3C(=O)C(CCCl)=C(C)N[C@H]31)CC2=O ZINC000587459260 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2cccc(Br)c21 ZINC000587459293 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2cccc(Br)c21 ZINC000587459295 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)n(C)c(=O)n3C)CC2=O ZINC000587459393 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)n(C)c(=O)n3C)CC2=O ZINC000587459394 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(Cl)cc1)CC2=O ZINC000587460050 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(Cl)cc1)CC2=O ZINC000587460052 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3cnc(Br)cn13)CC2=O ZINC000587460253 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3cnc(Br)cn13)CC2=O ZINC000587460256 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)([C@H]1CCCN1C(=O)C(F)(F)F)CC2=O ZINC000587460382 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@@H]1CCCN1C(=O)C(F)(F)F)CC2=O ZINC000587460400 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@H]1CCCN1C(=O)C(F)(F)F)CC2=O ZINC000587460402 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H]1CCCN1C(=O)C(F)(F)F)CC2=O ZINC000587460404 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(Br)cnc3c1OCCO3)CC2=O ZINC000587460659 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)oc(=O)n3C)CC2=O ZINC000587460661 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cnc3c1OCCO3)CC2=O ZINC000587460662 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)oc(=O)n3C)CC2=O ZINC000587460663 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3nc[nH]n3)c1C)CC2=O ZINC000587462278 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3nc[nH]n3)c1C)CC2=O ZINC000587462279 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccccc1Cl)CC2=O ZINC000587462916 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccccc1Cl)CC2=O ZINC000587462917 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cccc(Cl)c1)CC2=O ZINC000587462954 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cccc(Cl)c1)CC2=O ZINC000587462955 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(N)nc1N1CCCC1)CC2=O ZINC000587463007 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(N)nc1N1CCCC1)CC2=O ZINC000587463008 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(CC(=O)OCC)c1Cl)CC2=O ZINC000587463398 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CC(=O)OCC)c1Cl)CC2=O ZINC000587463399 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1N1CCOCC1)CC2=O ZINC000587463566 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)nc1N1CCOCC1)CC2=O ZINC000587463574 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1nn(CC)cc1Cl)CC2=O ZINC000587463932 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1nn(CC)cc1Cl)CC2=O ZINC000587463934 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(F)cc1)CC2=O ZINC000587465808 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(F)cc1)CC2=O ZINC000587465810 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(OC)c(F)c1)CC2=O ZINC000587465855 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(OC)c(F)c1)CC2=O ZINC000587465856 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1c(F)cccc1F)CC2=O ZINC000587466353 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1c(F)cccc1F)CC2=O ZINC000587466359 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccccc1F)CC2=O ZINC000587466462 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccccc1F)CC2=O ZINC000587466465 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cc(F)ccc1F)CC2=O ZINC000587466642 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cc(F)ccc1F)CC2=O ZINC000587466643 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](N=O)C(=O)Nc1ccccc1OC)CC2=O ZINC000587467642 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](N=O)C(=O)Nc1ccccc1OC)CC2=O ZINC000587467644 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](N=O)C(=O)Nc1ccccc1OC)CC2=O ZINC000587467646 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](N=O)C(=O)Nc1ccccc1OC)CC2=O ZINC000587467648 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(N)ccc(N)c21 ZINC000587468151 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(N)ccc(N)c21 ZINC000587468154 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC(=O)OC(C)(C)C)(CC(=O)OCC)CC2=O ZINC000587468283 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CNC(=O)OC(C)(C)C)(CC(=O)OCC)CC2=O ZINC000587468284 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(CCN3CCOCC3)c1C)CC2=O ZINC000587468627 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(CCN3CCOCC3)c1C)CC2=O ZINC000587468641 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(=O)NCC1CC1)CC2=O ZINC000587469054 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(=O)NCC1CC1)CC2=O ZINC000587469055 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)/C=C\C(=O)O)cc1)CC2=O ZINC000587469060 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)/C=C\C(=O)O)cc1)CC2=O ZINC000587469061 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)/C=C/C(=O)O)cc1)CC2=O ZINC000587469062 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)/C=C/C(=O)O)cc1)CC2=O ZINC000587469063 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cc(F)ccc1OC)CC2=O ZINC000587469384 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cc(F)ccc1OC)CC2=O ZINC000587469386 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(I)cnc1N)CC2=O ZINC000587469580 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(I)cnc1N)CC2=O ZINC000587469583 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCNC(=O)OC(C)(C)C)(CC(=O)OC)CC2=O ZINC000587469975 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCNC(=O)OC(C)(C)C)(CC(=O)OC)CC2=O ZINC000587469977 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC=O)([C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587470383 HH Annotated Mild CCCc1c(O)ccc2c1O[C@@](CCC=O)([C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587470386 HH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)NCC)c(OC)c1)CC2=O ZINC000587470388 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)NCC)c(OC)c1)CC2=O ZINC000587470390 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(C#N)cc1)CC2=O ZINC000587470660 HH Annotated Mild CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(C#N)cc1)CC2=O ZINC000587470661 HH Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCS(=O)(=O)c3cc(F)c(F)cc31)CC2=O ZINC000587470722 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCS(=O)(=O)c3cc(F)c(F)cc31)CC2=O ZINC000587470723 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](/C(I)=C/N(C)C)CC2=O ZINC000587470782 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](/C(I)=C/N(C)C)CC2=O ZINC000587470783 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccc(C(=O)OC)c1)CC2=O ZINC000587470831 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccc(C(=O)OC)c1)CC2=O ZINC000587470833 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCNC(C)=O)c(OC)c1)CC2=O ZINC000587471299 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCNC(C)=O)c(OC)c1)CC2=O ZINC000587471301 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCC=O)(CNC(=O)OC(C)(C)C)CC2=O ZINC000587471657 HH Annotated Mild CCCc1c(O)ccc2c1O[C@](CCCC=O)(CNC(=O)OC(C)(C)C)CC2=O ZINC000587471658 HH Annotated Mild CCCc1c(O)ccc2c1O[C@@H](CCC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471879 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471880 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471924 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471925 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471926 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587471927 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(C(=O)OC)cc1)CC2=O ZINC000587472132 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(C(=O)OC)cc1)CC2=O ZINC000587472134 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CNC(=O)CCC(=O)OCC)(C(C)(C)C)CC2=O ZINC000587472188 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCC(=O)OCC)(C(C)(C)C)CC2=O ZINC000587472189 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCCC(=O)CNC(=O)OC(C)(C)C)CC2=O ZINC000587472196 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCCC(=O)CNC(=O)OC(C)(C)C)CC2=O ZINC000587472197 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCOCC1)CC2=O ZINC000587472364 HH Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCOCC1)CC2=O ZINC000587472365 HH Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(N)cc2C(=O)c2ccc(N)cc21 ZINC000587472499 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(N)cc2C(=O)c2ccc(N)cc21 ZINC000587472500 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccco2)Cc2nc(N)ncc21 ZINC000587472766 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccco2)Cc2nc(N)ncc21 ZINC000587472767 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccco2)Cc2nc(N)ncc21 ZINC000587472768 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccco2)Cc2nc(N)ncc21 ZINC000587472769 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(N)c(N)c21 ZINC000587472790 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(N)c(N)c21 ZINC000587472834 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(N)c2C(=O)c2cccc(N)c21 ZINC000587472971 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(N)c2C(=O)c2cccc(N)c21 ZINC000587472972 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc([N+](=O)[O-])c1)(c1nccn1C)CC2=O ZINC000587473098 HH Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1cccc([N+](=O)[O-])c1)(c1nccn1C)CC2=O ZINC000587473100 HH Annotated Bother CCCc1c(O)ccc2c1O[C@@](C=[N+]=[N-])([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587473319 HH Annotated Clean CCCc1c(O)ccc2c1O[C@](C=[N+]=[N-])([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587473320 HH Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(N)c2N ZINC000587473349 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1ccc(N)c2N ZINC000587473350 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2=O ZINC000587473405 HH Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2=O ZINC000587473406 HH Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CC2=O ZINC000587473582 HH Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CC2=O ZINC000587473583 HH Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(CN3CCOCC3)c1)CC2=O ZINC000587473650 HH Annotated Clean CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(CN3CCOCC3)c1)CC2=O ZINC000587473652 HH Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2=O ZINC000587473942 HH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2=O ZINC000587473943 HH Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2=O ZINC000587473944 HH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2=O ZINC000587473945 HH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C[C@@H]1C(=O)OC)CC2=O ZINC000587473974 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C[C@H]1C(=O)OC)CC2=O ZINC000587473975 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C[C@H]1C(=O)OC)CC2=O ZINC000587473976 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C[C@@H]1C(=O)OC)CC2=O ZINC000587473978 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(N3CCOCC3)cc1)CC2=O ZINC000587474009 HH Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(N3CCOCC3)cc1)CC2=O ZINC000587474011 HH Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3C[C@@H](C(=O)O)CC3=O)c1)CC2=O ZINC000587474051 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3C[C@H](C(=O)O)CC3=O)c1)CC2=O ZINC000587474052 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3C[C@@H](C(=O)O)CC3=O)c1)CC2=O ZINC000587474053 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3C[C@H](C(=O)O)CC3=O)c1)CC2=O ZINC000587474054 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3cc(C(=O)OCC)cn3)nc1)CC2=O ZINC000587474090 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3cc(C(=O)OCC)cn3)nc1)CC2=O ZINC000587474091 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCn1cncn1)(c1ccc(OC)cc1)CC2=O ZINC000587474247 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCn1cncn1)(c1ccc(OC)cc1)CC2=O ZINC000587474248 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2=O ZINC000587474275 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccc(OC)cc3)C(=O)C1)CC2=O ZINC000587474282 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(C)(C)N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587474334 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(C)(C)N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587474336 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCN1CCOCC1)CC2=O ZINC000587474551 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCN1CCOCC1)CC2=O ZINC000587474552 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(C1CN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474574 HH Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(C1CN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587474575 HH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C1(C)C ZINC000587474644 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C1(C)C ZINC000587474645 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C/C1=C\N(C)C ZINC000587474897 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C/C1=C/N(C)C ZINC000587474898 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C/C1=C/N(C)C ZINC000587474899 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C/C1=C\N(C)C ZINC000587474902 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2COC[C@H]1CN(Cc1ccccc1)C2 ZINC000587475091 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2COC[C@H]1CN(Cc1ccccc1)C2 ZINC000587475092 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C[C@H]1C(=O)O)CC2=O ZINC000587475101 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C[C@@H]1C(=O)O)CC2=O ZINC000587475104 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C[C@@H]1C(=O)O)CC2=O ZINC000587475106 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C[C@H]1C(=O)O)CC2=O ZINC000587475108 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OCc2ccccc2)C[C@@H]1C#N ZINC000587475118 HH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OCc2ccccc2)C[C@H]1C#N ZINC000587475122 HH Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OCc2ccccc2)C[C@H]1C#N ZINC000587475124 HH Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OCc2ccccc2)C[C@@H]1C#N ZINC000587475127 HH Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1cc(N3CCC(O)CC3)ccc1N)CC2=O ZINC000587475128 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(N3CCC(O)CC3)ccc1N)CC2=O ZINC000587475130 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1nc3ccccc3n1C)CC2=O ZINC000587475266 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1nc3ccccc3n1C)CC2=O ZINC000587475267 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1cnn(-c3ccccc3)c1)(C(=O)O)CC2=O ZINC000587475268 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1cnn(-c3ccccc3)c1)(C(=O)O)CC2=O ZINC000587475269 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)([C@@H]1CCN1C(=O)OC(C)(C)C)CC2=O ZINC000587475360 HH Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)([C@H]1CCN1C(=O)OC(C)(C)C)CC2=O ZINC000587475361 HH Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)([C@@H]1CCN1C(=O)OC(C)(C)C)CC2=O ZINC000587475362 HH Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)([C@H]1CCN1C(=O)OC(C)(C)C)CC2=O ZINC000587475363 HH Annotated Mild CCCc1c(O)ccc2c1OC1(CC2=O)C2CN(C(C)C)CC1CN(C(C)C)C2 ZINC000587475420 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cccc(OC)c1OC)CC2=O ZINC000587475586 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cccc(OC)c1OC)CC2=O ZINC000587475589 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(OC)cc1CC(=O)O)CC2=O ZINC000587475595 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(OC)cc1CC(=O)O)CC2=O ZINC000587475597 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(N3CCCCC3)cc1)(C(O)O)CC2=O ZINC000587476011 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(N3CCCCC3)cc1)(C(O)O)CC2=O ZINC000587476014 HH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN([C@H](C(=O)O)c3ccccc3)CC1)CC2=O ZINC000587476029 HH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN([C@@H](C(=O)O)c3ccccc3)CC1)CC2=O ZINC000587476030 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC(=O)N(C[C@@H]3CCCCO3)CC1)CC2=O ZINC000587476041 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC(=O)N(C[C@H]3CCCCO3)CC1)CC2=O ZINC000587476044 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC(=O)N(C[C@@H]3CCCCO3)CC1)CC2=O ZINC000587476046 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC(=O)N(C[C@H]3CCCCO3)CC1)CC2=O ZINC000587476048 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(C)C)nn(C)c1N1CCOCC1)CC2=O ZINC000587476103 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)C)nn(C)c1N1CCOCC1)CC2=O ZINC000587476106 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC)c1OCC(=O)O)CC2=O ZINC000587476304 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC)c1OCC(=O)O)CC2=O ZINC000587476305 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]1OC1CN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587476393 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H]1OC1CN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587476405 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]1OC1CN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587476407 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]1OC1CN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587476411 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C1CCCC1)(C1C(=O)OC(C)(C)OC1=O)CC2=O ZINC000587476429 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C1CCCC1)(C1C(=O)OC(C)(C)OC1=O)CC2=O ZINC000587476442 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(COC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587476452 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(COC13CCN(C(=O)OC(C)(C)C)CC3)CC2=O ZINC000587476456 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000587476548 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000587476550 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000587476553 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000587476557 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N1CCN(C(C)=O)CC1)CC2=O ZINC000587476578 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1N1CCN(C(C)=O)CC1)CC2=O ZINC000587476579 HH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C(=O)OCC)(C(=O)OCC)CC1)CC2=O ZINC000587476748 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(CC(=O)OC(C)C)c1C)CC2=O ZINC000587476880 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CC(=O)OC(C)C)c1C)CC2=O ZINC000587476885 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587476980 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587476983 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(N3CCN(C)CC3)cc1)CC2=O ZINC000587477246 HH Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(N3CCN(C)CC3)cc1)CC2=O ZINC000587477261 HH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587477292 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587477295 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587477297 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587477298 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(Cc2ccccc2)C[C@@H]1C(=O)OCC ZINC000587477436 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(Cc2ccccc2)C[C@H]1C(=O)OCC ZINC000587477438 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(Cc2ccccc2)C[C@H]1C(=O)OCC ZINC000587477440 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(Cc2ccccc2)C[C@@H]1C(=O)OCC ZINC000587477441 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)N1C(=O)CCC1=O)CC2=O ZINC000587477505 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)N1C(=O)CCC1=O)CC2=O ZINC000587477508 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)N1C(=O)CCC1=O)CC2=O ZINC000587477510 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)N1C(=O)CCC1=O)CC2=O ZINC000587477512 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)O)nc1-c1ccccc1)CC2=O ZINC000587478962 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)O)nc1-c1ccccc1)CC2=O ZINC000587478965 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cn(Cc3ccc(OC)cc3)nn1)CC2=O ZINC000587479528 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cn(Cc3ccc(OC)cc3)nn1)CC2=O ZINC000587479530 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1)CC2=O ZINC000587479723 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1)CC2=O ZINC000587479729 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1)CC2=O ZINC000587479733 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1)CC2=O ZINC000587479739 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn3c(=O)c4ccccc4[nH]c13)CC2=O ZINC000587479949 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn3c(=O)c4ccccc4[nH]c13)CC2=O ZINC000587479963 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(C)(=O)=O)c(OC)c1)CC2=O ZINC000587481189 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(C)(=O)=O)c(OC)c1)CC2=O ZINC000587481199 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](CCC(=O)OCC)C(=O)OCC)CC2=O ZINC000587481360 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CCC(=O)OCC)C(=O)OCC)CC2=O ZINC000587481361 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](CCC(=O)OCC)C(=O)OCC)CC2=O ZINC000587481363 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](CCC(=O)OCC)C(=O)OCC)CC2=O ZINC000587481365 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C[C@H](CC(=O)OCC)C(=O)OCC)CC2=O ZINC000587481531 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](CC(=O)OCC)C(=O)OCC)CC2=O ZINC000587481532 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H](CC(=O)OCC)C(=O)OCC)CC2=O ZINC000587481534 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](CC(=O)OCC)C(=O)OCC)CC2=O ZINC000587481535 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C)C(=O)O)c(OC)c1)CC2=O ZINC000587481853 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C)C(=O)O)c(OC)c1)CC2=O ZINC000587481855 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C)C(=O)O)c(OC)c1)CC2=O ZINC000587481857 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C)C(=O)O)c(OC)c1)CC2=O ZINC000587481858 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc3nc(O)[nH]c3c1)CC2=O ZINC000587481860 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc3nc(O)[nH]c3c1)CC2=O ZINC000587481864 HH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1 ZINC000587481875 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587482217 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587482218 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(C(=O)OC)cc1)CC2=O ZINC000587482651 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(C(=O)OC)cc1)CC2=O ZINC000587482655 HH Annotated Anodyne C=CCNS(=O)(=O)c1cccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)c1 ZINC000587482700 HH Annotated Mild C=CCNS(=O)(=O)c1cccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)c1 ZINC000587482701 HH Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C2=C(NC(=O)C2(C)C)c2ccccc21 ZINC000587482818 HH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C2=C(NC(=O)C2(C)C)c2ccccc21 ZINC000587482823 HH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(OC)cc(OC)cc1C(=O)OC)CC2=O ZINC000587483160 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cc(OC)cc1C(=O)OC)CC2=O ZINC000587483161 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(C)cc1C)CC2=O ZINC000587483461 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(C)cc1C)CC2=O ZINC000587483466 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)c(S(N)(=O)=O)c1)CC2=O ZINC000587484005 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)c(S(N)(=O)=O)c1)CC2=O ZINC000587484006 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc3cc(OC)ccc13)(C(O)O)CC2=O ZINC000587484177 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc3cc(OC)ccc13)(C(O)O)CC2=O ZINC000587484184 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c(O)[nH]c3ccccc13)CC2=O ZINC000587484378 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c(O)[nH]c3ccccc13)CC2=O ZINC000587484380 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1c[nH]c3ccccc13)CC2=O ZINC000587484415 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1c[nH]c3ccccc13)CC2=O ZINC000587484416 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCC(=O)OCC)(CC(=O)OCC)CC2=O ZINC000587484629 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCC(=O)OCC)(CC(=O)OCC)CC2=O ZINC000587484631 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccc(Cl)cc1)CC2=O ZINC000587484795 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccc(Cl)cc1)CC2=O ZINC000587484798 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1c[nH]c3ccccc13)CC2=O ZINC000587484884 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1c[nH]c3ccccc13)CC2=O ZINC000587484890 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)N1CCC[C@H]1C(=O)O)(C(C)(C)CC)CC2=O ZINC000587485020 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)N1CCC[C@H]1C(=O)O)(C(C)(C)CC)CC2=O ZINC000587485023 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(OC)cc1OC)CC2=O ZINC000587485045 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(OC)cc1OC)CC2=O ZINC000587485046 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(=O)O)c(OC)c1)CC2=O ZINC000587485485 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)O)c(OC)c1)CC2=O ZINC000587485487 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(COc1ccccc1OCC(=O)O)CC2=O ZINC000587485503 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(COc1ccccc1OCC(=O)O)CC2=O ZINC000587485514 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)OCC)Oc3cc(O)ccc31)CC2=O ZINC000587485615 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)OCC)Oc3cc(O)ccc31)CC2=O ZINC000587485618 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OCCOC)OCO3)CC2=O ZINC000587485669 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OCCOC)OCO3)CC2=O ZINC000587485671 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc3c(c1)CCC(=O)N3)CC2=O ZINC000587485720 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc3c(c1)CCC(=O)N3)CC2=O ZINC000587485722 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](C#N)CN(C(=O)OC(C)(C)C)C12CC2 ZINC000587485779 HH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C12CC2 ZINC000587485781 HH Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C#N)CN(C(=O)OC(C)(C)C)C12CC2 ZINC000587485783 HH Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C#N)CN(C(=O)OC(C)(C)C)C12CC2 ZINC000587485784 HH Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)OC)c(OC)c1)CC2=O ZINC000587486360 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)OC)c(OC)c1)CC2=O ZINC000587486364 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCOCC3)nc3ccccn13)CC2=O ZINC000587486430 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCOCC3)nc3ccccn13)CC2=O ZINC000587486431 HH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2COC[C@H]1CN(Cc1ccccc1)C2 ZINC000587486817 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000587486843 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000587486844 HH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000587486845 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc3nc(O)n(c23)CC[C@@H]1N=O ZINC000587487068 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc3nc(O)n(c23)CC[C@H]1N=O ZINC000587487074 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc3nc(O)n(c23)CC[C@@H]1N=O ZINC000587487075 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc3nc(O)n(c23)CC[C@H]1N=O ZINC000587487076 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(NS(C)(=O)=O)cc1)CC2=O ZINC000587487109 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(NS(C)(=O)=O)cc1)CC2=O ZINC000587487135 HH Annotated Reactive CCCNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587487224 HH Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587487226 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(=O)c(C(=O)O)c[nH]c3c1)CC2=O ZINC000587487281 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(=O)c(C(=O)O)c[nH]c3c1)CC2=O ZINC000587487285 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCN(CC)CC)c2ccccc21 ZINC000587487685 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCN(CC)CC)c2ccccc21 ZINC000587487688 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(c1conc1C(=O)OCC)CC2=O ZINC000587487893 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccn1)(c1conc1C(=O)OCC)CC2=O ZINC000587487894 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2nc3nonc3nc21 ZINC000587487964 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Cl)c(S(N)(=O)=O)c1)CC2=O ZINC000587488061 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Cl)c(S(N)(=O)=O)c1)CC2=O ZINC000587488063 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2nc(O)c(C(=O)O)cc21 ZINC000587488106 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2nc(O)c(C(=O)O)cc21 ZINC000587488108 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2nc3nonc3nc21 ZINC000587488133 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CS(C)(=O)=O)c1)CC2=O ZINC000587488395 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CS(C)(=O)=O)c1)CC2=O ZINC000587488404 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3c(C(=O)OC)cc(C=O)n13)CC2=O ZINC000587488636 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3c(C(=O)OC)cc(C=O)n13)CC2=O ZINC000587488638 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3[nH]cc(C(=O)O)c(=O)c3c1)CC2=O ZINC000587488727 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3[nH]cc(C(=O)O)c(=O)c3c1)CC2=O ZINC000587488729 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2=O ZINC000587488914 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2=O ZINC000587488915 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC[C@@]1(CS(=O)(=O)O)C2(C)C ZINC000587488980 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@]1(CS(=O)(=O)O)C2(C)C ZINC000587488997 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CC[C@@]1(CS(=O)(=O)O)C2(C)C ZINC000587489000 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@@]1(CS(=O)(=O)O)C2(C)C ZINC000587489001 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@@]1(CS(=O)(=O)O)C2(C)C ZINC000587489003 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@]1(CS(=O)(=O)O)C2(C)C ZINC000587489005 HH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2COC[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587489312 HH Annotated Anodyne C=CCNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587489336 HH Annotated Mild C=CCNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587489337 HH Annotated Mild CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c(C)nc3ccccn13)CC2=O ZINC000587489382 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c(C)nc3ccccn13)CC2=O ZINC000587489383 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@H](O)[C@@H](C1)N2Cc1ccccc1 ZINC000587489591 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@@H](O)[C@@H](C1)N2Cc1ccccc1 ZINC000587489604 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H](O)[C@@H](C1)N2Cc1ccccc1 ZINC000587489610 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@@H](O)[C@@H](C1)N2Cc1ccccc1 ZINC000587489619 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)c3cccc(C=O)n13)CC2=O ZINC000587489890 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)c3cccc(C=O)n13)CC2=O ZINC000587489892 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C ZINC000587490049 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C ZINC000587490053 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C ZINC000587490058 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C(=O)C(=O)O)[C@H]2CC[C@@]1(C)C2(C)C ZINC000587490063 HH Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(S(=O)(=O)c3cccs3)CC1)CC2=O ZINC000587490076 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NS(=O)(=O)CC)cc1)CC2=O ZINC000587490353 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NS(=O)(=O)CC)cc1)CC2=O ZINC000587490356 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O ZINC000587490607 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O ZINC000587490608 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O ZINC000587490609 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)CC2=O ZINC000587490610 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(O)c(C(=O)OCC)cc31)CC2=O ZINC000587492114 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(O)c(C(=O)OCC)cc31)CC2=O ZINC000587492118 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(N3CCOCC3)nc1OCC)CC2=O ZINC000587492171 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(N3CCOCC3)nc1OCC)CC2=O ZINC000587492172 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587493264 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587493266 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCCl)(c1scnc1C)CC2=O ZINC000587493303 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@](CNC(=O)CCCl)(c1scnc1C)CC2=O ZINC000587493304 HH Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCCS3(=O)=O)cc1)CC2=O ZINC000587493643 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCCS3(=O)=O)cc1)CC2=O ZINC000587493645 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc3c(c1)OCO3)CC2=O ZINC000587494247 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc3c(c1)OCO3)CC2=O ZINC000587494252 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(NCCCOC)nc1C)CC2=O ZINC000587494300 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(NCCCOC)nc1C)CC2=O ZINC000587494306 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(N3CCOCC3)nc1Cl)CC2=O ZINC000587494715 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(N3CCOCC3)nc1Cl)CC2=O ZINC000587494716 HH Annotated Anodyne NC(=O)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494821 HH Annotated Anodyne NC(=O)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494825 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(NCCCC(=O)O)nc1C)CC2=O ZINC000587494873 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc(NCCCC(=O)O)nc1C)CC2=O ZINC000587494878 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3CCCS3(=O)=O)c1)CC2=O ZINC000587495078 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3CCCS3(=O)=O)c1)CC2=O ZINC000587495084 HH Annotated Anodyne O=C1C[C@@](C(=O)O)(c2ccc(Br)cc2O)Oc2c1ccc1c2CCCC1 ZINC000587495253 HH Annotated Anodyne O=C1C[C@](C(=O)O)(c2ccc(Br)cc2O)Oc2c1ccc1c2CCCC1 ZINC000587495255 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1sc(NC)nc1N)CC2=O ZINC000587495740 HH Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1sc(NC)nc1N)CC2=O ZINC000587495741 HH Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCC(N)=O ZINC000587496411 HH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OCC(N)=O ZINC000587496414 HH Annotated Anodyne N#C[C@@H](C(=O)NCc1ccccc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496490 HH Annotated Reactive N#C[C@H](C(=O)NCc1ccccc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496492 HH Annotated Reactive N#C[C@@H](C(=O)NCc1ccccc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496494 HH Annotated Reactive N#C[C@H](C(=O)NCc1ccccc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496496 HH Annotated Reactive O=C1C[C@]2(CCNC(=O)c3[nH]c(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587497210 HH Annotated Anodyne O=C1C[C@@]2(CCNC(=O)c3[nH]c(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587497212 HH Annotated Anodyne O=C1C[C@](CBr)(C(=O)CBr)Oc2c1ccc1c2CCCC1 ZINC000587497449 HH Annotated Reactive O=C1C[C@@](CBr)(C(=O)CBr)Oc2c1ccc1c2CCCC1 ZINC000587497452 HH Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CC(N)=O ZINC000587497895 HH Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1CC(N)=O ZINC000587497902 HH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2N1 ZINC000587498827 HH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2N1 ZINC000587498828 HH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2N1 ZINC000587498829 HH Annotated Reactive CC1=C(CCCl)C(=O)N2CCC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2N1 ZINC000587498830 HH Annotated Reactive Cn1c(=O)n(C)c2cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587498934 HH Annotated Reactive Cn1c(=O)n(C)c2cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587498938 HH Annotated Reactive CC(C)(C)[C@@]1(CNC(=O)CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498976 HH Annotated Reactive CC(C)(C)[C@]1(CNC(=O)CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498977 HH Annotated Reactive CCOC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Br)C1 ZINC000587499051 HH Annotated Reactive CCOC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Br)C1 ZINC000587499054 HH Annotated Reactive CCOC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Br)C1 ZINC000587499057 HH Annotated Reactive CCOC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Br)C1 ZINC000587499061 HH Annotated Reactive CCn1cc(Cl)c([C@@]2(CC(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587502144 HH Annotated Anodyne CCn1cc(Cl)c([C@]2(CC(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587502147 HH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl ZINC000587503143 HH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl ZINC000587503144 HH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504397 HH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504398 HH Annotated Anodyne Cn1ncc(I)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504613 HH Annotated Anodyne Cn1ncc(I)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504626 HH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506894 HH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(F)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506896 HH Annotated Anodyne Nc1ncc(I)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506958 HH Annotated Anodyne Nc1ncc(I)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506961 HH Annotated Anodyne O=C1C[C@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)Oc2c1ccc1c2CCCC1 ZINC000587507542 HH Annotated Anodyne O=C1C[C@@]2(CCS(=O)(=O)c3cc(F)c(F)cc32)Oc2c1ccc1c2CCCC1 ZINC000587507550 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C=[N+]=[N-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507905 HH Annotated Clean CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C=[N+]=[N-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507906 HH Annotated Clean O=C1C[C@](CN2C(=O)CCC2=O)(c2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587508007 HH Annotated Anodyne O=C1C[C@@](CN2C(=O)CCC2=O)(c2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587508010 HH Annotated Anodyne Nc1ncc2c(n1)C[C@H](c1ccco1)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508036 HH Annotated Anodyne Nc1ncc2c(n1)C[C@@H](c1ccco1)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508039 HH Annotated Anodyne C[C@@]1(c2ccc(NS(C)(=O)=O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508351 HH Annotated Anodyne C[C@]1(c2ccc(NS(C)(=O)=O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508361 HH Annotated Anodyne Cn1ncc(I)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508605 HH Annotated Anodyne Cn1ncc(I)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508615 HH Annotated Anodyne Nc1ncc2c(n1)C[C@H](c1ccco1)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508794 HH Annotated Anodyne Nc1ncc2c(n1)C[C@@H](c1ccco1)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508798 HH Annotated Anodyne Cn1cnc(I)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509056 HH Annotated Anodyne Cn1cnc(I)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509059 HH Annotated Anodyne Cn1cc(I)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587509060 HH Annotated Anodyne Cn1cc(I)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587509061 HH Annotated Anodyne O=C1C[C@@H](c2cnc(O)c(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587509101 HH Annotated Anodyne O=C1C[C@H](c2cnc(O)c(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587509102 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509186 HH Annotated Mild CCOC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509190 HH Annotated Mild COC(=O)C[C@@]1(CCNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510363 HH Annotated Anodyne COC(=O)C[C@]1(CCNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510367 HH Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587510474 HH Annotated Anodyne CCNC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587510478 HH Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCNC(C)=O ZINC000587510890 HH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCNC(C)=O ZINC000587510892 HH Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511046 HH Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511048 HH Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1)[N+](=O)[O-] ZINC000587511162 HH Annotated Mild CCOC(=O)[C@H]([C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1)[N+](=O)[O-] ZINC000587511165 HH Annotated Mild CCOC(=O)[C@H]([C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1)[N+](=O)[O-] ZINC000587511167 HH Annotated Mild CCOC(=O)[C@H]([C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1)[N+](=O)[O-] ZINC000587511169 HH Annotated Mild COC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587511298 HH Annotated Bother COC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587511299 HH Annotated Bother COC(=O)C(=NNc1ccccc1OC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511351 HH Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511353 HH Annotated Mild CN1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587511573 HH Annotated Bother CN1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587511576 HH Annotated Bother CC(C)(C)OC(=O)N[C@@H](C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587512771 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587512773 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587512774 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@H](C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587512775 HH Annotated Anodyne CC(=O)N1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 ZINC000587512798 HH Annotated Anodyne CC(=O)N1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 ZINC000587512799 HH Annotated Anodyne C[C@]1(c2ccc(N3CCN(CCO)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512810 HH Annotated Anodyne C[C@@]1(c2ccc(N3CCN(CCO)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512811 HH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513352 HH Annotated Anodyne CCOC(=O)CCC(=O)NC[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513355 HH Annotated Anodyne CC(=O)N1CCN(c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587513361 HH Annotated Anodyne CC(=O)N1CCN(c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587513364 HH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(N)=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513497 HH Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(N)=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513498 HH Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513627 HH Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513630 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)O ZINC000587514487 HH Annotated Anodyne C[C@@H](NC(=O)CCC(=O)O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514977 HH Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514978 HH Annotated Anodyne C[C@H](NC(=O)CCC(=O)O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514979 HH Annotated Anodyne C[C@@H](NC(=O)CCC(=O)O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514980 HH Annotated Anodyne O=C1C[C@@H](c2c(N3CCOCC3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587515237 HH Annotated Anodyne O=C1C[C@H](c2c(N3CCOCC3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587515239 HH Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nc3ccccn23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515253 HH Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nc3ccccn23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515256 HH Annotated Anodyne C[C@]1(c2cc(N3CCC(O)CC3)ccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515565 HH Annotated Anodyne C[C@@]1(c2cc(N3CCC(O)CC3)ccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515566 HH Annotated Anodyne O=C1C[C@@](c2ccc(N3CCCCC3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587516126 HH Annotated Anodyne O=C1C[C@](c2ccc(N3CCCCC3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587516127 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C(=O)O ZINC000587516202 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)O ZINC000587516204 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C(=O)O ZINC000587516205 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2COC[C@@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516209 HH Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516503 HH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516506 HH Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516508 HH Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516510 HH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516738 HH Annotated Anodyne CC(C)c1nn(C)c(N2CCOCC2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516739 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@]2(CC[C@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516888 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(CC[C@@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516890 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(CC[C@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516892 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@]2(CC[C@@H]1C(=O)O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516893 HH Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc(C)n2C)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587516944 HH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587516945 HH Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc(C)n2C)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587516946 HH Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587516947 HH Annotated Anodyne CCOC(=O)[C@@]1(c2nc3ccccc3n2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516992 HH Annotated Anodyne CCOC(=O)[C@]1(c2nc3ccccc3n2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516993 HH Annotated Anodyne O=C1C[C@@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587517057 HH Annotated Anodyne O=C1C[C@](Cc2cnn(-c3ccccc3)c2)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587517058 HH Annotated Anodyne COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517214 HH Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517215 HH Annotated Anodyne COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517216 HH Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517217 HH Annotated Anodyne CN(C)/C=C1/CN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517218 HH Annotated Anodyne CN(C)/C=C1/CN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517219 HH Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517220 HH Annotated Anodyne CN(C)/C=C1\CN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517221 HH Annotated Anodyne C[C@@H](N1C(=O)CCC1=O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517531 HH Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517532 HH Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517533 HH Annotated Anodyne C[C@@H](N1C(=O)CCC1=O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517534 HH Annotated Anodyne C[C@@]1(c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517684 HH Annotated Anodyne C[C@]1(c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517685 HH Annotated Anodyne C[C@@]1(c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517686 HH Annotated Anodyne C[C@]1(c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517687 HH Annotated Anodyne C[C@@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518340 HH Annotated Anodyne C[C@@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518341 HH Annotated Anodyne C[C@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518342 HH Annotated Anodyne C[C@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518343 HH Annotated Anodyne O=C(O)CCCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518499 HH Annotated Anodyne O=C(O)CCCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518500 HH Annotated Anodyne O=C1C[C@@H](c2ccccc2OCCN2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587518506 HH Annotated Anodyne O=C1C[C@H](c2ccccc2OCCN2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587518507 HH Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518597 HH Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518598 HH Annotated Anodyne O=C1C[C@H](c2ccc(OCC(=O)N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587519124 HH Annotated Anodyne O=C1C[C@@H](c2ccc(OCC(=O)N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587519125 HH Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCOCC1 ZINC000587519134 HH Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCOCC1 ZINC000587519135 HH Annotated Anodyne COc1cc(CN2CCOCC2)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587519167 HH Annotated Anodyne COc1cc(CN2CCOCC2)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587519168 HH Annotated Anodyne C[C@]1(c2ccc(O)c(CN3CCOCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519204 HH Annotated Clean C[C@@]1(c2ccc(O)c(CN3CCOCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519205 HH Annotated Clean CC(C)(C)OC(=O)N1C[C@@H]2CC3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H](C1)N2 ZINC000587520533 HH Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OCC(=O)O ZINC000587520578 HH Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OCC(=O)O ZINC000587520579 HH Annotated Anodyne CC(C)OC(=O)C1(C(=O)OC(C)C)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587521035 HH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521123 HH Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521133 HH Annotated Anodyne COc1cc([C@@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC ZINC000587521253 HH Annotated Anodyne COc1cc([C@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC ZINC000587521293 HH Annotated Anodyne C[C@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521493 HH Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc3nc(O)[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521518 HH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521633 HH Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521643 HH Annotated Anodyne CCOC(=O)CCC[C@]1(CC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521672 HH Annotated Anodyne CCOC(=O)CCC[C@@]1(CC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521679 HH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522054 HH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522057 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522537 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522545 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522657 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522658 HH Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522779 HH Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522780 HH Annotated Anodyne C[C@@]1(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522913 HH Annotated Anodyne C[C@]1(c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522915 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(=O)OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523643 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(=O)OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523645 HH Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523659 HH Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524243 HH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524244 HH Annotated Anodyne CCOC(=O)CCC1(CCC(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524398 HH Annotated Anodyne CCOC(=O)C[C@@H](C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC ZINC000587524403 HH Annotated Anodyne CCOC(=O)C[C@H](C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC ZINC000587524404 HH Annotated Anodyne CCOC(=O)C[C@@H](C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC ZINC000587524405 HH Annotated Anodyne CCOC(=O)C[C@H](C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC ZINC000587524406 HH Annotated Anodyne COc1ccc2c([C@@]3(C(O)O)CC(=O)c4ccc5c(c4O3)CCCC5)cccc2c1 ZINC000587524962 HH Annotated Anodyne COc1ccc2c([C@]3(C(O)O)CC(=O)c4ccc5c(c4O3)CCCC5)cccc2c1 ZINC000587524966 HH Annotated Anodyne COC(=O)[C@H]1c2ccc(OC)nc2CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525529 HH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525549 HH Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525550 HH Annotated Anodyne COC(=O)[C@H]1c2ccc(OC)nc2CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525552 HH Annotated Anodyne CC1(C)C(=O)NC2=C1C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc12 ZINC000587525853 HH Annotated Mild CC1(C)C(=O)NC2=C1C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc12 ZINC000587525870 HH Annotated Mild COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526226 HH Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526231 HH Annotated Anodyne C[C@@]1(c2c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526458 HH Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)N3CCC[C@H](CO)C3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526467 HH Annotated Anodyne C[C@@]1(c2c[nH]c(C(=O)N3CCC[C@H](CO)C3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526471 HH Annotated Anodyne C[C@]1(c2c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526473 HH Annotated Anodyne CCOC(=O)CC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527465 HH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527466 HH Annotated Anodyne CCOC(=O)CC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527467 HH Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527468 HH Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N(C)C)nc12 ZINC000587527752 HH Annotated Anodyne Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N(C)C)nc12 ZINC000587527759 HH Annotated Anodyne C[C@@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528365 HH Annotated Anodyne C[C@]1(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528366 HH Annotated Anodyne C[C@]1(c2cccc(N3CCCS3(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529573 HH Annotated Anodyne C[C@@]1(c2cccc(N3CCCS3(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529585 HH Annotated Anodyne CCOC(=O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 ZINC000587529621 HH Annotated Anodyne CCOC(=O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 ZINC000587529630 HH Annotated Anodyne COCCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587530055 HH Annotated Anodyne COCCS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587530063 HH Annotated Anodyne CS(=O)(=O)C[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530620 HH Annotated Anodyne CS(=O)(=O)C[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530627 HH Annotated Anodyne C[C@]1(c2ccc(N3CCCS3(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531009 HH Annotated Anodyne C[C@@]1(c2ccc(N3CCCS3(=O)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531010 HH Annotated Anodyne CS(=O)(=O)[C@H](c1nc2ccccc2[nH]1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531136 HH Annotated Anodyne CS(=O)(=O)[C@H](c1nc2ccccc2[nH]1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531139 HH Annotated Anodyne CS(=O)(=O)[C@@H](c1nc2ccccc2[nH]1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531140 HH Annotated Anodyne CS(=O)(=O)[C@@H](c1nc2ccccc2[nH]1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531141 HH Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1S(C)(=O)=O ZINC000587531167 HH Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1S(C)(=O)=O ZINC000587531170 HH Annotated Anodyne C[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531665 HH Annotated Anodyne C[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531666 HH Annotated Anodyne C[C@@]1(c2ccc(O)c(NS(C)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531789 HH Annotated Anodyne C[C@]1(c2ccc(O)c(NS(C)(=O)=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531790 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587532052 HH Annotated Bother CS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587532054 HH Annotated Bother O=C1C[C@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587532252 HH Annotated Anodyne O=C1C[C@@H](c2ccc(N3CCS(=O)(=O)CC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587532257 HH Annotated Anodyne C=CCNS(=O)(=O)c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587532393 HH Annotated Mild C=CCNS(=O)(=O)c1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587532398 HH Annotated Mild O=C(O)CSc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532407 HH Annotated Anodyne O=C(O)CSc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532412 HH Annotated Anodyne NS(=O)(=O)c1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532502 HH Annotated Anodyne NS(=O)(=O)c1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532503 HH Annotated Anodyne CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532890 HH Annotated Bother CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532892 HH Annotated Bother CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587532912 HH Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587532915 HH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587532916 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587532917 HH Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587532918 HH Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587532921 HH Annotated Anodyne O=C1C[C@@](c2ccc(Br)s2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587533135 HH Annotated Anodyne O=C1C[C@](c2ccc(Br)s2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587533148 HH Annotated Anodyne O=C1CC2(CC3(CN(S(=O)(=O)c4ccccc4)C3)C2)Oc2c1ccc1c2CCCC1 ZINC000587533640 HH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533750 HH Annotated Anodyne COCCS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533751 HH Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CS(C)(=O)=O ZINC000587533764 HH Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CS(C)(=O)=O ZINC000587533765 HH Annotated Anodyne O=C1CC2(CCN(S(=O)(=O)c3cccs3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587533838 HH Annotated Anodyne C=CCNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534178 HH Annotated Mild C=CCNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534179 HH Annotated Mild Cc1ncsc1[C@@]1(CNC(=O)CCCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534464 HH Annotated Reactive Cc1ncsc1[C@]1(CNC(=O)CCCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534476 HH Annotated Reactive CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535206 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535215 HH Annotated Anodyne CC1(C)OC(=O)C([C@@]2(C3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O1 ZINC000587535683 HH Annotated Anodyne CC1(C)OC(=O)C([C@]2(C3CCCC3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O1 ZINC000587535687 HH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCO2 ZINC000587535760 HH Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCO2 ZINC000587535771 HH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536073 HH Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536074 HH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536619 HH Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536620 HH Annotated Anodyne CNc1nc(N)c([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536751 HH Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587536762 HH Annotated Anodyne COC(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537115 HH Annotated Reactive COC(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537116 HH Annotated Reactive COC(C)(C)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537117 HH Annotated Reactive COC(C)(C)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537118 HH Annotated Reactive Nc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587537659 HH Annotated Anodyne Nc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587537660 HH Annotated Anodyne Nc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587537661 HH Annotated Anodyne Nc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587537662 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)[C@@H]1CCOC1 ZINC000587537789 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)[C@@H]1CCOC1 ZINC000587537790 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)[C@H]1CCOC1 ZINC000587537791 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)[C@H]1CCOC1 ZINC000587537792 HH Annotated Reactive C[C@]1(c2ncncc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537918 HH Annotated Anodyne C[C@@]1(c2ncncc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537919 HH Annotated Anodyne C[C@@]1(c2ncncc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537920 HH Annotated Anodyne C[C@]1(c2ncncc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537921 HH Annotated Anodyne Cc1nn(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br ZINC000587537973 HH Annotated Anodyne Cc1nn(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br ZINC000587537980 HH Annotated Anodyne Cc1nn(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br ZINC000587537982 HH Annotated Anodyne Cc1nn(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br ZINC000587537984 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)c(Br)c1 ZINC000587538175 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)c(Br)c1 ZINC000587538176 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)c(Br)c1 ZINC000587538177 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)c(Br)c1 ZINC000587538178 HH Annotated Anodyne Nc1cc(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538359 HH Annotated Anodyne Nc1cc(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538360 HH Annotated Anodyne Nc1cc(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538361 HH Annotated Anodyne Nc1cc(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538362 HH Annotated Anodyne Cn1ncc(Br)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538798 HH Annotated Anodyne Cn1ncc(Br)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538804 HH Annotated Anodyne Cn1ncc(Br)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538805 HH Annotated Anodyne Cn1ncc(Br)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538806 HH Annotated Anodyne C[C@@]1(Cn2cc(Br)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538901 HH Annotated Anodyne C[C@@]1(Cn2cc(Br)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538907 HH Annotated Anodyne C[C@]1(Cn2cc(Br)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538908 HH Annotated Anodyne C[C@]1(Cn2cc(Br)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538909 HH Annotated Anodyne Cn1nc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539615 HH Annotated Anodyne Cn1nc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539616 HH Annotated Anodyne Cn1nc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539617 HH Annotated Anodyne Cn1nc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539618 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCOCC1 ZINC000587539660 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCOCC1 ZINC000587539661 HH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CCOCC1 ZINC000587539662 HH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CCOCC1 ZINC000587539663 HH Annotated Reactive Cn1ncc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540293 HH Annotated Anodyne Cn1ncc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540294 HH Annotated Anodyne Cn1ncc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540295 HH Annotated Anodyne Cn1ncc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540296 HH Annotated Anodyne COc1ccc([C@@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587540827 HH Annotated Anodyne COc1ccc([C@]2(CO)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587540828 HH Annotated Anodyne COc1ccc([C@@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587540829 HH Annotated Anodyne COc1ccc([C@]2(CO)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587540830 HH Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541243 HH Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541244 HH Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541245 HH Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541246 HH Annotated Anodyne O=C(CCl)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541463 HH Annotated Reactive O=C(CCl)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541464 HH Annotated Reactive O=C(CCl)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541465 HH Annotated Reactive O=C(CCl)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541466 HH Annotated Reactive NC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587541685 HH Annotated Reactive NC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587541686 HH Annotated Reactive NC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587541687 HH Annotated Reactive NC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587541688 HH Annotated Reactive Cc1[nH]nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br ZINC000587542080 HH Annotated Anodyne Cc1[nH]nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br ZINC000587542084 HH Annotated Anodyne Cc1[nH]nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br ZINC000587542085 HH Annotated Anodyne Cc1[nH]nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br ZINC000587542087 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)CCC[C@H]2Br ZINC000587543277 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)CCC[C@@H]2Br ZINC000587543282 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)CCC[C@H]2Br ZINC000587543284 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)CCC[C@@H]2Br ZINC000587543286 HH Annotated Reactive Nc1ncc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543782 HH Annotated Anodyne Nc1ncc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543783 HH Annotated Anodyne Nc1ncc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543784 HH Annotated Anodyne Nc1ncc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543785 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H](Br)C2=O ZINC000587544286 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H](Br)C2=O ZINC000587544289 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H](Br)C2=O ZINC000587544292 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H](Br)C2=O ZINC000587544295 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2c(cc1Cl)OCCO2 ZINC000587545012 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2c(cc1Cl)OCCO2 ZINC000587545013 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2c(cc1Cl)OCCO2 ZINC000587545014 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2c(cc1Cl)OCCO2 ZINC000587545015 HH Annotated Anodyne COC(=O)c1coc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587545159 HH Annotated Reactive COC(=O)c1coc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587545163 HH Annotated Reactive COC(=O)c1coc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587545165 HH Annotated Reactive COC(=O)c1coc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587545166 HH Annotated Reactive Cn1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587545999 HH Annotated Anodyne Cn1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587546000 HH Annotated Anodyne Cn1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587546001 HH Annotated Anodyne Cn1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587546002 HH Annotated Anodyne O=C(O)c1coc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587546247 HH Annotated Reactive O=C(O)c1coc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587546250 HH Annotated Reactive O=C(O)c1coc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587546251 HH Annotated Reactive O=C(O)c1coc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587546252 HH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc([N+](=O)[O-])c[nH]1 ZINC000587546327 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cc([N+](=O)[O-])c[nH]1 ZINC000587546332 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc([N+](=O)[O-])c[nH]1 ZINC000587546335 HH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cc([N+](=O)[O-])c[nH]1 ZINC000587546337 HH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)Cn1nnc2ccccc21 ZINC000587546806 HH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cn1nnc2ccccc21 ZINC000587546807 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)Cn1nnc2ccccc21 ZINC000587546808 HH Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)Cn1nnc2ccccc21 ZINC000587546809 HH Annotated Reactive Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Br ZINC000587547618 HH Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Br ZINC000587547619 HH Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Br ZINC000587547620 HH Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Br ZINC000587547621 HH Annotated Anodyne Cn1cnc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547746 HH Annotated Anodyne Cn1cnc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547747 HH Annotated Anodyne Cn1cnc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547748 HH Annotated Anodyne Cn1cnc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547749 HH Annotated Anodyne C[C@]1(c2ncc(Br)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549408 HH Annotated Anodyne C[C@@]1(c2ncc(Br)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549409 HH Annotated Anodyne C[C@@]1(c2ncc(Br)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549411 HH Annotated Anodyne C[C@]1(c2ncc(Br)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549413 HH Annotated Anodyne Nc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccnc1Br ZINC000587549459 HH Annotated Anodyne Nc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccnc1Br ZINC000587549462 HH Annotated Anodyne Nc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccnc1Br ZINC000587549464 HH Annotated Anodyne Nc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccnc1Br ZINC000587549465 HH Annotated Anodyne Cn1c(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549891 HH Annotated Anodyne Cn1c(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549893 HH Annotated Anodyne Cn1c(Br)cnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549894 HH Annotated Anodyne Cn1c(Br)cnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549895 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cnc2c1OCCO2 ZINC000587550379 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cnc2c1OCCO2 ZINC000587550381 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cnc2c1OCCO2 ZINC000587550384 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cnc2c1OCCO2 ZINC000587550386 HH Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Cl ZINC000587550846 HH Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Cl ZINC000587550847 HH Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1Cl ZINC000587550848 HH Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1Cl ZINC000587550849 HH Annotated Anodyne CCOC(=O)[C@@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550908 HH Annotated Anodyne CCOC(=O)[C@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550923 HH Annotated Anodyne CCOC(=O)[C@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550925 HH Annotated Anodyne CCOC(=O)[C@@]1(CCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550927 HH Annotated Anodyne C[C@]1(c2cnc3ccc(Cl)nn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551329 HH Annotated Anodyne C[C@@]1(c2cnc3ccc(Cl)nn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551330 HH Annotated Anodyne C[C@@]1(c2cnc3ccc(Cl)nn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551331 HH Annotated Anodyne C[C@]1(c2cnc3ccc(Cl)nn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551333 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc(Cl)nn1)CC2 ZINC000587551729 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc(Cl)nn1)CC2 ZINC000587551730 HH Annotated Anodyne C[C@@]1(Cn2nc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551787 HH Annotated Anodyne C[C@]1(Cn2nc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551788 HH Annotated Anodyne C[C@]1(Cn2nc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551789 HH Annotated Anodyne C[C@@]1(Cn2nc(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551790 HH Annotated Anodyne Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 ZINC000587552145 HH Annotated Anodyne Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 ZINC000587552146 HH Annotated Anodyne Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 ZINC000587552147 HH Annotated Anodyne Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 ZINC000587552148 HH Annotated Anodyne Cc1c(-c2ccc3c(O)nc(O)nc3n2)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] ZINC000587552651 HH Annotated Bother CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587552664 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587552665 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587552666 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587552667 HH Annotated Anodyne CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587552809 HH Annotated Anodyne CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587552812 HH Annotated Anodyne CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587552813 HH Annotated Anodyne CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(Cl)c21 ZINC000587552815 HH Annotated Anodyne Cc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N(C)C)n1 ZINC000587552850 HH Annotated Anodyne Cc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N(C)C)n1 ZINC000587552860 HH Annotated Anodyne Cc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N(C)C)n1 ZINC000587552862 HH Annotated Anodyne Cc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N(C)C)n1 ZINC000587552864 HH Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587554126 HH Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587554127 HH Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587554128 HH Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587554130 HH Annotated Anodyne CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587554421 HH Annotated Anodyne CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587554424 HH Annotated Anodyne CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587554425 HH Annotated Anodyne CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)ccc21 ZINC000587554426 HH Annotated Anodyne Oc1ccc2c(-c3ccc4c(O)nc(O)nc4n3)ccc(OCc3ccccc3)c2n1 ZINC000587554750 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC(F)([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587554939 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC(F)([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587554947 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC(F)([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587554950 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC(F)([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587554951 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555784 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555789 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555790 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555791 HH Annotated Anodyne COC(=O)C[C@]1(C2CC(F)(F)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559206 HH Annotated Anodyne COC(=O)C[C@]1(C2CC(F)(F)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559217 HH Annotated Anodyne COC(=O)C[C@@]1(C2CC(F)(F)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559219 HH Annotated Anodyne COC(=O)C[C@@]1(C2CC(F)(F)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559221 HH Annotated Anodyne COc1c(C)c(O)c(C)c(O)c1-c1nc2nc(O)nc(O)c2cc1Cc1ccccc1 ZINC000587559264 HH Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559453 HH Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559454 HH Annotated Anodyne COC(=O)[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559455 HH Annotated Anodyne COC(=O)[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559456 HH Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)c1 ZINC000587559468 HH Annotated Anodyne CS(=O)(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587559632 HH Annotated Anodyne CS(=O)(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587559633 HH Annotated Anodyne CS(=O)(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F ZINC000587559634 HH Annotated Anodyne CS(=O)(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F ZINC000587559635 HH Annotated Anodyne O=C(CCc1ccccc1-c1ccc2c(O)nc(O)nc2n1)OCc1ccccc1 ZINC000587560188 HH Annotated Anodyne COc1ccc(COc2cccc(OC)c2-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587560202 HH Annotated Anodyne Oc1ccc(CCCc2cc3c(O)nc(O)nc3nc2CCc2ccc(O)cc2)cc1 ZINC000587560318 HH Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 ZINC000587560893 HH Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5CC4=C3C=C[C@@]21C ZINC000587561268 HH Annotated Anodyne Oc1nc(O)c2cc(Cc3ccccc3)c(C[C@@H](O)CCc3ccccc3)nc2n1 ZINC000587561322 HH Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@]3(C)c4nc5nc(O)nc(O)c5cc4C[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 ZINC000587562380 HH Annotated Mild Cc1c(OCc2ccc3c(O)nc(O)nc3n2)ccc2c1oc(=O)c1ccccc12 ZINC000587562605 HH Annotated Bother Cc1c(O[C@H](C)c2ccc3c(O)nc(O)nc3n2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587562610 HH Annotated Anodyne Cc1c(O[C@@H](C)c2ccc3c(O)nc(O)nc3n2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587562611 HH Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(Br)c(Br)s3)nc2n1 ZINC000587562811 HH Annotated Anodyne Oc1nc(O)c2ccc(-c3scc(Br)c3Br)nc2n1 ZINC000587563373 HH Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)c3ccc4c(O)nc(O)nc4n3)c12 ZINC000587563765 HH Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)c3ccc4c(O)nc(O)nc4n3)c12 ZINC000587563776 HH Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587563798 HH Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1sc(Cl)c(Cl)c1Cl ZINC000587564122 HH Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c(-c3ccc4c(O)nc(O)nc4n3)s2)c1 ZINC000587564313 HH Annotated Anodyne Cc1cc(C)c2c(NC(=O)CCl)c(-c3ccc4c(O)nc(O)nc4n3)sc2n1 ZINC000587564661 HH Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc(COc3ccc(C)cc3OC)[nH]c2c1 ZINC000587564931 HH Annotated Anodyne C#CCOc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587564936 HH Annotated Mild Clc1ncc(I)c2nc(CCOCc3ccccc3)[nH]c12 ZINC000587565444 HH Annotated Anodyne CC1=C(c2ccc3nc(COc4cccc(OCC(C)C)c4)[nH]c3c2)NNC(=O)C1 ZINC000587566087 HH Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000587566422 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCOc3ccc(C=O)cc3)nc2c1 ZINC000587566425 HH Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C)cc(Br)c2[nH]1 ZINC000587566509 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCOc3ccc(C=O)cc3)nc2c1 ZINC000587566573 HH Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587566693 HH Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000587566773 HH Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587566863 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566971 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566972 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566973 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566974 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Cl)ccc(F)c12 ZINC000587567514 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Cl)ccc(F)c12 ZINC000587567522 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Cl)ccc(F)c12 ZINC000587567523 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Cl)ccc(F)c12 ZINC000587567524 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587567606 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587567607 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587567608 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587567609 HH Annotated Anodyne CS(=O)(=O)c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567731 HH Annotated Anodyne CS(=O)(=O)c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567732 HH Annotated Anodyne CS(=O)(=O)c1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567733 HH Annotated Anodyne CS(=O)(=O)c1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567734 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1nc[nH]n1 ZINC000587567747 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1nc[nH]n1 ZINC000587567749 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1nc[nH]n1 ZINC000587567750 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1nc[nH]n1 ZINC000587567751 HH Annotated Anodyne C[C@@]1(CC(=O)NCc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567773 HH Annotated Anodyne C[C@@]1(CC(=O)NCc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567774 HH Annotated Anodyne C[C@]1(CC(=O)NCc2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567776 HH Annotated Anodyne C[C@]1(CC(=O)NCc2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567777 HH Annotated Anodyne CN(C)CC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567878 HH Annotated Anodyne CN(C)CC[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567884 HH Annotated Anodyne CN(C)CC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567886 HH Annotated Anodyne CN(C)CC[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567888 HH Annotated Anodyne C[C@@]1(CC(=O)NCCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567966 HH Annotated Anodyne C[C@]1(CC(=O)NCCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567976 HH Annotated Anodyne C[C@@]1(CC(=O)NCCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567978 HH Annotated Anodyne C[C@]1(CC(=O)NCCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567980 HH Annotated Anodyne COC(=O)N(C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587568387 HH Annotated Anodyne COC(=O)N(C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587568388 HH Annotated Anodyne COC(=O)N(C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587568389 HH Annotated Anodyne COC(=O)N(C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587568390 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)cc(Cl)c12 ZINC000587568511 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)cc(Cl)c12 ZINC000587568512 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)cc(Cl)c12 ZINC000587568513 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)cc(Cl)c12 ZINC000587568514 HH Annotated Anodyne CN(C)C(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587568662 HH Annotated Anodyne CN(C)C(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587568663 HH Annotated Anodyne CN(C)C(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587568665 HH Annotated Anodyne CN(C)C(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587568667 HH Annotated Anodyne CN[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568822 HH Annotated Anodyne CN[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568823 HH Annotated Anodyne CN[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569068 HH Annotated Anodyne CN[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569069 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569510 HH Annotated Mild CCOC(=O)[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569521 HH Annotated Mild CCOC(=O)[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569523 HH Annotated Mild CCOC(=O)[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569526 HH Annotated Mild CN(C)/C=C1/C(=O)CC(C)(C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587569575 HH Annotated Mild CN(C)/C=C1\C(=O)CC(C)(C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587569585 HH Annotated Mild CN(C)/C=C1\C(=O)CC(C)(C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587569587 HH Annotated Mild CN(C)/C=C1/C(=O)CC(C)(C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587569589 HH Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)c(Cl)cc12 ZINC000587569697 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)c(Cl)cc12 ZINC000587569699 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)c(Cl)cc12 ZINC000587569701 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)c(Cl)cc12 ZINC000587569702 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570080 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570082 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570085 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570087 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570092 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570094 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570096 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570098 HH Annotated Anodyne COC(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570413 HH Annotated Anodyne COC(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570414 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570416 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570418 HH Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc2O1 ZINC000587570629 HH Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc2O1 ZINC000587570630 HH Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc2O1 ZINC000587570631 HH Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc2O1 ZINC000587570632 HH Annotated Anodyne CCOC(=O)[C@H](C#N)[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570633 HH Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570634 HH Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570635 HH Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570636 HH Annotated Mild O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc2O1 ZINC000587570637 HH Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc2O1 ZINC000587570638 HH Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc2O1 ZINC000587570639 HH Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc2O1 ZINC000587570640 HH Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587570721 HH Annotated Bother CC(=O)NCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570975 HH Annotated Anodyne CC(=O)NCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570976 HH Annotated Anodyne CC(=O)NCCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570977 HH Annotated Anodyne CC(=O)NCCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570978 HH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570985 HH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570987 HH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570988 HH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570989 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)cc(Cl)cc12 ZINC000587571114 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)cc(Cl)cc12 ZINC000587571118 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)cc(Cl)cc12 ZINC000587571121 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)cc(Cl)cc12 ZINC000587571123 HH Annotated Anodyne COC(=O)c1ccc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587571209 HH Annotated Mild COC(=O)c1ccc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587571217 HH Annotated Mild COC(=O)c1ccc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587571218 HH Annotated Mild COC(=O)c1ccc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587571225 HH Annotated Mild CC(C)(C)OC(=O)N1C[C@H](F)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587571242 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](F)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587571243 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](F)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587571244 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](F)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587571245 HH Annotated Anodyne CC(=O)OC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571351 HH Annotated Anodyne CC(=O)OC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571352 HH Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571353 HH Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571354 HH Annotated Anodyne COCCN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587571451 HH Annotated Anodyne COCCN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587571452 HH Annotated Anodyne COCCN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587571453 HH Annotated Anodyne COCCN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587571454 HH Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571666 HH Annotated Unstable C[C@@]1(c2ccc(S(=O)(=O)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571667 HH Annotated Unstable C[C@@]1(c2ccc(S(=O)(=O)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571668 HH Annotated Unstable C[C@]1(c2ccc(S(=O)(=O)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571669 HH Annotated Unstable O=C(O)C1=COc2ccc(F)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587572198 HH Annotated Anodyne O=C(O)C1=COc2ccc(F)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587572201 HH Annotated Anodyne O=C(O)C1=COc2ccc(F)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587572203 HH Annotated Anodyne O=C(O)C1=COc2ccc(F)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587572205 HH Annotated Anodyne CN(C)/C=C/c1nc(O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572224 HH Annotated Anodyne CN(C)/C=C/c1nc(O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572225 HH Annotated Anodyne CN(C)/C=C/c1nc(O)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572226 HH Annotated Anodyne CN(C)/C=C/c1nc(O)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572227 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1cccc(F)n1)CC2 ZINC000587572261 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1cccc(F)n1)CC2 ZINC000587572262 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c2ccc(Cl)c1F ZINC000587572458 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c2ccc(Cl)c1F ZINC000587572459 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c2ccc(Cl)c1F ZINC000587572460 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c2ccc(Cl)c1F ZINC000587572461 HH Annotated Anodyne Cc1nn(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] ZINC000587572879 HH Annotated Bother Cc1nn(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] ZINC000587572882 HH Annotated Bother Cc1nn(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] ZINC000587572883 HH Annotated Bother Cc1nn(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-] ZINC000587572885 HH Annotated Bother N#CC[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572910 HH Annotated Mild N#CC[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572915 HH Annotated Mild N#CC[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572918 HH Annotated Mild N#CC[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572920 HH Annotated Mild CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc21 ZINC000587572921 HH Annotated Anodyne CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc21 ZINC000587572924 HH Annotated Anodyne CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(F)ccc21 ZINC000587572927 HH Annotated Anodyne CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(F)ccc21 ZINC000587572929 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000587573070 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000587573086 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000587573087 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000587573088 HH Annotated Bother C/C(=C\[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C ZINC000587573236 HH Annotated Anodyne C/C(=C\[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C ZINC000587573266 HH Annotated Anodyne C/C(=C\[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N(C)C ZINC000587573267 HH Annotated Anodyne C/C(=C\[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N(C)C ZINC000587573269 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1 ZINC000587573341 HH Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1 ZINC000587573344 HH Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1 ZINC000587573346 HH Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1 ZINC000587573348 HH Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587573366 HH Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587573368 HH Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587573369 HH Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587573371 HH Annotated Bother COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587573489 HH Annotated Bother COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587573490 HH Annotated Bother N#CC[C@]1(c2cccc3c2OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573556 HH Annotated Mild N#CC[C@]1(c2cccc3c2OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573557 HH Annotated Mild N#CC[C@@]1(c2cccc3c2OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573559 HH Annotated Mild N#CC[C@@]1(c2cccc3c2OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573561 HH Annotated Mild COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N(C)C ZINC000587573627 HH Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N(C)C ZINC000587573628 HH Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N(C)C ZINC000587573629 HH Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N(C)C ZINC000587573630 HH Annotated Anodyne COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587573720 HH Annotated Bother COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587573721 HH Annotated Bother Nc1ncc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587573774 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(F)cc2)n1 ZINC000587573778 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(F)cc2)n1 ZINC000587573779 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccc(F)cc2)n1 ZINC000587573780 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccc(F)cc2)n1 ZINC000587573781 HH Annotated Anodyne Nc1ncc(-c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587573785 HH Annotated Anodyne Nc1ncc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587573786 HH Annotated Anodyne Nc1ncc(-c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587573787 HH Annotated Anodyne O=C(O)c1cc([N+](=O)[O-])ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573953 HH Annotated Bother O=C(O)c1cc([N+](=O)[O-])ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573956 HH Annotated Bother O=C(O)c1cc([N+](=O)[O-])ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573958 HH Annotated Bother O=C(O)c1cc([N+](=O)[O-])ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573960 HH Annotated Bother COc1ccc2c(c1)nc([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)n2C ZINC000587574070 HH Annotated Anodyne COc1ccc2c(c1)nc([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)n2C ZINC000587574075 HH Annotated Anodyne COc1ccc2c(c1)nc([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)n2C ZINC000587574076 HH Annotated Anodyne COc1ccc2c(c1)nc([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)n2C ZINC000587574077 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574246 HH Annotated Mild COC(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574247 HH Annotated Mild COC(=O)C[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574248 HH Annotated Mild COC(=O)C[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574249 HH Annotated Mild CCNC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574267 HH Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574269 HH Annotated Anodyne CCNC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574271 HH Annotated Anodyne CCNC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574273 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000587574290 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000587574303 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000587574304 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000587574305 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cnn[nH]1 ZINC000587574393 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cnn[nH]1 ZINC000587574394 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1cnn[nH]1 ZINC000587574395 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1cnn[nH]1 ZINC000587574396 HH Annotated Anodyne NC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574445 HH Annotated Anodyne NC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574446 HH Annotated Anodyne NC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574447 HH Annotated Anodyne NC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574448 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccc([N+](=O)[O-])cc12 ZINC000587574649 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1ccc([N+](=O)[O-])cc12 ZINC000587574650 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccc([N+](=O)[O-])cc12 ZINC000587574651 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1ccc([N+](=O)[O-])cc12 ZINC000587574652 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587574729 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587574730 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587574731 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587574732 HH Annotated Bother COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](N=O)C2 ZINC000587574811 HH Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](N=O)C2 ZINC000587574815 HH Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](N=O)C2 ZINC000587574817 HH Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](N=O)C2 ZINC000587574819 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(CN(C)C)c1O ZINC000587574820 HH Annotated Clean COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(CN(C)C)c1O ZINC000587574821 HH Annotated Clean COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(CN(C)C)c1O ZINC000587574822 HH Annotated Clean COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(CN(C)C)c1O ZINC000587574824 HH Annotated Clean CN(C)C(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574846 HH Annotated Anodyne CN(C)C(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574847 HH Annotated Anodyne CN(C)C(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574849 HH Annotated Anodyne CN(C)C(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574851 HH Annotated Anodyne COc1c(O)ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000587574961 HH Annotated Bother COc1c(O)ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000587574962 HH Annotated Bother COc1c(O)ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000587574963 HH Annotated Bother COc1c(O)ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000587574964 HH Annotated Bother O=Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1 ZINC000587575059 HH Annotated Bother O=Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1 ZINC000587575060 HH Annotated Bother O=Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1 ZINC000587575062 HH Annotated Bother O=Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1 ZINC000587575063 HH Annotated Bother Nc1cccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587575094 HH Annotated Anodyne Nc1cccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587575096 HH Annotated Anodyne Nc1cccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587575097 HH Annotated Anodyne Nc1cccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587575098 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587575307 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587575308 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587575309 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587575310 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000587575608 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000587575610 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000587575612 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000587575614 HH Annotated Bother Cn1ccnc1[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575637 HH Annotated Anodyne Cn1ccnc1[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575641 HH Annotated Anodyne Cn1ccnc1[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575643 HH Annotated Anodyne Cn1ccnc1[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575645 HH Annotated Anodyne Nc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575798 HH Annotated Anodyne Nc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575799 HH Annotated Anodyne Nc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575800 HH Annotated Anodyne Nc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575801 HH Annotated Anodyne O=Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587575932 HH Annotated Bother O=Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587575934 HH Annotated Bother O=Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587575935 HH Annotated Bother O=Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587575936 HH Annotated Bother C[C@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575960 HH Annotated Bother C[C@@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575963 HH Annotated Bother C[C@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575965 HH Annotated Bother C[C@@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575966 HH Annotated Bother Cn1cccc1C1(c2cccn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576005 HH Annotated Anodyne Cn1cccc1C1(c2cccn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576012 HH Annotated Anodyne C=CCOC(=O)NC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587576379 HH Annotated Mild C=CCOC(=O)NC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587576380 HH Annotated Mild COc1cc([N+](=O)[O-])ccc1C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576408 HH Annotated Bother COc1cc([N+](=O)[O-])ccc1C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576410 HH Annotated Bother COc1cc([N+](=O)[O-])ccc1C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576412 HH Annotated Bother COc1cc([N+](=O)[O-])ccc1C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576414 HH Annotated Bother CC[C@]1(c2cc(C(=O)OC)n(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576463 HH Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576467 HH Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576468 HH Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576469 HH Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576641 HH Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576642 HH Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576643 HH Annotated Anodyne CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576645 HH Annotated Anodyne Cc1ccnc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576652 HH Annotated Anodyne Cc1ccnc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576658 HH Annotated Anodyne Cc1ccnc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576660 HH Annotated Anodyne Cc1ccnc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576662 HH Annotated Anodyne C[C@@]1(CC(=O)NCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576713 HH Annotated Anodyne C[C@@]1(CC(=O)NCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576716 HH Annotated Anodyne C[C@]1(CC(=O)NCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576719 HH Annotated Anodyne C[C@]1(CC(=O)NCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576722 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2nc(N)oc12 ZINC000587576824 HH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2nc(N)oc12 ZINC000587576832 HH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2nc(N)oc12 ZINC000587576834 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2nc(N)oc12 ZINC000587576836 HH Annotated Anodyne CC(C)(C)C(=O)N=c1cc[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576847 HH Annotated Anodyne CC(C)(C)C(=O)N=c1cc[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576856 HH Annotated Anodyne CC(C)(C)C(=O)N=c1cc[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576858 HH Annotated Anodyne CC(C)(C)C(=O)N=c1cc[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576860 HH Annotated Anodyne COc1c([N+](=O)[O-])ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587576865 HH Annotated Bother COc1c([N+](=O)[O-])ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587576868 HH Annotated Bother COc1c([N+](=O)[O-])ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587576871 HH Annotated Bother COc1c([N+](=O)[O-])ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587576874 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2ccc([N+](=O)[O-])cc12 ZINC000587576877 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2ccc([N+](=O)[O-])cc12 ZINC000587576879 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2ccc([N+](=O)[O-])cc12 ZINC000587576881 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2ccc([N+](=O)[O-])cc12 ZINC000587576883 HH Annotated Bother C[C@H](CC(=O)O)[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576919 HH Annotated Anodyne C[C@H](CC(=O)O)[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576927 HH Annotated Anodyne C[C@H](CC(=O)O)[C@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576928 HH Annotated Anodyne C[C@H](CC(=O)O)[C@@]1(c2ccc(N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576929 HH Annotated Anodyne C[C@]1(C(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576980 HH Annotated Bother C[C@]1(C(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576981 HH Annotated Bother C[C@@]1(C(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576982 HH Annotated Bother C[C@@]1(C(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576984 HH Annotated Bother COC(=O)CC[C@@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577085 HH Annotated Anodyne COC(=O)CC[C@@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577093 HH Annotated Anodyne COC(=O)CC[C@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577094 HH Annotated Anodyne COC(=O)CC[C@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577095 HH Annotated Anodyne Cc1cccnc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577129 HH Annotated Anodyne Cc1cccnc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577130 HH Annotated Anodyne Cc1cccnc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577132 HH Annotated Anodyne Cc1cccnc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577134 HH Annotated Anodyne COc1cc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587577149 HH Annotated Anodyne COc1cc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587577150 HH Annotated Anodyne COc1cc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587577151 HH Annotated Anodyne COc1cc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587577152 HH Annotated Anodyne COC(=O)c1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587577328 HH Annotated Bother COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587577330 HH Annotated Bother COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587577332 HH Annotated Bother COC(=O)c1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587577334 HH Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587577467 HH Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587577469 HH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587577470 HH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587577471 HH Annotated Bother CC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587577554 HH Annotated Bother CC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587577555 HH Annotated Bother CC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587577556 HH Annotated Bother CC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587577557 HH Annotated Bother COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577586 HH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577587 HH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@H]2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577588 HH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@H]2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577591 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587577652 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587577653 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587577655 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587577658 HH Annotated Bother COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587577698 HH Annotated Bother COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587577710 HH Annotated Bother COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587577713 HH Annotated Bother COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587577715 HH Annotated Bother COc1cc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587577769 HH Annotated Anodyne COc1cc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587577770 HH Annotated Anodyne COc1cc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587577771 HH Annotated Anodyne COc1cc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587577772 HH Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1OC ZINC000587577801 HH Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1OC ZINC000587577802 HH Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1OC ZINC000587577803 HH Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1OC ZINC000587577804 HH Annotated Anodyne CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577955 HH Annotated Bother CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577957 HH Annotated Bother CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577958 HH Annotated Bother CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577959 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O ZINC000587577989 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O ZINC000587577990 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O ZINC000587577991 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O ZINC000587577992 HH Annotated Bother COC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000587578273 HH Annotated Bother COC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000587578274 HH Annotated Bother COC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000587578275 HH Annotated Bother COC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-] ZINC000587578276 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000587578318 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000587578321 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000587578322 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000587578323 HH Annotated Bother Cn1cc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587578593 HH Annotated Anodyne Cn1cc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587578600 HH Annotated Anodyne Cn1cc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587578602 HH Annotated Anodyne Cn1cc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587578604 HH Annotated Anodyne CCn1nccc1[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578663 HH Annotated Anodyne CCn1nccc1[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578664 HH Annotated Anodyne CCn1nccc1[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578665 HH Annotated Anodyne CCn1nccc1[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578666 HH Annotated Anodyne C[C@@]1(c2cn(Cc3ccccc3)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578878 HH Annotated Anodyne C[C@@]1(c2cn(Cc3ccccc3)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578879 HH Annotated Anodyne C[C@]1(c2cn(Cc3ccccc3)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578880 HH Annotated Anodyne C[C@]1(c2cn(Cc3ccccc3)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578881 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1O ZINC000587579117 HH Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1O ZINC000587579118 HH Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1O ZINC000587579119 HH Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1O ZINC000587579120 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc([N+](=O)[O-])ccc12 ZINC000587579125 HH Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1cc([N+](=O)[O-])ccc12 ZINC000587579126 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc([N+](=O)[O-])ccc12 ZINC000587579127 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1cc([N+](=O)[O-])ccc12 ZINC000587579128 HH Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1cccnc1)CC2 ZINC000587579854 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1cccnc1)CC2 ZINC000587579855 HH Annotated Anodyne Cc1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587580220 HH Annotated Anodyne Cc1cccc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587580221 HH Annotated Anodyne Cc1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587580222 HH Annotated Anodyne Cc1cccc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587580223 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580417 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580427 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580429 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580431 HH Annotated Anodyne C[C@]1(COC(=O)c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580564 HH Annotated Anodyne C[C@@]1(COC(=O)c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580565 HH Annotated Anodyne C[C@]1(COC(=O)c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580566 HH Annotated Anodyne C[C@@]1(COC(=O)c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580567 HH Annotated Anodyne CO[C@H](C)c1ccc([C@]2(CN)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587580620 HH Annotated Anodyne CO[C@H](C)c1ccc([C@@]2(CN)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587580621 HH Annotated Anodyne CO[C@H](C)c1ccc([C@]2(CN)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587580622 HH Annotated Anodyne CO[C@H](C)c1ccc([C@@]2(CN)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587580623 HH Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587580714 HH Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587580717 HH Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587580720 HH Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587580723 HH Annotated Anodyne O=C(O)C1CN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)C1 ZINC000587580739 HH Annotated Anodyne O=C(O)C1CN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)C1 ZINC000587580740 HH Annotated Anodyne O=C(O)C1CN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)C1 ZINC000587580743 HH Annotated Anodyne O=C(O)C1CN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)C1 ZINC000587580746 HH Annotated Anodyne Cn1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587580794 HH Annotated Anodyne Cn1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587580799 HH Annotated Anodyne Cn1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587580801 HH Annotated Anodyne Cn1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587580803 HH Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581021 HH Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581022 HH Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581023 HH Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581024 HH Annotated Anodyne CCn1ccc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587581179 HH Annotated Anodyne CCn1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587581181 HH Annotated Anodyne CCn1ccc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587581183 HH Annotated Anodyne CCn1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587581185 HH Annotated Anodyne CN1CC[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587581277 HH Annotated Anodyne CN1CC[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587581278 HH Annotated Anodyne CN1CC[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587581279 HH Annotated Anodyne CN1CC[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587581281 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1ccccn1)CC2 ZINC000587581313 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1ccccn1)CC2 ZINC000587581314 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587581381 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587581383 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587581385 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587581387 HH Annotated Anodyne COCCn1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587581413 HH Annotated Anodyne COCCn1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587581414 HH Annotated Anodyne COCCn1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587581416 HH Annotated Anodyne COCCn1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587581418 HH Annotated Anodyne C[C@]1(c2cc3c(cc2N)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581579 HH Annotated Anodyne C[C@]1(c2cc3c(cc2N)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581585 HH Annotated Anodyne C[C@@]1(c2cc3c(cc2N)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581587 HH Annotated Anodyne C[C@@]1(c2cc3c(cc2N)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581589 HH Annotated Anodyne CCCOc1ccccc1[C@]1(CN)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581702 HH Annotated Anodyne CCCOc1ccccc1[C@]1(CN)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581704 HH Annotated Anodyne CCCOc1ccccc1[C@@]1(CN)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581706 HH Annotated Anodyne CCCOc1ccccc1[C@@]1(CN)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581707 HH Annotated Anodyne CCOCCCN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C)C1 ZINC000587581832 HH Annotated Anodyne CCOCCCN1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C)C1 ZINC000587581833 HH Annotated Anodyne CCOCCCN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C)C1 ZINC000587581834 HH Annotated Anodyne CCOCCCN1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C)C1 ZINC000587581835 HH Annotated Anodyne COc1ccc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587581862 HH Annotated Anodyne COc1ccc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587581864 HH Annotated Anodyne COc1ccc(N)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587581866 HH Annotated Anodyne COc1ccc(N)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587581868 HH Annotated Anodyne O=C(NC1CC1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581945 HH Annotated Anodyne O=C(NC1CC1)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581946 HH Annotated Anodyne O=C(NC1CC1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581948 HH Annotated Anodyne O=C(NC1CC1)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581950 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)C(=O)C2 ZINC000587582134 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)C(=O)C2 ZINC000587582135 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)C(=O)C2 ZINC000587582136 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)C(=O)C2 ZINC000587582137 HH Annotated Anodyne C[C@]1([C@H](N=O)C(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582176 HH Annotated Anodyne C[C@]1([C@@H](N=O)C(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582182 HH Annotated Anodyne C[C@]1([C@@H](N=O)C(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582183 HH Annotated Anodyne C[C@]1([C@H](N=O)C(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582184 HH Annotated Anodyne CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582324 HH Annotated Anodyne CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582325 HH Annotated Anodyne CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582326 HH Annotated Anodyne CC1(C)[C@@]2(C(N)=O)CC[C@@]1(C)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582327 HH Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582332 HH Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582333 HH Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582334 HH Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582335 HH Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582612 HH Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582613 HH Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582614 HH Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582615 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CN(C(=O)OCc1ccccc1)C2 ZINC000587582664 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CN(C(=O)OCc1ccccc1)C2 ZINC000587582665 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@@H]2Cn1cncn1 ZINC000587582816 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCC[C@H]2Cn1cncn1 ZINC000587582817 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@H]2Cn1cncn1 ZINC000587582818 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCC[C@@H]2Cn1cncn1 ZINC000587582819 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccco1)CC2 ZINC000587582916 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccco1)CC2 ZINC000587582917 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCC(O)CC2)o1 ZINC000587582930 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCC(O)CC2)o1 ZINC000587582931 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCC(O)CC2)o1 ZINC000587582932 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCC(O)CC2)o1 ZINC000587582933 HH Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582976 HH Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582977 HH Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582978 HH Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582979 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(c1ccccc1)C(=O)C2 ZINC000587583067 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(c1ccccc1)C(=O)C2 ZINC000587583068 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(c1ccccc1)C(=O)C2 ZINC000587583069 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(c1ccccc1)C(=O)C2 ZINC000587583071 HH Annotated Anodyne C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583088 HH Annotated Anodyne C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583089 HH Annotated Anodyne C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583090 HH Annotated Anodyne C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583091 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC(C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587583146 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC(C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587583147 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC(C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587583200 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC(C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587583202 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1ccncc1)CC2 ZINC000587583304 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1ccncc1)CC2 ZINC000587583305 HH Annotated Anodyne CC(C)COC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584098 HH Annotated Anodyne CC(C)COC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584099 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587584164 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587584166 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587584167 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587584168 HH Annotated Anodyne CCn1ncc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587584261 HH Annotated Anodyne CCn1ncc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587584263 HH Annotated Anodyne CCn1ncc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587584264 HH Annotated Anodyne CCn1ncc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587584265 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccoc1)CC2 ZINC000587584393 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccoc1)CC2 ZINC000587584394 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)C2=O ZINC000587584611 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)C2=O ZINC000587584612 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)C2=O ZINC000587584613 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)C2=O ZINC000587584614 HH Annotated Anodyne C[C@]1(CN2Cc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584684 HH Annotated Anodyne C[C@]1(CN2Cc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584685 HH Annotated Anodyne C[C@@]1(CN2Cc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584686 HH Annotated Anodyne C[C@@]1(CN2Cc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584687 HH Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585157 HH Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585160 HH Annotated Anodyne CCOC(=O)CC[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585162 HH Annotated Anodyne CCOC(=O)CC[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585164 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCn1c(O)nc3cccc2c31 ZINC000587585261 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCn1c(O)nc3cccc2c31 ZINC000587585265 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCn1c(O)nc3cccc2c31 ZINC000587585268 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCn1c(O)nc3cccc2c31 ZINC000587585269 HH Annotated Anodyne Cc1cc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)n2n1 ZINC000587585499 HH Annotated Anodyne Cc1cc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)n2n1 ZINC000587585506 HH Annotated Anodyne Cc1cc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)n2n1 ZINC000587585507 HH Annotated Anodyne Cc1cc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)n2n1 ZINC000587585508 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccccn1)c1ccccn1 ZINC000587585605 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccccn1)c1ccccn1 ZINC000587585606 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccccn1)c1ccccn1 ZINC000587585607 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccccn1)c1ccccn1 ZINC000587585608 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585939 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585940 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585941 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585942 HH Annotated Anodyne CC(C)(O)c1nn2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586200 HH Annotated Anodyne CC(C)(O)c1nn2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586201 HH Annotated Anodyne CC(C)(O)c1nn2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586203 HH Annotated Anodyne CC(C)(O)c1nn2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586204 HH Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c2cc(O)nc(O)c12 ZINC000587586437 HH Annotated Clean Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c2cc(O)nc(O)c12 ZINC000587586438 HH Annotated Clean Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c2cc(O)nc(O)c12 ZINC000587586439 HH Annotated Clean Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c2cc(O)nc(O)c12 ZINC000587586440 HH Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1Cc3ccccc3N[C@@H]12 ZINC000587586441 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1Cc3ccccc3N[C@@H]12 ZINC000587586442 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1Cc3ccccc3N[C@H]12 ZINC000587586443 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1Cc3ccccc3N[C@H]12 ZINC000587586444 HH Annotated Anodyne C=C1NC(C)=Cn2nc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587586516 HH Annotated Anodyne C=C1NC(C)=Cn2nc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587586519 HH Annotated Anodyne C=C1NC(C)=Cn2nc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587586521 HH Annotated Anodyne C=C1NC(C)=Cn2nc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587586523 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1c[nH]c2ccccc12)C(=O)O ZINC000587586784 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1c[nH]c2ccccc12)C(=O)O ZINC000587586785 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1c[nH]c2ccccc12)C(=O)O ZINC000587586786 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1c[nH]c2ccccc12)C(=O)O ZINC000587586787 HH Annotated Anodyne COC(=O)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n2ccccc12 ZINC000587587182 HH Annotated Anodyne COC(=O)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n2ccccc12 ZINC000587587183 HH Annotated Anodyne COC(=O)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n2ccccc12 ZINC000587587184 HH Annotated Anodyne COC(=O)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n2ccccc12 ZINC000587587185 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c(OC)n1 ZINC000587587190 HH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c(OC)n1 ZINC000587587191 HH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c(OC)n1 ZINC000587587192 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c(OC)n1 ZINC000587587193 HH Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587194 HH Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587195 HH Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587196 HH Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587197 HH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587461 HH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587465 HH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587468 HH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587470 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)nc1OC ZINC000587587594 HH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)nc1OC ZINC000587587596 HH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)nc1OC ZINC000587587597 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)nc1OC ZINC000587587598 HH Annotated Anodyne CCOC(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587587725 HH Annotated Anodyne CCOC(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587587729 HH Annotated Anodyne CCOC(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587587734 HH Annotated Anodyne CCOC(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587587738 HH Annotated Anodyne COc1ccc2[nH]c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587587807 HH Annotated Anodyne COc1ccc2[nH]c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587587830 HH Annotated Anodyne COc1ccc2[nH]c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587587832 HH Annotated Anodyne COc1ccc2[nH]c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587587833 HH Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)nc1OC ZINC000587588247 HH Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)nc1OC ZINC000587588248 HH Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)nc1OC ZINC000587588249 HH Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)nc1OC ZINC000587588250 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cnoc1)c1ccccc1O ZINC000587588293 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cnoc1)c1ccccc1O ZINC000587588294 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cnoc1)c1ccccc1O ZINC000587588295 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cnoc1)c1ccccc1O ZINC000587588296 HH Annotated Anodyne Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588371 HH Annotated Anodyne Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588372 HH Annotated Anodyne Cc1[nH]c2c(c1C(=O)O)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588373 HH Annotated Anodyne Cc1[nH]c2c(c1C(=O)O)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588374 HH Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 ZINC000587588395 HH Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 ZINC000587588396 HH Annotated Anodyne COc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 ZINC000587588397 HH Annotated Anodyne COc1cc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 ZINC000587588399 HH Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587588547 HH Annotated Anodyne CCOC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587588548 HH Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587588550 HH Annotated Anodyne CCOC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587588552 HH Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589352 HH Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589355 HH Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1O ZINC000587589849 HH Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1O ZINC000587589850 HH Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1O ZINC000587589851 HH Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1O ZINC000587589852 HH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587589861 HH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587589862 HH Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587589863 HH Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587589864 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)c1cccnc1-c1ncccc12 ZINC000587589919 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1cccnc1-c1ncccc12 ZINC000587589920 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1cccnc1-c1ncccc12 ZINC000587589921 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1cccnc1-c1ncccc12 ZINC000587589922 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590049 HH Annotated Anodyne CCOC(=O)[C@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590050 HH Annotated Anodyne CCOC(=O)[C@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590051 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ncccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590052 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590383 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590384 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590385 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590386 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590433 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590434 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590435 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590436 HH Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590550 HH Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590553 HH Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590556 HH Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590559 HH Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587590636 HH Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587590656 HH Annotated Anodyne COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587590659 HH Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587590660 HH Annotated Anodyne COC(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590791 HH Annotated Anodyne COC(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590792 HH Annotated Anodyne COC(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590793 HH Annotated Anodyne COC(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590794 HH Annotated Anodyne C[C@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590803 HH Annotated Anodyne C[C@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590804 HH Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590805 HH Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590806 HH Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590914 HH Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590915 HH Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590916 HH Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590917 HH Annotated Anodyne COC(=O)Cc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590946 HH Annotated Anodyne COC(=O)Cc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590948 HH Annotated Anodyne COC(=O)Cc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590949 HH Annotated Anodyne COC(=O)Cc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590951 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCC(=O)N1CCc3cccc2c31 ZINC000587590981 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC(=O)N1CCc3cccc2c31 ZINC000587590983 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCC(=O)N1CCc3cccc2c31 ZINC000587590984 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC(=O)N1CCc3cccc2c31 ZINC000587590986 HH Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CC(=O)O ZINC000587591039 HH Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CC(=O)O ZINC000587591041 HH Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CC(=O)O ZINC000587591042 HH Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CC(=O)O ZINC000587591044 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1C=O ZINC000587591076 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1C=O ZINC000587591081 HH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1C=O ZINC000587591083 HH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1C=O ZINC000587591085 HH Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(=O)O)c1OC ZINC000587591142 HH Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(=O)O)c1OC ZINC000587591145 HH Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(=O)O)c1OC ZINC000587591147 HH Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(=O)O)c1OC ZINC000587591150 HH Annotated Anodyne COc1cc(OC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1C=O ZINC000587591159 HH Annotated Anodyne COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1C=O ZINC000587591161 HH Annotated Anodyne COc1cc(OC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1C=O ZINC000587591162 HH Annotated Anodyne COc1cc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1C=O ZINC000587591164 HH Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591331 HH Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591335 HH Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591339 HH Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591343 HH Annotated Anodyne COC(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587591588 HH Annotated Anodyne COC(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587591594 HH Annotated Anodyne COC(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587591596 HH Annotated Anodyne COC(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587591598 HH Annotated Anodyne COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C=O)c1 ZINC000587591603 HH Annotated Anodyne COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C=O)c1 ZINC000587591619 HH Annotated Anodyne COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C=O)c1 ZINC000587591624 HH Annotated Anodyne COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C=O)c1 ZINC000587591626 HH Annotated Anodyne COC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591640 HH Annotated Anodyne COC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591642 HH Annotated Anodyne COC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591686 HH Annotated Anodyne COC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591687 HH Annotated Anodyne COC(=O)c1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591720 HH Annotated Anodyne COC(=O)c1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591722 HH Annotated Anodyne COC(=O)c1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591724 HH Annotated Anodyne COC(=O)c1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591727 HH Annotated Anodyne COC(=O)[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591871 HH Annotated Anodyne COC(=O)[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591874 HH Annotated Anodyne COC(=O)[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591877 HH Annotated Anodyne COC(=O)[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591880 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)[C@@H]1CCCNC1 ZINC000587591883 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccn1)[C@H]1CCCNC1 ZINC000587591889 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)[C@H]1CCCNC1 ZINC000587591892 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccn1)[C@@H]1CCCNC1 ZINC000587591894 HH Annotated Anodyne COC(=O)c1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591925 HH Annotated Anodyne COC(=O)c1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591930 HH Annotated Anodyne COC(=O)c1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591934 HH Annotated Anodyne COC(=O)c1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591938 HH Annotated Anodyne O=C(O)c1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n[nH]c2c1 ZINC000587592314 HH Annotated Anodyne O=C(O)c1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n[nH]c2c1 ZINC000587592318 HH Annotated Anodyne O=C(O)c1ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n[nH]c2c1 ZINC000587592320 HH Annotated Anodyne O=C(O)c1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n[nH]c2c1 ZINC000587592322 HH Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592423 HH Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592425 HH Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592427 HH Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592428 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1c[nH]c2ccccc12 ZINC000587592993 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1c[nH]c2ccccc12 ZINC000587592997 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1c[nH]c2ccccc12 ZINC000587592998 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1c[nH]c2ccccc12 ZINC000587592999 HH Annotated Anodyne C[C@]1(c2cccc(N3CCNC3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593150 HH Annotated Anodyne C[C@]1(c2cccc(N3CCNC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593151 HH Annotated Anodyne C[C@@]1(c2cccc(N3CCNC3=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593152 HH Annotated Anodyne C[C@@]1(c2cccc(N3CCNC3=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593153 HH Annotated Anodyne C[C@H](Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587593282 HH Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(O)c1OC ZINC000587593292 HH Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(O)c1OC ZINC000587593293 HH Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(O)c1OC ZINC000587593294 HH Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(O)c1OC ZINC000587593295 HH Annotated Anodyne COC(=O)[C@@H]1CCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587593300 HH Annotated Anodyne COC(=O)[C@@H]1CCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587593301 HH Annotated Anodyne COC(=O)[C@@H]1CCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587593302 HH Annotated Anodyne COC(=O)[C@@H]1CCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587593303 HH Annotated Anodyne C[C@H](Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587593308 HH Annotated Anodyne C[C@H](Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587593310 HH Annotated Anodyne C[C@H](Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587593312 HH Annotated Anodyne C[C@]1(c2ccc3c(c2)OCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593329 HH Annotated Anodyne C[C@]1(c2ccc3c(c2)OCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593331 HH Annotated Anodyne C[C@@]1(c2ccc3c(c2)OCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593333 HH Annotated Anodyne C[C@@]1(c2ccc3c(c2)OCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593335 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593423 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593424 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593425 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593426 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593447 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593448 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593449 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593450 HH Annotated Anodyne CN1CCN(c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587593534 HH Annotated Anodyne CN1CCN(c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587593535 HH Annotated Anodyne CN1CCN(c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587593536 HH Annotated Anodyne CN1CCN(c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587593537 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CN2CCOCC2)c1 ZINC000587593564 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CN2CCOCC2)c1 ZINC000587593565 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CN2CCOCC2)c1 ZINC000587593566 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CN2CCOCC2)c1 ZINC000587593567 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2C1 ZINC000587594101 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2C1 ZINC000587594103 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2C1 ZINC000587594105 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594107 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594109 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594111 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2C1 ZINC000587594113 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594115 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c(O)c1O ZINC000587594235 HH Annotated Clean COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c(O)c1O ZINC000587594236 HH Annotated Clean COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c(O)c1O ZINC000587594237 HH Annotated Clean COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c(O)c1O ZINC000587594238 HH Annotated Clean COC(=O)[C@@H]1c2ccccc2C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594291 HH Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594292 HH Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594293 HH Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594294 HH Annotated Anodyne O=C(O)CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594339 HH Annotated Anodyne O=C(O)CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594340 HH Annotated Anodyne O=C(O)CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594341 HH Annotated Anodyne O=C(O)CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594342 HH Annotated Anodyne C[C@H](Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C(=O)O ZINC000587594417 HH Annotated Anodyne C[C@H](Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C(=O)O ZINC000587594418 HH Annotated Anodyne C[C@H](Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C(=O)O ZINC000587594419 HH Annotated Anodyne C[C@H](Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C(=O)O ZINC000587594420 HH Annotated Anodyne CCOC(=O)c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587594747 HH Annotated Anodyne CCOC(=O)c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587594748 HH Annotated Anodyne CCOC(=O)c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587594749 HH Annotated Anodyne CCOC(=O)c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587594750 HH Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587594882 HH Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587594883 HH Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587594884 HH Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587594886 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1O ZINC000587595048 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1O ZINC000587595050 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1O ZINC000587595051 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1O ZINC000587595053 HH Annotated Anodyne CCOc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587595083 HH Annotated Anodyne CCOc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587595086 HH Annotated Anodyne CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C)ccc21 ZINC000587595088 HH Annotated Anodyne CCOc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587595089 HH Annotated Anodyne CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C)ccc21 ZINC000587595090 HH Annotated Anodyne CCOc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587595091 HH Annotated Anodyne CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C)ccc21 ZINC000587595092 HH Annotated Anodyne CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C)ccc21 ZINC000587595093 HH Annotated Anodyne COc1cc(C(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587595280 HH Annotated Anodyne COc1cc(C(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587595281 HH Annotated Anodyne COc1cc(C(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587595282 HH Annotated Anodyne COc1cc(C(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587595283 HH Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1O ZINC000587595305 HH Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1O ZINC000587595307 HH Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1O ZINC000587595309 HH Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1O ZINC000587595310 HH Annotated Anodyne COC(=O)c1ccc(OC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587595365 HH Annotated Anodyne COC(=O)c1ccc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587595367 HH Annotated Anodyne COC(=O)c1ccc(OC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587595369 HH Annotated Anodyne COC(=O)c1ccc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587595371 HH Annotated Anodyne COc1ccc(OCC(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587595398 HH Annotated Anodyne COc1ccc(OCC(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587595400 HH Annotated Anodyne COc1ccc(OCC(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587595401 HH Annotated Anodyne COc1ccc(OCC(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587595402 HH Annotated Anodyne CC(C)OC1=C(OC(C)C)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587595411 HH Annotated Mild CC(C)OC1=C(OC(C)C)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587595412 HH Annotated Mild CC(C)OC1=C(OC(C)C)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587595413 HH Annotated Mild CC(C)OC1=C(OC(C)C)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587595414 HH Annotated Mild C[C@]1(Cn2cnc3ccccc3c2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595705 HH Annotated Anodyne C[C@]1(Cn2cnc3ccccc3c2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595706 HH Annotated Anodyne C[C@@]1(Cn2cnc3ccccc3c2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595707 HH Annotated Anodyne C[C@@]1(Cn2cnc3ccccc3c2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595708 HH Annotated Anodyne COC(=O)c1ccc(C=O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587595791 HH Annotated Anodyne COC(=O)c1ccc(C=O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587595792 HH Annotated Anodyne COC(=O)c1ccc(C=O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587595793 HH Annotated Anodyne COC(=O)c1ccc(C=O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587595794 HH Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595843 HH Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595844 HH Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595845 HH Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595846 HH Annotated Anodyne C[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587595895 HH Annotated Anodyne C[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587595896 HH Annotated Anodyne C[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587595897 HH Annotated Anodyne C[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587595898 HH Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587595903 HH Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587595904 HH Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587595905 HH Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587595906 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)O ZINC000587595907 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)O ZINC000587595908 HH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)O ZINC000587595909 HH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)O ZINC000587595910 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCNCC2)cc1 ZINC000587596109 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCNCC2)cc1 ZINC000587596111 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCNCC2)cc1 ZINC000587596113 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCNCC2)cc1 ZINC000587596115 HH Annotated Anodyne C[C@]1(c2ccc(N3CCNC3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596117 HH Annotated Anodyne C[C@]1(c2ccc(N3CCNC3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596119 HH Annotated Anodyne C[C@@]1(c2ccc(N3CCNC3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596120 HH Annotated Anodyne C[C@@]1(c2ccc(N3CCNC3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596121 HH Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587596186 HH Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587596188 HH Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587596190 HH Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587596192 HH Annotated Anodyne C[C@]1(c2ccccc2OCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596291 HH Annotated Anodyne C[C@]1(c2ccccc2OCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596292 HH Annotated Anodyne C[C@@]1(c2ccccc2OCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596293 HH Annotated Anodyne C[C@@]1(c2ccccc2OCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596294 HH Annotated Anodyne COC(=O)C[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596395 HH Annotated Anodyne COC(=O)C[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596397 HH Annotated Anodyne COC(=O)C[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596399 HH Annotated Anodyne COC(=O)C[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596401 HH Annotated Anodyne O=C(O)CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596424 HH Annotated Anodyne O=C(O)CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596425 HH Annotated Anodyne O=C(O)CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596427 HH Annotated Anodyne O=C(O)CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596429 HH Annotated Anodyne COC(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596732 HH Annotated Anodyne COC(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596733 HH Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596734 HH Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596735 HH Annotated Anodyne COCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587596845 HH Annotated Anodyne COCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587596846 HH Annotated Anodyne COCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587596847 HH Annotated Anodyne COCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587596848 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCCCC2)nc1 ZINC000587596986 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCCCC2)nc1 ZINC000587596987 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCCCC2)nc1 ZINC000587596988 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCCCC2)nc1 ZINC000587596989 HH Annotated Anodyne C[C@@]1(c2ccc(N3CCNCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597057 HH Annotated Anodyne C[C@]1(c2ccc(N3CCNCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597059 HH Annotated Anodyne C[C@@]1(c2ccc(N3CCNCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597061 HH Annotated Anodyne C[C@]1(c2ccc(N3CCNCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597062 HH Annotated Anodyne O=C1C[C@]2(C[C@H](c3ccccc3)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587597066 HH Annotated Anodyne O=C1C[C@]2(C[C@@H](c3ccccc3)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587597068 HH Annotated Anodyne O=C1C[C@]2(C[C@H](c3ccccc3)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587597071 HH Annotated Anodyne O=C1C[C@]2(C[C@@H](c3ccccc3)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587597074 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597078 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597080 HH Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587597169 HH Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587597171 HH Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587597175 HH Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(=O)O ZINC000587597178 HH Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597396 HH Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597398 HH Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597401 HH Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597403 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(N2CCOCC2)c1 ZINC000587597507 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(N2CCOCC2)c1 ZINC000587597508 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(N2CCOCC2)c1 ZINC000587597511 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(N2CCOCC2)c1 ZINC000587597514 HH Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2C ZINC000587597553 HH Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2C ZINC000587597564 HH Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2C ZINC000587597568 HH Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2C ZINC000587597573 HH Annotated Anodyne COC(=O)COc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597607 HH Annotated Anodyne COC(=O)COc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597611 HH Annotated Anodyne COC(=O)COc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597615 HH Annotated Anodyne COC(=O)COc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597618 HH Annotated Anodyne C[C@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597682 HH Annotated Anodyne C[C@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597685 HH Annotated Anodyne C[C@@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597688 HH Annotated Anodyne C[C@@]1(c2ccc3c(c2)NC(=O)CO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597692 HH Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC(=O)O ZINC000587597761 HH Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC(=O)O ZINC000587597762 HH Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC(=O)O ZINC000587597763 HH Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC(=O)O ZINC000587597764 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]2C1 ZINC000587598046 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]2C1 ZINC000587598049 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]2C1 ZINC000587598059 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598064 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]2C1 ZINC000587598068 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]2C1 ZINC000587598070 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]2C1 ZINC000587598072 HH Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598075 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587598179 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587598180 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587598181 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587598182 HH Annotated Anodyne COc1cc(C)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587598301 HH Annotated Anodyne COc1cc(C)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587598306 HH Annotated Anodyne COc1cc(C)c2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587598309 HH Annotated Anodyne COc1cc(C)c2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587598310 HH Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC(=O)O)c1 ZINC000587598440 HH Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC(=O)O)c1 ZINC000587598445 HH Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC(=O)O)c1 ZINC000587598450 HH Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC(=O)O)c1 ZINC000587598454 HH Annotated Anodyne CCOC(=O)[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598520 HH Annotated Anodyne CCOC(=O)[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598522 HH Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598523 HH Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598525 HH Annotated Anodyne COC1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2C1=O ZINC000587598538 HH Annotated Mild COC1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2C1=O ZINC000587598544 HH Annotated Mild COC1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2C1=O ZINC000587598545 HH Annotated Mild COC1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2C1=O ZINC000587598549 HH Annotated Mild O=C(O)CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598820 HH Annotated Anodyne O=C(O)CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598821 HH Annotated Anodyne O=C(O)CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598822 HH Annotated Anodyne O=C(O)CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598823 HH Annotated Anodyne O=C1C[C@]2(C[C@H](Cc3ccccc3)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598898 HH Annotated Anodyne O=C1C[C@]2(C[C@@H](Cc3ccccc3)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598901 HH Annotated Anodyne O=C1C[C@]2(C[C@@H](Cc3ccccc3)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598907 HH Annotated Anodyne O=C1C[C@]2(C[C@H](Cc3ccccc3)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598909 HH Annotated Anodyne COc1ccc([C@]2(COC(C)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598926 HH Annotated Anodyne COc1ccc([C@]2(COC(C)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598927 HH Annotated Anodyne COc1ccc([C@@]2(COC(C)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598928 HH Annotated Anodyne COc1ccc([C@@]2(COC(C)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598929 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1 ZINC000587599024 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1 ZINC000587599025 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1 ZINC000587599027 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1 ZINC000587599029 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CN2CCOCC2)o1 ZINC000587599091 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CN2CCOCC2)o1 ZINC000587599092 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CN2CCOCC2)o1 ZINC000587599093 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CN2CCOCC2)o1 ZINC000587599094 HH Annotated Anodyne COC(=O)c1cc(OC)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587599170 HH Annotated Anodyne COC(=O)c1cc(OC)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587599172 HH Annotated Anodyne COC(=O)c1cc(OC)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587599174 HH Annotated Anodyne COC(=O)c1cc(OC)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587599176 HH Annotated Anodyne CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599490 HH Annotated Anodyne CCOC(=O)[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599493 HH Annotated Anodyne CCOC(=O)[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599496 HH Annotated Anodyne CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599497 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599859 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599860 HH Annotated Anodyne COC(=O)C[C@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599861 HH Annotated Anodyne COC(=O)C[C@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599862 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600015 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600016 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600017 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600018 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600111 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600112 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600113 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600114 HH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600191 HH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600192 HH Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600193 HH Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600194 HH Annotated Anodyne COC1=CC(=O)c2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600222 HH Annotated Mild COC1=CC(=O)c2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600224 HH Annotated Mild COC1=CC(=O)c2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600226 HH Annotated Mild COC1=CC(=O)c2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600227 HH Annotated Mild O=C(O)CCCC1(CCCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600487 HH Annotated Anodyne O=C(O)CCCC1(CCCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600488 HH Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587602315 HH Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587602317 HH Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587602318 HH Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587602319 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc2c(c1)CCC2 ZINC000587602644 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccc2c(c1)CCC2 ZINC000587602648 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc2c(c1)CCC2 ZINC000587602649 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccc2c(c1)CCC2 ZINC000587602651 HH Annotated Anodyne N#CSC[C@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604903 HH Annotated Reactive N#CSC[C@@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604904 HH Annotated Reactive N#CSC[C@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604905 HH Annotated Reactive N#CSC[C@@]1(c2ccc(O)c(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604906 HH Annotated Reactive C[C@]1(CS(=O)(=O)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605506 HH Annotated Anodyne C[C@@]1(CS(=O)(=O)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605512 HH Annotated Anodyne C[C@]1(CS(=O)(=O)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605514 HH Annotated Anodyne C[C@@]1(CS(=O)(=O)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605515 HH Annotated Anodyne CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587605535 HH Annotated Anodyne CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587605536 HH Annotated Anodyne CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587605537 HH Annotated Anodyne CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587605538 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587606059 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587606060 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587606061 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587606062 HH Annotated Anodyne COc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCO2 ZINC000587606200 HH Annotated Anodyne COc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCO2 ZINC000587606201 HH Annotated Anodyne COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCO2 ZINC000587606202 HH Annotated Anodyne COc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCO2 ZINC000587606203 HH Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606344 HH Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606348 HH Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606349 HH Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606350 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc3c(cc12)OCO3 ZINC000587606482 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc3c(cc12)OCO3 ZINC000587606483 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1cc3c(cc12)OCO3 ZINC000587606484 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1cc3c(cc12)OCO3 ZINC000587606485 HH Annotated Anodyne C[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606587 HH Annotated Anodyne C[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606588 HH Annotated Anodyne C[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606589 HH Annotated Anodyne C[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606590 HH Annotated Anodyne CCS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587606638 HH Annotated Anodyne CCS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587606640 HH Annotated Anodyne CCS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587606641 HH Annotated Anodyne CCS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587606642 HH Annotated Anodyne O=C(O)[C@@H]1C[C@@H]1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606763 HH Annotated Anodyne O=C(O)[C@@H]1C[C@@H]1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606764 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1C[C@H]1C(=O)O ZINC000587606765 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1C[C@H]1C(=O)O ZINC000587606766 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc3c(cc12)OCCO3 ZINC000587606845 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc3c(cc12)OCCO3 ZINC000587606846 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc3c(cc12)OCCO3 ZINC000587606847 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc3c(cc12)OCCO3 ZINC000587606848 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2c1OCCO2 ZINC000587607506 HH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2c1OCCO2 ZINC000587607508 HH Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2c1OCCO2 ZINC000587607509 HH Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2c1OCCO2 ZINC000587607510 HH Annotated Anodyne O=C(O)c1ccc2c(c1)OC=C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608022 HH Annotated Anodyne O=C(O)c1ccc2c(c1)OC=C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608023 HH Annotated Anodyne O=C(O)c1ccc2c(c1)OC=C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608024 HH Annotated Anodyne O=C(O)c1ccc2c(c1)OC=C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608026 HH Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(C(=O)O)=CO2 ZINC000587608027 HH Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(C(=O)O)=CO2 ZINC000587608029 HH Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(C(=O)O)=CO2 ZINC000587608030 HH Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(C(=O)O)=CO2 ZINC000587608032 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(C1CCOCC1)C1CCOCC1 ZINC000587608118 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(C1CCOCC1)C1CCOCC1 ZINC000587608119 HH Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587608348 HH Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587608351 HH Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587608353 HH Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2O1 ZINC000587608355 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)s1 ZINC000587608920 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)s1 ZINC000587608923 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)s1 ZINC000587608924 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)s1 ZINC000587608925 HH Annotated Anodyne C[C@]1(c2ccc(CS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609015 HH Annotated Anodyne C[C@]1(c2ccc(CS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609016 HH Annotated Anodyne C[C@@]1(c2ccc(CS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609017 HH Annotated Anodyne C[C@@]1(c2ccc(CS(C)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609018 HH Annotated Anodyne Cn1cc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cn1 ZINC000587609134 HH Annotated Anodyne Cn1cc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cn1 ZINC000587609136 HH Annotated Anodyne Cn1cc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cn1 ZINC000587609137 HH Annotated Anodyne Cn1cc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cn1 ZINC000587609138 HH Annotated Anodyne Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609162 HH Annotated Anodyne Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609163 HH Annotated Anodyne Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609164 HH Annotated Anodyne Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609165 HH Annotated Anodyne O=C1OCC[C@@H]1Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587609610 HH Annotated Anodyne O=C1OCC[C@@H]1Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587609611 HH Annotated Anodyne O=C1OCC[C@@H]1Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587609612 HH Annotated Anodyne O=C1OCC[C@@H]1Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587609613 HH Annotated Anodyne O=C(O)c1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1)OCOC2 ZINC000587610559 HH Annotated Anodyne O=C(O)c1cc2c(c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1)OCOC2 ZINC000587610567 HH Annotated Anodyne O=C(O)c1cc2c(c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c1)OCOC2 ZINC000587610568 HH Annotated Anodyne O=C(O)c1cc2c(c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c1)OCOC2 ZINC000587610570 HH Annotated Anodyne C[C@@]1(c2cccc(NC(N)=S)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611138 HH Annotated Anodyne C[C@@]1(c2cccc(NC(N)=S)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611142 HH Annotated Anodyne C[C@]1(c2cccc(NC(N)=S)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611143 HH Annotated Anodyne C[C@]1(c2cccc(NC(N)=S)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611145 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCNCC2)s1 ZINC000587611422 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCNCC2)s1 ZINC000587611426 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCNCC2)s1 ZINC000587611427 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCNCC2)s1 ZINC000587611428 HH Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611991 HH Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611992 HH Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611993 HH Annotated Anodyne Cc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611994 HH Annotated Anodyne Cn1cc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cn1 ZINC000587612235 HH Annotated Anodyne Cn1cc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cn1 ZINC000587612236 HH Annotated Anodyne Cn1cc(-c2csc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cn1 ZINC000587612237 HH Annotated Anodyne Cn1cc(-c2csc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cn1 ZINC000587612238 HH Annotated Anodyne Cc1cccc2c1OC(C(=O)O)=C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612508 HH Annotated Anodyne Cc1cccc2c1OC(C(=O)O)=C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612509 HH Annotated Anodyne Cc1cccc2c1OC(C(=O)O)=C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612510 HH Annotated Anodyne Cc1cccc2c1OC(C(=O)O)=C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612511 HH Annotated Anodyne O=C(O)C1=COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613052 HH Annotated Anodyne O=C(O)C1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613053 HH Annotated Anodyne O=C(O)C1=COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613054 HH Annotated Anodyne O=C(O)C1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613055 HH Annotated Anodyne Cn1cnnc1Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587613228 HH Annotated Anodyne Cn1cnnc1Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587613230 HH Annotated Anodyne Cn1cnnc1Sc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587613232 HH Annotated Anodyne Cn1cnnc1Sc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587613235 HH Annotated Anodyne CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587613268 HH Annotated Anodyne CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587613271 HH Annotated Anodyne CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587613273 HH Annotated Anodyne CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587613276 HH Annotated Anodyne CC(=O)NCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613379 HH Annotated Anodyne CC(=O)NCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613381 HH Annotated Anodyne CC(=O)NCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613382 HH Annotated Anodyne CC(=O)NCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613383 HH Annotated Anodyne Cc1nc(N2CCOCC2)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613536 HH Annotated Anodyne Cc1nc(N2CCOCC2)sc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613539 HH Annotated Anodyne Cc1nc(N2CCOCC2)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613541 HH Annotated Anodyne Cc1nc(N2CCOCC2)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613543 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(C(=O)O)(c1ccccc1)C2 ZINC000587613586 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(C(=O)O)(c1ccccc1)C2 ZINC000587613587 HH Annotated Anodyne C[C@@]1(c2ccc(NC(N)=S)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613614 HH Annotated Anodyne C[C@@]1(c2ccc(NC(N)=S)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613615 HH Annotated Anodyne C[C@]1(c2ccc(NC(N)=S)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613616 HH Annotated Anodyne C[C@]1(c2ccc(NC(N)=S)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613617 HH Annotated Anodyne CCOC(=O)c1csc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587613858 HH Annotated Anodyne CCOC(=O)c1csc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587613859 HH Annotated Anodyne CCOC(=O)c1csc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587613860 HH Annotated Anodyne CCOC(=O)c1csc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587613862 HH Annotated Anodyne CC(C)(C)OC(=O)[C@]1(C2=COCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614026 HH Annotated Anodyne CC(C)(C)OC(=O)[C@@]1(C2=COCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614027 HH Annotated Anodyne CC(C)(C)OC(=O)[C@@]1(C2=COCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614028 HH Annotated Anodyne CC(C)(C)OC(=O)[C@]1(C2=COCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614029 HH Annotated Anodyne CSc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614218 HH Annotated Anodyne CSc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614220 HH Annotated Anodyne CSc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614221 HH Annotated Anodyne CSc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614223 HH Annotated Anodyne CC(=O)Nc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614337 HH Annotated Anodyne CC(=O)Nc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614342 HH Annotated Anodyne CC(=O)Nc1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614344 HH Annotated Anodyne CC(=O)Nc1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614346 HH Annotated Anodyne O=C(O)C[C@@H]1CCc2occc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587614560 HH Annotated Anodyne O=C(O)C[C@@H]1CCc2occc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587614561 HH Annotated Anodyne O=C(O)C[C@@H]1CCc2occc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587614562 HH Annotated Anodyne O=C(O)C[C@@H]1CCc2occc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587614563 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2nc[nH]n2)o1 ZINC000587614690 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2nc[nH]n2)o1 ZINC000587614691 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2nc[nH]n2)o1 ZINC000587614692 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2nc[nH]n2)o1 ZINC000587614693 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCS(=O)(=O)c1ccccc12 ZINC000587614881 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCS(=O)(=O)c1ccccc12 ZINC000587614886 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCS(=O)(=O)c1ccccc12 ZINC000587614887 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCS(=O)(=O)c1ccccc12 ZINC000587614888 HH Annotated Anodyne NC(=O)c1csc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587615182 HH Annotated Reactive NC(=O)c1csc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587615183 HH Annotated Reactive NC(=O)c1csc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587615184 HH Annotated Reactive NC(=O)c1csc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587615185 HH Annotated Reactive CCOC(=O)C[C@]1(C[C@@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615389 HH Annotated Anodyne CCOC(=O)C[C@]1(C[C@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615395 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CN2CCOCC2)s1 ZINC000587615419 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CN2CCOCC2)s1 ZINC000587615420 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CN2CCOCC2)s1 ZINC000587615421 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CN2CCOCC2)s1 ZINC000587615422 HH Annotated Anodyne CCN(C(C)=O)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587615605 HH Annotated Anodyne CCN(C(C)=O)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587615624 HH Annotated Anodyne CCN(C(C)=O)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587615625 HH Annotated Anodyne CCN(C(C)=O)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587615627 HH Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615645 HH Annotated Anodyne CCOC(=O)C[C@]1(C[C@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615647 HH Annotated Anodyne Cc1nnc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)s1 ZINC000587616037 HH Annotated Anodyne Cc1nnc(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)s1 ZINC000587616043 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616910 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616911 HH Annotated Anodyne CCOC(=O)C[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616912 HH Annotated Anodyne CCOC(=O)C[C@]1(c2nccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616913 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc2ccccc2s1)C(O)O ZINC000587617116 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc2ccccc2s1)C(O)O ZINC000587617121 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc2ccccc2s1)C(O)O ZINC000587617123 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc2ccccc2s1)C(O)O ZINC000587617125 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(C)c2c1 ZINC000587617239 HH Annotated Reactive COC[C@@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617420 HH Annotated Anodyne COC[C@@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617421 HH Annotated Anodyne COC[C@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617423 HH Annotated Anodyne COC[C@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617424 HH Annotated Anodyne COC(=O)c1coc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618291 HH Annotated Anodyne COC(=O)c1coc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618292 HH Annotated Anodyne COC(=O)c1coc2c1[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618293 HH Annotated Anodyne COC(=O)c1coc2c1[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618294 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCl)c2c1 ZINC000587618335 HH Annotated Reactive CN1CCc2c(sc(N)c2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587618376 HH Annotated Anodyne CN1CCc2c(sc(N)c2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587618378 HH Annotated Anodyne CN1CCc2c(sc(N)c2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587618379 HH Annotated Anodyne CN1CCc2c(sc(N)c2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587618381 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCl)c(C)c2c1 ZINC000587618384 HH Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCC1OCCO1 ZINC000587618563 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCC1OCCO1 ZINC000587618564 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCC1OCCO1 ZINC000587618565 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCC1OCCO1 ZINC000587618566 HH Annotated Anodyne O=C1C[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CO1 ZINC000587618979 HH Annotated Anodyne O=C1C[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CO1 ZINC000587618981 HH Annotated Anodyne O=C1C[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CO1 ZINC000587618983 HH Annotated Anodyne O=C1C[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CO1 ZINC000587618984 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCCl)c2c1 ZINC000587619093 HH Annotated Reactive CCOC(=O)[C@@H]1CCSCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587619178 HH Annotated Anodyne CCOC(=O)[C@@H]1CCSCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587619180 HH Annotated Anodyne CCOC(=O)[C@@H]1CCSCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587619181 HH Annotated Anodyne CCOC(=O)[C@@H]1CCSCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587619182 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C#N)c2c1 ZINC000587619257 HH Annotated Mild C[C@]1([C@@H]2Cc3ccccc3C(=O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619788 HH Annotated Anodyne C[C@]1([C@H]2Cc3ccccc3C(=O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619789 HH Annotated Anodyne C[C@]1([C@@H]2Cc3ccccc3C(=O)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619790 HH Annotated Anodyne C[C@]1([C@H]2Cc3ccccc3C(=O)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619791 HH Annotated Anodyne C[C@@]1(c2c(N)sc3c2CCOC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619961 HH Annotated Anodyne C[C@@]1(c2c(N)sc3c2CCOC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619963 HH Annotated Anodyne C[C@]1(c2c(N)sc3c2CCOC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619964 HH Annotated Anodyne C[C@]1(c2c(N)sc3c2CCOC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619965 HH Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1cscn1)CC2 ZINC000587620146 HH Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1cscn1)CC2 ZINC000587620147 HH Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC3)c(C#N)c2c1 ZINC000587620632 HH Annotated Mild CCc1c(CC#N)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620809 HH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(C#N)c2c1 ZINC000587621008 HH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCC#N)c2c1 ZINC000587621282 HH Annotated Mild CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)F ZINC000587621311 HH Annotated Anodyne Cn1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)n1 ZINC000587621400 HH Annotated Anodyne CCOC(=O)c1c(CBr)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621528 HH Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H](C)C#N)c(C)c2c1 ZINC000587621544 HH Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H](C)C#N)c(C)c2c1 ZINC000587621545 HH Annotated Mild CCCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C#N ZINC000587621621 HH Annotated Mild CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621867 HH Annotated Anodyne Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cn1 ZINC000587621885 HH Annotated Anodyne Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587622045 HH Annotated Anodyne Cn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)cn1 ZINC000587622087 HH Annotated Anodyne Cc1c(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)F)cnn1C ZINC000587622213 HH Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(F)cc1 ZINC000587622320 HH Annotated Anodyne O=CNc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC(=O)O ZINC000587622359 HH Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622363 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCC=O ZINC000587622376 HH Annotated Mild Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCOc1ccccc1C(N)=O ZINC000587622395 HH Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)F ZINC000587622418 HH Annotated Anodyne CC(C)(C)OC(=O)c1c(C[C@H](O)CC#N)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622463 HH Annotated Mild COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622539 HH Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(C#N)cc1 ZINC000587622713 HH Annotated Mild Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCN1C(=O)c2ccccc2C1=O ZINC000587622727 HH Annotated Anodyne CC(C)(C)OC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H](O)CC#N ZINC000587622861 HH Annotated Mild COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccccc1F ZINC000587623056 HH Annotated Anodyne O=C(O)Cc1c(-c2cc(F)ccc2O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623057 HH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC ZINC000587623107 HH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC ZINC000587623108 HH Annotated Anodyne CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623183 HH Annotated Anodyne C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623287 HH Annotated Anodyne C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623288 HH Annotated Anodyne C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623289 HH Annotated Anodyne C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623290 HH Annotated Anodyne CCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N2CCOCC2)cn1 ZINC000587623335 HH Annotated Anodyne Nc1c(-c2ncn(Cc3ccccc3)c2N)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623373 HH Annotated Anodyne CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623458 HH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN1C(=O)c2ccccc2C1=O ZINC000587623520 HH Annotated Anodyne COc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CC(=O)O)ccn1 ZINC000587623542 HH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000587623605 HH Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@H](NC(=O)OC(C)(C)C)C(=O)O ZINC000587623606 HH Annotated Anodyne CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623607 HH Annotated Anodyne COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623608 HH Annotated Anodyne COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623618 HH Annotated Anodyne COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623619 HH Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(C#N)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623688 HH Annotated Mild CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cccnc1 ZINC000587623825 HH Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccccn1 ZINC000587623958 HH Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623959 HH Annotated Anodyne NS(=O)(=O)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625335 HH Annotated Mild COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000587625707 HH Annotated Anodyne COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2c(C)cc(Cl)cc12 ZINC000587625828 HH Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(N3CCOCC3)cc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587627284 HH Annotated Clean COC(=O)c1nnn(-c2c(-c3ccccc3)[nH]c3c(C)cc(Cl)cc23)c1C(=O)OC ZINC000587627371 HH Annotated Anodyne COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000587627463 HH Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccn(C)n1 ZINC000587627582 HH Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627645 HH Annotated Anodyne COC(=O)C(=O)c1c(-c2ccn(C)n2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628141 HH Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)ON1C(=O)CCC1=O ZINC000587628308 HH Annotated Mild COC(=O)C(=O)c1c(-c2ccnn2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628427 HH Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cnn(C)c1 ZINC000587628611 HH Annotated Anodyne COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccnn1C ZINC000587628753 HH Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1N1C(=O)c2ccccc2C1=O ZINC000587631517 HH Annotated Anodyne CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)[nH]c2ccc(F)c(Cl)c12 ZINC000587631661 HH Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1N1C(=O)c2ccccc2C1=O ZINC000587631926 HH Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(N3CCOCC3)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587631947 HH Annotated Clean COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2ccc(F)c(Cl)c12 ZINC000587632281 HH Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000587632414 HH Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000587632598 HH Annotated Anodyne COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000587632645 HH Annotated Anodyne COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2cc(Cl)c(F)cc12 ZINC000587632992 HH Annotated Anodyne COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3cccc(F)c23)c1C(=O)OC ZINC000587634482 HH Annotated Anodyne COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3cc(F)ccc23)c1C(=O)OC ZINC000587634528 HH Annotated Anodyne O=C(O)c1cccc2c(CN3C(=O)c4ccccc4C3=O)c(CBr)[nH]c12 ZINC000587636670 HH Annotated Reactive COC(=O)[C@]1(Cc2c(C)[nH]c3cc(F)ccc23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587636680 HH Annotated Anodyne COC(=O)[C@@]1(Cc2c(C)[nH]c3cc(F)ccc23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587636681 HH Annotated Anodyne CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3cccc(F)c23)c1C ZINC000587636771 HH Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Br)cc1 ZINC000587636808 HH Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2cccc(F)c12 ZINC000587636888 HH Annotated Anodyne CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3cc(F)ccc23)c1C ZINC000587636910 HH Annotated Anodyne COC(=O)[C@]1(Cc2c(C)[nH]c3cccc(F)c23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587637010 HH Annotated Anodyne COC(=O)[C@@]1(Cc2c(C)[nH]c3cccc(F)c23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587637011 HH Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2cc(F)ccc12 ZINC000587637123 HH Annotated Anodyne CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C(=O)O)cccc12 ZINC000587638400 HH Annotated Anodyne CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C(=O)O)cccc12 ZINC000587638407 HH Annotated Anodyne CC(C)(C)c1[nH]c2c(C(=O)O)cccc2c1-n1nnn(-c2ccccc2Cl)c1=O ZINC000587638488 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1[nH]c2c(C(=O)O)cccc2c1CCCC1OCCO1 ZINC000587638815 HH Annotated Anodyne COC(=O)c1c(-c2cccc(I)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587638888 HH Annotated Anodyne COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C(=O)O)cccc12 ZINC000587638985 HH Annotated Anodyne COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2c(C(=O)O)cccc12 ZINC000587638986 HH Annotated Anodyne CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3c(C(=O)O)cccc23)n1 ZINC000587639062 HH Annotated Anodyne CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3c(C(=O)O)cccc23)n1 ZINC000587639084 HH Annotated Anodyne Nc1ccccc1-c1[nH]c2c(C(=O)O)cccc2c1CN1C(=O)c2ccccc2C1=O ZINC000587639471 HH Annotated Anodyne COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Br)cc1 ZINC000587643440 HH Annotated Bother O=[N+]([O-])c1ccc2c(N3CCNCC3)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587643509 HH Annotated Bother O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587643640 HH Annotated Reactive COC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587643880 HH Annotated Bother O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587643928 HH Annotated Reactive O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644306 HH Annotated Reactive O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Br)cc3)c(N3CCNCC3)c12 ZINC000587644336 HH Annotated Bother O=C1c2ccccc2C(=O)N1c1c(CBr)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644505 HH Annotated Reactive CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1-n1nnn(-c2ccccc2Cl)c1=O ZINC000587644879 HH Annotated Bother O=C1COc2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cccc([N+](=O)[O-])c34)cc2N1 ZINC000587645025 HH Annotated Bother CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1-n1nnn(-c2ccccc2Cl)c1=O ZINC000587645206 HH Annotated Bother O=C1COc2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cc([N+](=O)[O-])ccc34)cc2N1 ZINC000587645611 HH Annotated Bother CC(C)(C)OC(=O)NCc1[nH]c2cccc([N+](=O)[O-])c2c1CCCC1OCCO1 ZINC000587646753 HH Annotated Bother CC(C)(C)OC(=O)NCc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCC1OCCO1 ZINC000587646915 HH Annotated Bother COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cnn(-c2ccccc2)c1C ZINC000587646999 HH Annotated Bother COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647369 HH Annotated Bother COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647834 HH Annotated Bother CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648268 HH Annotated Bother CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648269 HH Annotated Bother Cc1cc(Br)ccc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1CC(=O)O ZINC000587648561 HH Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000587648670 HH Annotated Bother CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)F)c2c1 ZINC000587648780 HH Annotated Mild Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1N1C(=O)c2ccccc2N/C1=C\Cl ZINC000587648919 HH Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1N1C(=O)c2ccccc2N/C1=C/Cl ZINC000587648920 HH Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000587648972 HH Annotated Mild CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc4c(c3)OCO4)c2c1 ZINC000587649230 HH Annotated Anodyne Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1C(=O)c2ccccc2N/C1=C\N1CCOCC1 ZINC000587649332 HH Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1C(=O)c2ccccc2N/C1=C/N1CCOCC1 ZINC000587649333 HH Annotated Bother COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587649376 HH Annotated Bother COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587649377 HH Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1C(=O)c2ccccc2N/C1=C\N1CCOCC1 ZINC000587649474 HH Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1C(=O)c2ccccc2N/C1=C/N1CCOCC1 ZINC000587649475 HH Annotated Bother CC(C)(C)OC(=O)Nc1c(Cc2ccncc2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649641 HH Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(Cc3ccc(F)cc3)c(CCCC3OCCO3)c2c1 ZINC000587649871 HH Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 ZINC000587649958 HH Annotated Mild CS(=O)(=O)c1ccc2[nH]c(-c3ccc4c(c3)OCO4)c(C(=O)C(F)(F)F)c2c1 ZINC000587650096 HH Annotated Anodyne CC(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587650159 HH Annotated Bother COc1ccc(Br)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1C ZINC000587650740 HH Annotated Anodyne C[C@H](Oc1cccc(Br)c1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587650785 HH Annotated Anodyne C[C@@H](Oc1cccc(Br)c1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587650786 HH Annotated Anodyne Cc1cc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1Br ZINC000587650924 HH Annotated Anodyne Cc1nn(C[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Br ZINC000587650965 HH Annotated Anodyne Cc1nn(C[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Br ZINC000587650966 HH Annotated Anodyne CC[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1nc(C)c(Br)c1C ZINC000587651024 HH Annotated Anodyne CC[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1nc(C)c(Br)c1C ZINC000587651107 HH Annotated Anodyne O=C(CCn1nc(C(F)(F)F)cc1C1CC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651109 HH Annotated Anodyne Cc1nn(Cc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c(C)c1Cl ZINC000587651175 HH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000587651245 HH Annotated Anodyne O=C(COc1ccc(Br)cc1F)n1ncc2ccc(Cl)cc2c1=O ZINC000587651252 HH Annotated Anodyne O=C(c1[nH]c2ccccc2c1Br)n1ncc2ccc(Cl)cc2c1=O ZINC000587651292 HH Annotated Anodyne CCn1ncc(-c2cc(C(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)c1C ZINC000587651383 HH Annotated Anodyne Cc1nn([C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Br ZINC000587651470 HH Annotated Anodyne Cc1nn([C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Br ZINC000587651471 HH Annotated Anodyne O=C(c1ccnn1COc1ccccc1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587651493 HH Annotated Anodyne Cc1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(Br)c1 ZINC000587651535 HH Annotated Anodyne O=C(c1ccn(COc2cccc(Cl)c2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651559 HH Annotated Anodyne Cc1noc2nc(-c3ccco3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 ZINC000587651563 HH Annotated Anodyne Nc1c(Cl)c(Cl)nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1Cl ZINC000587651703 HH Annotated Anodyne O=C(c1cccc(OC(F)(F)C(F)F)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651706 HH Annotated Anodyne O=C(Cc1cn2cc(C(F)(F)F)ccc2n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651805 HH Annotated Anodyne Cn1nc(C(F)(F)F)c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)sc21 ZINC000587651824 HH Annotated Anodyne O=C(c1ccn(COc2ccc(Cl)cc2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651892 HH Annotated Anodyne CCN(CC)c1ccc2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c(=O)oc2c1 ZINC000587651916 HH Annotated Anodyne CCn1cc(-c2cc(C(F)(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)cn1 ZINC000587652021 HH Annotated Anodyne CCOc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc(OCC)c1OCC ZINC000587652070 HH Annotated Anodyne O=C(CNc1ncc(C(F)(F)F)cc1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587652074 HH Annotated Anodyne NNC(=O)CCCCCCCCCCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652110 HH Annotated Reactive O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000587652130 HH Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587652217 HH Annotated Bother Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(-n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587652236 HH Annotated Anodyne Cc1ccc(C)c(OCn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)c1 ZINC000587652761 HH Annotated Anodyne Cn1nc(C2CC2)c2c(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc(C3CC3)nc21 ZINC000587652898 HH Annotated Anodyne Nc1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(-c2ccc(Cl)cc2)s1 ZINC000587653068 HH Annotated Anodyne Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 ZINC000587653152 HH Annotated Anodyne Cc1cc(C)cc(OCn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)c1 ZINC000587653379 HH Annotated Anodyne O=C(c1cc(N2CCCCC2)ccc1[N+](=O)[O-])n1ncc2ccc(Cl)cc2c1=O ZINC000587653509 HH Annotated Bother CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CC1 ZINC000587653520 HH Annotated Anodyne Cc1nn(C)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1Cl ZINC000587653521 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CC1 ZINC000587653524 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654267 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654269 HH Annotated Anodyne Cc1c(Cl)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nn1C ZINC000587654560 HH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc(Br)cn1 ZINC000587654643 HH Annotated Anodyne CCCCCn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2ccccc2c1=O ZINC000587654991 HH Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nn1C(F)F ZINC000587655347 HH Annotated Anodyne O=C(c1cn2cc(F)ccc2n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655379 HH Annotated Anodyne CCn1cc(Cl)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587655432 HH Annotated Anodyne Cc1ccc(NC(=O)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587655451 HH Annotated Anodyne COCc1nc(Cl)cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587655455 HH Annotated Anodyne O=C(c1ccn(C(F)F)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655485 HH Annotated Anodyne O=C(Nc1ccc(F)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655504 HH Annotated Anodyne Nc1c(F)c(F)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1F ZINC000587655514 HH Annotated Anodyne N[C@@H](Cc1ccccc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655577 HH Annotated Anodyne O=C(c1ccc2c(c1)OCCO2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655654 HH Annotated Anodyne O=C(c1cc(C(F)(F)F)n[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655721 HH Annotated Anodyne CCOC(C)(OCC)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655822 HH Annotated Anodyne O=C(Cn1cc(Cl)cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655829 HH Annotated Anodyne Cc1nn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1Cl ZINC000587655839 HH Annotated Anodyne COc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(O)c1 ZINC000587655868 HH Annotated Anodyne O=C(c1ccccc1[N+](=O)[O-])n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655913 HH Annotated Bother O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(Cl)nc2[nH]cnc12 ZINC000587655996 HH Annotated Anodyne O=C(Nc1ccccc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656048 HH Annotated Anodyne O=C(c1cc(Br)c[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656061 HH Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n(C(F)F)n1 ZINC000587656063 HH Annotated Anodyne Nc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc([N+](=O)[O-])c1 ZINC000587656264 HH Annotated Bother O=C(c1ccnn1C(F)F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656385 HH Annotated Anodyne O=C(CCn1cc(Cl)cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656387 HH Annotated Anodyne O=C(c1ccc2c(c1)CCO2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656484 HH Annotated Anodyne CN(C)Cc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)o1 ZINC000587656509 HH Annotated Anodyne COc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1O ZINC000587656522 HH Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656604 HH Annotated Anodyne O=C(COc1ccccc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656627 HH Annotated Anodyne O=C(c1ccc2c(c1)OCO2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656633 HH Annotated Anodyne Cn1ccc(-c2ccnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)n1 ZINC000587656750 HH Annotated Anodyne Nc1cnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Br)c1 ZINC000587656934 HH Annotated Anodyne Cc1cc(C)n(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587657041 HH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(-n2cnnc2)cc1 ZINC000587657062 HH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(O)c2ccccc2n1 ZINC000587657070 HH Annotated Anodyne Cc1c(O)ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1O ZINC000587657103 HH Annotated Anodyne O=C([C@@H]1Cc2ccccc2O1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657120 HH Annotated Anodyne O=C([C@H]1Cc2ccccc2O1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657121 HH Annotated Anodyne Nc1cc(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1O ZINC000587657138 HH Annotated Anodyne O=C([C@@H]1COc2ccccc2O1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657144 HH Annotated Anodyne O=C([C@H]1COc2ccccc2O1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657145 HH Annotated Anodyne O=C(Nc1ccc(CCO)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657157 HH Annotated Anodyne CCN(CC)c1ccnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587657298 HH Annotated Anodyne O=C(NCCc1ccccn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657299 HH Annotated Anodyne CCOc1oc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1C ZINC000587657332 HH Annotated Anodyne O=C(c1cccc([N+](=O)[O-])c1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657470 HH Annotated Bother O=C(Cc1cn2ccsc2n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657496 HH Annotated Anodyne Cc1[nH]nc2ncc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc12 ZINC000587657661 HH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NCCc1ccccn1 ZINC000587657662 HH Annotated Anodyne Cc1nc2ccccn2c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657937 HH Annotated Anodyne O=C(c1n[nH]c2c1CCCC2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658015 HH Annotated Anodyne Cn1nc(C(F)(F)F)cc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658135 HH Annotated Anodyne O=C(c1ccc2nccn2c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658198 HH Annotated Anodyne Cc1cccc2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cn12 ZINC000587658258 HH Annotated Anodyne O=C(c1cc(-c2cc[nH]c2)[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658265 HH Annotated Anodyne NNC(=O)CCCCCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658317 HH Annotated Reactive Cc1cc(C(F)F)nn1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658342 HH Annotated Anodyne O=C(c1cn2cc(F)ccc2n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658349 HH Annotated Anodyne O=C(Nc1ccc(F)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658351 HH Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NCc1cccnc1 ZINC000587658383 HH Annotated Anodyne O=C(Cc1cn2ccccc2n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658395 HH Annotated Anodyne O=C(c1cc(-c2ccc[nH]2)[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658491 HH Annotated Anodyne COc1ccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cn1 ZINC000587658533 HH Annotated Anodyne O=C(c1cc(C(F)(F)F)n[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658605 HH Annotated Anodyne CS(=O)(=O)c1cc(F)ccc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658628 HH Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658633 HH Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658638 HH Annotated Anodyne Cc1ccn2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nc2c1 ZINC000587658754 HH Annotated Anodyne CS(=O)(=O)c1ccccc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658841 HH Annotated Anodyne CC(C)(C)C(=O)NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659000 HH Annotated Anodyne Cc1ccc(NC(=O)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587659088 HH Annotated Anodyne Cn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C(F)(F)F ZINC000587659096 HH Annotated Anodyne O=C(CCc1ccc(O)c(O)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659181 HH Annotated Clean CN(CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C(=O)OC(C)(C)C ZINC000587659672 HH Annotated Anodyne CC(C)(C)OC(=O)NCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659760 HH Annotated Anodyne O=C(Nc1ccc(CCO)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659830 HH Annotated Anodyne CN(C)c1cccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587659840 HH Annotated Anodyne COc1ccccc1NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659871 HH Annotated Anodyne O=C(O)c1ccc(NC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587659898 HH Annotated Anodyne O=C(c1nnc(O)c2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659940 HH Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587660007 HH Annotated Reactive CC(C)(C)OC(=O)N1CC(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1 ZINC000587660010 HH Annotated Anodyne COC(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(OC)c1 ZINC000587660133 HH Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc(OC)c1O ZINC000587660182 HH Annotated Anodyne O=C(c1cccc([N+](=O)[O-])c1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660490 HH Annotated Bother Cc1nn([C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587660551 HH Annotated Bother Cc1nn([C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587660561 HH Annotated Bother O=C(Cc1ccccc1[N+](=O)[O-])n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660627 HH Annotated Bother O=C(CNc1cccc([N+](=O)[O-])c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660657 HH Annotated Bother CC[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc([N+](=O)[O-])cn1 ZINC000587660705 HH Annotated Bother CC[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc([N+](=O)[O-])cn1 ZINC000587660706 HH Annotated Bother O=C(c1ccc2c(c1)OCCO2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660708 HH Annotated Anodyne COc1cccc(OC)c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660730 HH Annotated Anodyne CC(=O)Nc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587660743 HH Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NCCc1ccccn1 ZINC000587660882 HH Annotated Anodyne COc1ccc(NC(=S)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 ZINC000587660894 HH Annotated Anodyne O=C(COc1ccc([N+](=O)[O-])cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661016 HH Annotated Bother O=C(COc1ccccc1[N+](=O)[O-])n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661118 HH Annotated Bother O=C([C@@H]1COc2ccccc2O1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661228 HH Annotated Anodyne O=C([C@H]1COc2ccccc2O1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661229 HH Annotated Anodyne COc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(OC)c1 ZINC000587661255 HH Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CO)c(=O)c3ccccc23)c(O)c1 ZINC000587661389 HH Annotated Anodyne COc1ccc(OC)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587661518 HH Annotated Anodyne COc1ccccc1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661523 HH Annotated Anodyne COc1cccc(NCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587661553 HH Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587661588 HH Annotated Bother O=C(c1cc(-c2ccncc2)[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661594 HH Annotated Anodyne C[C@@H]1CN(C[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C[C@@H](C)O1 ZINC000587661615 HH Annotated Anodyne C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661617 HH Annotated Anodyne C[C@H]1CN(C[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C[C@@H](C)O1 ZINC000587661619 HH Annotated Anodyne C[C@H]1CN(C[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C[C@@H](C)O1 ZINC000587661620 HH Annotated Anodyne Cc1nn(C)cc1-c1ccnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587661939 HH Annotated Anodyne O=C(Cc1ccc(O)c([N+](=O)[O-])c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661941 HH Annotated Bother Cc1cc(C)n(-c2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nn2)n1 ZINC000587661997 HH Annotated Anodyne Cc1c(-c2ccnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cnn1C ZINC000587662005 HH Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nn2cnnc2c2ccccc12 ZINC000587662008 HH Annotated Anodyne Cn1c(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc2ccccc21 ZINC000587662020 HH Annotated Anodyne Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662089 HH Annotated Bother Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662091 HH Annotated Bother O=C(c1cc(-c2ccco2)[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662159 HH Annotated Anodyne O=C(Cc1cn2ccsc2n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662874 HH Annotated Anodyne Cc1nc2sccn2c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587663192 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccncc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664140 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccoc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664175 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(C)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587664244 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587664307 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NCC3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664604 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCCOC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664613 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCCOC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664630 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664671 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccco3)c(=O)c3ccccc23)c(O)c1 ZINC000587664681 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3coc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664689 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587664750 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccnc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664773 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)ncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665063 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665104 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccnc(O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665115 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ncoc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665179 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cncc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665473 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665491 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666029 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587666065 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(F)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666186 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666234 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCCCO)c(=O)c3ccccc23)c(O)c1 ZINC000587667629 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3OCC[C@@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667807 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587667900 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C3CCN(C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667945 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668085 HH Annotated Anodyne CCOc1ccc(-c2nn(-c3nccnc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668363 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)on3)c(=O)c3ccccc23)cc1OCC ZINC000587668441 HH Annotated Anodyne CCOc1ccc(-c2nn(-c3cncc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668474 HH Annotated Anodyne CCOc1ccc(-c2nn(Cc3cnccn3)c(=O)c3ccccc23)cc1OCC ZINC000587668532 HH Annotated Anodyne CCOc1ccc(-c2nn(Cc3ccnnc3)c(=O)c3ccccc23)cc1OCC ZINC000587668566 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccn3C)c(=O)c3ccccc23)cc1OCC ZINC000587668623 HH Annotated Anodyne CCNCCC(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587668696 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)NCC3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668855 HH Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(OC)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587668929 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3coc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668958 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCOC3)c(=O)c3ccccc23)cc1OCC ZINC000587668962 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCOC3)c(=O)c3ccccc23)cc1OCC ZINC000587668971 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c[nH]nc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668980 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cscn3)c(=O)c3ccccc23)c(O)c1 ZINC000587669136 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587669228 HH Annotated Anodyne CCOC(=O)[C@]1([C@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669290 HH Annotated Reactive CCOC(=O)[C@]1([C@@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669291 HH Annotated Reactive CCOC(=O)[C@]1([C@@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669292 HH Annotated Reactive CCOC(=O)[C@]1([C@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669293 HH Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc(C)no3)c(=O)c3ccccc23)cc1OCC ZINC000587669331 HH Annotated Anodyne C=C(C)CNC(=S)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587669352 HH Annotated Mild CCOc1ccc(-c2nn(C(=O)c3cocn3)c(=O)c3ccccc23)cc1OCC ZINC000587669400 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccn3)c(=O)c3ccccc23)cc1OCC ZINC000587669440 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCCO3)c(=O)c3ccccc23)cc1OCC ZINC000587669468 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCCO3)c(=O)c3ccccc23)cc1OCC ZINC000587669470 HH Annotated Anodyne CCOC(=O)[C@]1([C@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669609 HH Annotated Reactive CCOC(=O)[C@]1([C@@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669610 HH Annotated Reactive CCOC(=O)[C@]1([C@@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669612 HH Annotated Reactive CCOC(=O)[C@]1([C@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587669614 HH Annotated Reactive CCCNC(=S)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587669616 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCCOC3)c(=O)c3ccccc23)cc1OCC ZINC000587669863 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCCOC3)c(=O)c3ccccc23)cc1OCC ZINC000587669868 HH Annotated Anodyne CCOc1ccc(-c2nn(Cc3cccnn3)c(=O)c3ccccc23)cc1OCC ZINC000587669898 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ncoc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669910 HH Annotated Anodyne C=CCNC(=S)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587669920 HH Annotated Mild CCN(CC)c1ccc(-c2nn(-c3nnc(C)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669924 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NC3CCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587669962 HH Annotated Anodyne CCOc1ccc(-c2nn(-c3ccnc(O)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670018 HH Annotated Anodyne CCOc1ccc(-c2nn(Cc3cncnc3)c(=O)c3ccccc23)cc1OCC ZINC000587670047 HH Annotated Anodyne C=CCNC(=S)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587670123 HH Annotated Mild CCOc1ccc(-c2nn(C(=S)NC3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587670171 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3[nH]cnc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670259 HH Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)ncn3)c(=O)c3ccccc23)cc1OCC ZINC000587670345 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnco3)c(=O)c3ccccc23)cc1OCC ZINC000587670355 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccon3)c(=O)c3ccccc23)cc1OCC ZINC000587670358 HH Annotated Anodyne CCOc1ccc(-c2nn(Cc3ncccn3)c(=O)c3ccccc23)cc1OCC ZINC000587670361 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3CCOCC3)c(=O)c3ccccc23)cc1OCC ZINC000587670368 HH Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587670383 HH Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C)cc(O)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670403 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccncc3)c(=O)c3ccccc23)cc1OCC ZINC000587670445 HH Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cncs3)c(=O)c3ccccc23)c(O)c1 ZINC000587670595 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587670923 HH Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587670934 HH Annotated Anodyne CCCNC(=S)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587671492 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cncnc2)N1 ZINC000587671686 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cncnc2)N1 ZINC000587671691 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cncnc2)N1 ZINC000587671692 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cncnc2)N1 ZINC000587671694 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccncn2)N1 ZINC000587671724 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccncn2)N1 ZINC000587671725 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccncn2)N1 ZINC000587671726 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccncn2)N1 ZINC000587671728 HH Annotated Reactive CCOc1ccc(-c2nn(C(=O)COC(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587671769 HH Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(F)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587671776 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccncn2)N1 ZINC000587672215 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccncn2)N1 ZINC000587672216 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccncn2)N1 ZINC000587672217 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccncn2)N1 ZINC000587672218 HH Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@@H]3OCC[C@@H]3C)c(=O)c3ccccc23)cc1OCC ZINC000587672310 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@H]2CCOC2)N1 ZINC000587672376 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@@H]2CCOC2)N1 ZINC000587672378 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@H]2CCOC2)N1 ZINC000587672379 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@@H]2CCOC2)N1 ZINC000587672381 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@H]2CCOC2)N1 ZINC000587672732 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@@H]2CCOC2)N1 ZINC000587672733 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@H]2CCOC2)N1 ZINC000587672763 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@@H]2CCOC2)N1 ZINC000587672764 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cnccn2)N1 ZINC000587672825 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cnccn2)N1 ZINC000587672826 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cnccn2)N1 ZINC000587672827 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cnccn2)N1 ZINC000587672828 HH Annotated Reactive CCOC(=O)C[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673107 HH Annotated Reactive CCOC(=O)C[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673108 HH Annotated Reactive CCOC(=O)C[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673109 HH Annotated Reactive CCOC(=O)C[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673110 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cnccn2)N1 ZINC000587673561 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cnccn2)N1 ZINC000587673562 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cnccn2)N1 ZINC000587673565 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cnccn2)N1 ZINC000587673568 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cncnc2)N1 ZINC000587673571 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cncnc2)N1 ZINC000587673573 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cncnc2)N1 ZINC000587673576 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cncnc2)N1 ZINC000587673578 HH Annotated Reactive CCOC(=O)C[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674179 HH Annotated Reactive CCOC(=O)C[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674180 HH Annotated Reactive CCOC(=O)C[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674181 HH Annotated Reactive CCOC(=O)C[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674182 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncncc2Br)N1 ZINC000587675910 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncncc2Br)N1 ZINC000587675911 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncncc2Br)N1 ZINC000587675912 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncncc2Br)N1 ZINC000587675913 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Br)cnn2C)N1 ZINC000587676881 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Br)cnn2C)N1 ZINC000587676882 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Br)cnn2C)N1 ZINC000587676883 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Br)cnn2C)N1 ZINC000587676884 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](Br)C2=O)N1 ZINC000587677526 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](Br)C2=O)N1 ZINC000587677530 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](Br)C2=O)N1 ZINC000587677531 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](Br)C2=O)N1 ZINC000587677532 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(C)cc2Br)N1 ZINC000587677756 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(C)cc2Br)N1 ZINC000587677760 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(C)cc2Br)N1 ZINC000587677761 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(C)cc2Br)N1 ZINC000587677764 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2N)N1 ZINC000587678356 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2N)N1 ZINC000587678358 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2N)N1 ZINC000587678359 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2N)N1 ZINC000587678361 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Br)cn2)N1 ZINC000587678880 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Br)cn2)N1 ZINC000587678883 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Br)cn2)N1 ZINC000587678885 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Br)cn2)N1 ZINC000587678888 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)n2C)N1 ZINC000587679007 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)n2C)N1 ZINC000587679009 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)n2C)N1 ZINC000587679011 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)n2C)N1 ZINC000587679012 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ncn2C)N1 ZINC000587679067 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ncn2C)N1 ZINC000587679072 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ncn2C)N1 ZINC000587679074 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ncn2C)N1 ZINC000587679077 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cnc2N)N1 ZINC000587679443 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cnc2N)N1 ZINC000587679448 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cnc2N)N1 ZINC000587679451 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cnc2N)N1 ZINC000587679455 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)CCC[C@@H]2Br ZINC000587679575 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)CCC[C@H]2Br ZINC000587679578 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)CCC[C@H]2Br ZINC000587679580 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)CCC[C@@H]2Br ZINC000587679581 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncncc2Br)N1 ZINC000587680296 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncncc2Br)N1 ZINC000587680298 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncncc2Br)N1 ZINC000587680300 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncncc2Br)N1 ZINC000587680302 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Br)cnn2C)N1 ZINC000587680767 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Br)cnn2C)N1 ZINC000587680769 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Br)cnn2C)N1 ZINC000587680770 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Br)cnn2C)N1 ZINC000587680772 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](Br)C2=O)N1 ZINC000587681316 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](Br)C2=O)N1 ZINC000587681319 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](Br)C2=O)N1 ZINC000587681322 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](Br)C2=O)N1 ZINC000587681325 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(C)cc2Br)N1 ZINC000587681671 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(C)cc2Br)N1 ZINC000587681673 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(C)cc2Br)N1 ZINC000587681675 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(C)cc2Br)N1 ZINC000587681677 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3c2nc(CCl)cc3=O)N1 ZINC000587681708 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3c2nc(CCl)cc3=O)N1 ZINC000587681709 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3c2nc(CCl)cc3=O)N1 ZINC000587681710 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3c2nc(CCl)cc3=O)N1 ZINC000587681711 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cnn2C)N1 ZINC000587681953 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cnn2C)N1 ZINC000587681956 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cnn2C)N1 ZINC000587681959 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cnn2C)N1 ZINC000587681961 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Br)c2N)N1 ZINC000587682047 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(Br)c2N)N1 ZINC000587682049 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Br)c2N)N1 ZINC000587682051 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(Br)c2N)N1 ZINC000587682052 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cnn2C)N1 ZINC000587682128 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cnn2C)N1 ZINC000587682130 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cnn2C)N1 ZINC000587682131 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cnn2C)N1 ZINC000587682132 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3c2nc(CCl)cc3=O)N1 ZINC000587682136 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3c2nc(CCl)cc3=O)N1 ZINC000587682137 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3c2nc(CCl)cc3=O)N1 ZINC000587682138 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3c2nc(CCl)cc3=O)N1 ZINC000587682139 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cnc2N)N1 ZINC000587682402 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cnc2N)N1 ZINC000587682403 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cnc2N)N1 ZINC000587682404 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cnc2N)N1 ZINC000587682405 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)CCC[C@H]2Br ZINC000587682712 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)CCC[C@@H]2Br ZINC000587682714 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)CCC[C@@H]2Br ZINC000587682717 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)CCC[C@H]2Br ZINC000587682719 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Br)cn2)N1 ZINC000587682888 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Br)cn2)N1 ZINC000587682890 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Br)cn2)N1 ZINC000587682891 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Br)cn2)N1 ZINC000587682893 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cn2)N1 ZINC000587682904 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cn2)N1 ZINC000587682916 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cn2)N1 ZINC000587682918 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cn2)N1 ZINC000587682921 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cc(Br)cn2)N1 ZINC000587682932 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cc(Br)cn2)N1 ZINC000587682935 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cc(Br)cn2)N1 ZINC000587682937 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cc(Br)cn2)N1 ZINC000587682939 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2N)N1 ZINC000587682967 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2N)N1 ZINC000587682969 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2N)N1 ZINC000587682971 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2N)N1 ZINC000587682974 HH Annotated Anodyne CC(C)[C@@H](NC(=O)CCl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683018 HH Annotated Reactive CC(C)[C@H](NC(=O)CCl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683039 HH Annotated Reactive CC(C)[C@@H](NC(=O)CCl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683113 HH Annotated Reactive CC(C)[C@H](NC(=O)CCl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683116 HH Annotated Reactive CC(C)[C@@H](NC(=O)CCl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683139 HH Annotated Reactive CC(C)[C@H](NC(=O)CCl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683141 HH Annotated Reactive CC(C)[C@@H](NC(=O)CCl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683143 HH Annotated Reactive CC(C)[C@H](NC(=O)CCl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683146 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)nn2C)N1 ZINC000587683155 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)nn2C)N1 ZINC000587683157 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)nn2C)N1 ZINC000587683160 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)nn2C)N1 ZINC000587683162 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N)c(Br)c2)N1 ZINC000587683736 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N)c(Br)c2)N1 ZINC000587683737 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N)c(Br)c2)N1 ZINC000587683739 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N)c(Br)c2)N1 ZINC000587683740 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ncn2C)N1 ZINC000587683890 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ncn2C)N1 ZINC000587683892 HH Annotated Anodyne COC(=O)c1coc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587683893 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ncn2C)N1 ZINC000587683894 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ncn2C)N1 ZINC000587683896 HH Annotated Anodyne COC(=O)c1coc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587683902 HH Annotated Reactive COC(=O)c1coc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587683903 HH Annotated Reactive COC(=O)c1coc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587683904 HH Annotated Reactive COC1=CN(C)C(CCl)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587684084 HH Annotated Reactive COC1=CN(C)C(CCl)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587684085 HH Annotated Reactive COC1=CN(C)C(CCl)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587684086 HH Annotated Reactive COC1=CN(C)C(CCl)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587684087 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N)c(Br)c2)N1 ZINC000587684237 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N)c(Br)c2)N1 ZINC000587684239 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N)c(Br)c2)N1 ZINC000587684241 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N)c(Br)c2)N1 ZINC000587684243 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cc(Br)cn2)N1 ZINC000587684286 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cc(Br)cn2)N1 ZINC000587684288 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cc(Br)cn2)N1 ZINC000587684290 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cc(Br)cn2)N1 ZINC000587684292 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)n2C)N1 ZINC000587684421 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)n2C)N1 ZINC000587684423 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)n2C)N1 ZINC000587684425 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)n2C)N1 ZINC000587684426 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(=O)O)co2)N1 ZINC000587684564 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(=O)O)co2)N1 ZINC000587684565 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(=O)O)co2)N1 ZINC000587684566 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(=O)O)co2)N1 ZINC000587684567 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cn2)N1 ZINC000587684792 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cn2)N1 ZINC000587684793 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cn2)N1 ZINC000587684794 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cn2)N1 ZINC000587684795 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 ZINC000587684916 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 ZINC000587684923 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 ZINC000587684925 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 ZINC000587684927 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Br)c2N)N1 ZINC000587684928 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(Br)c2N)N1 ZINC000587684930 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Br)c2N)N1 ZINC000587684932 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(Br)c2N)N1 ZINC000587684933 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(=O)O)co2)N1 ZINC000587685152 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(=O)O)co2)N1 ZINC000587685155 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(=O)O)co2)N1 ZINC000587685156 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(=O)O)co2)N1 ZINC000587685159 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@H]2Br)N1 ZINC000587685323 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@H]2Br)N1 ZINC000587685326 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@@H]2Br)N1 ZINC000587685328 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@@H]2Br)N1 ZINC000587685330 HH Annotated Reactive COC(=O)c1coc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587685436 HH Annotated Reactive COC(=O)c1coc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587685439 HH Annotated Reactive COC(=O)c1coc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587685442 HH Annotated Reactive COC(=O)c1coc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587685443 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)n2C)N1 ZINC000587685564 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)n2C)N1 ZINC000587685566 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)n2C)N1 ZINC000587685567 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)n2C)N1 ZINC000587685569 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)n2C)N1 ZINC000587685921 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)n2C)N1 ZINC000587685924 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)n2C)N1 ZINC000587685926 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)n2C)N1 ZINC000587685929 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 ZINC000587686141 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 ZINC000587686145 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 ZINC000587686148 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc([N+](=O)[O-])c[nH]2)N1 ZINC000587686152 HH Annotated Reactive COC1=CN(C)C(CCl)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587686418 HH Annotated Reactive COC1=CN(C)C(CCl)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587686419 HH Annotated Reactive COC1=CN(C)C(CCl)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587686420 HH Annotated Reactive COC1=CN(C)C(CCl)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587686421 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)nn2C)N1 ZINC000587687154 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)nn2C)N1 ZINC000587687155 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)nn2C)N1 ZINC000587687156 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)nn2C)N1 ZINC000587687157 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@H]2Br)N1 ZINC000587687174 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@H]2Br)N1 ZINC000587687175 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@@H]2Br)N1 ZINC000587687176 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@@H]2Br)N1 ZINC000587687177 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)nc2)N1 ZINC000587687245 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)nc2)N1 ZINC000587687246 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(Br)nc2)N1 ZINC000587687248 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(Br)nc2)N1 ZINC000587687249 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)nc2)N1 ZINC000587687599 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)nc2)N1 ZINC000587687601 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(Br)nc2)N1 ZINC000587687603 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(Br)nc2)N1 ZINC000587687604 HH Annotated Anodyne Cc1oc(C(N)=O)cc1[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687760 HH Annotated Reactive Cc1oc(C(N)=O)cc1[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687761 HH Annotated Reactive Cc1oc(C(N)=O)cc1[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687762 HH Annotated Reactive Cc1oc(C(N)=O)cc1[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687763 HH Annotated Reactive Cc1oc(C(N)=O)cc1[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689341 HH Annotated Reactive Cc1oc(C(N)=O)cc1[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689342 HH Annotated Reactive Cc1oc(C(N)=O)cc1[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689343 HH Annotated Reactive Cc1oc(C(N)=O)cc1[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689344 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 ZINC000587696417 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 ZINC000587696420 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 ZINC000587696424 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 ZINC000587696427 HH Annotated Anodyne CCO/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)NC ZINC000587701407 HH Annotated Anodyne CCO/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC ZINC000587701412 HH Annotated Anodyne CCO/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC ZINC000587701414 HH Annotated Anodyne CCO/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)NC ZINC000587701416 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=C(N)C(=O)c1ccccc12 ZINC000587701967 HH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=C(N)C(=O)c1ccccc12 ZINC000587702002 HH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=C(N)C(=O)c1ccccc12 ZINC000587702008 HH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=C(N)C(=O)c1ccccc12 ZINC000587702013 HH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 ZINC000587702797 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 ZINC000587702799 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 ZINC000587702800 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1ccc(Cl)cc12 ZINC000587702801 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc3ccccn3c2=O)N1 ZINC000587703175 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc3ccccn3c2=O)N1 ZINC000587703193 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc3ccccn3c2=O)N1 ZINC000587703194 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc3ccccn3c2=O)N1 ZINC000587703195 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(N)=C(Cl)C(=O)c1ccccc12 ZINC000587703280 HH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(N)=C(Cl)C(=O)c1ccccc12 ZINC000587703283 HH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(N)=C(Cl)C(=O)c1ccccc12 ZINC000587703286 HH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(N)=C(Cl)C(=O)c1ccccc12 ZINC000587703294 HH Annotated Mild CCOC(=O)[C@H](F)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703918 HH Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703920 HH Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703922 HH Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703924 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=C(N)C(=O)c1ccccc12 ZINC000587704195 HH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=C(N)C(=O)c1ccccc12 ZINC000587704196 HH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=C(N)C(=O)c1ccccc12 ZINC000587704197 HH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=C(N)C(=O)c1ccccc12 ZINC000587704198 HH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc3ccccn3c2=O)N1 ZINC000587704581 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc3ccccn3c2=O)N1 ZINC000587704582 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc3ccccn3c2=O)N1 ZINC000587704583 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc3ccccn3c2=O)N1 ZINC000587704584 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnccn2)(C(F)(F)F)N1 ZINC000587705476 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnccn2)(C(F)(F)F)N1 ZINC000587705483 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnccn2)(C(F)(F)F)N1 ZINC000587705485 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnccn2)(C(F)(F)F)N1 ZINC000587705487 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnccn2)(C(F)(F)F)N1 ZINC000587706795 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnccn2)(C(F)(F)F)N1 ZINC000587706796 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnccn2)(C(F)(F)F)N1 ZINC000587706797 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnccn2)(C(F)(F)F)N1 ZINC000587706798 HH Annotated Anodyne Cc1c([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587706996 HH Annotated Anodyne Cc1c([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587706997 HH Annotated Anodyne Cc1c([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587706998 HH Annotated Anodyne Cc1c([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587706999 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnn(C)c2)(C(F)(F)F)N1 ZINC000587707048 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnn(C)c2)(C(F)(F)F)N1 ZINC000587707049 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2cnn(C)c2)(C(F)(F)F)N1 ZINC000587707050 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2cnn(C)c2)(C(F)(F)F)N1 ZINC000587707051 HH Annotated Anodyne Cc1c([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587707348 HH Annotated Anodyne Cc1c([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587707349 HH Annotated Anodyne Cc1c([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587707350 HH Annotated Anodyne Cc1c([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587707351 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(N)=C(Cl)C(=O)c1ccccc12 ZINC000587707450 HH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(N)=C(Cl)C(=O)c1ccccc12 ZINC000587707451 HH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(N)=C(Cl)C(=O)c1ccccc12 ZINC000587707452 HH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(N)=C(Cl)C(=O)c1ccccc12 ZINC000587707453 HH Annotated Mild CCO/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)NC ZINC000587707837 HH Annotated Anodyne CCO/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC ZINC000587707838 HH Annotated Anodyne CCO/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC ZINC000587707839 HH Annotated Anodyne CCO/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)NC ZINC000587707840 HH Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707922 HH Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707923 HH Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707925 HH Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707927 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnn(C)c2)(C(F)(F)F)N1 ZINC000587708163 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnn(C)c2)(C(F)(F)F)N1 ZINC000587708165 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2cnn(C)c2)(C(F)(F)F)N1 ZINC000587708166 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2cnn(C)c2)(C(F)(F)F)N1 ZINC000587708168 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]ccc2=N)(C(F)(F)F)N1 ZINC000587708884 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]ccc2=N)(C(F)(F)F)N1 ZINC000587708885 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]ccc2=N)(C(F)(F)F)N1 ZINC000587708886 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]ccc2=N)(C(F)(F)F)N1 ZINC000587708887 HH Annotated Anodyne Cc1nn(C)cc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709210 HH Annotated Anodyne Cc1nn(C)cc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709211 HH Annotated Anodyne Cc1nn(C)cc1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709212 HH Annotated Anodyne Cc1nn(C)cc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709213 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709392 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709393 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]ccc2=N)(C(F)(F)F)N1 ZINC000587709717 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]ccc2=N)(C(F)(F)F)N1 ZINC000587709722 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]ccc2=N)(C(F)(F)F)N1 ZINC000587709726 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]ccc2=N)(C(F)(F)F)N1 ZINC000587709727 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587710381 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587710382 HH Annotated Anodyne Cc1nn(C)cc1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711996 HH Annotated Anodyne Cc1nn(C)cc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711997 HH Annotated Anodyne Cc1nn(C)cc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711998 HH Annotated Anodyne Cc1nn(C)cc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711999 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cc(F)ccc2F)N1 ZINC000587714912 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cc(F)ccc2F)N1 ZINC000587714915 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cc(F)ccc2F)N1 ZINC000587714917 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cc(F)ccc2F)N1 ZINC000587714919 HH Annotated Anodyne COC(=O)C[C@]1(C2CC(F)(F)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715535 HH Annotated Anodyne COC(=O)C[C@]1(C2CC(F)(F)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715541 HH Annotated Anodyne COC(=O)C[C@@]1(C2CC(F)(F)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715544 HH Annotated Anodyne COC(=O)C[C@@]1(C2CC(F)(F)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715546 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccn(C)n2)(C(F)F)N1 ZINC000587715601 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccn(C)n2)(C(F)F)N1 ZINC000587715608 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccn(C)n2)(C(F)F)N1 ZINC000587715609 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccn(C)n2)(C(F)F)N1 ZINC000587715611 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cnn(C)c2)(C(F)F)N1 ZINC000587716769 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cnn(C)c2)(C(F)F)N1 ZINC000587716773 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cnn(C)c2)(C(F)F)N1 ZINC000587716775 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cnn(C)c2)(C(F)F)N1 ZINC000587716781 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718022 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718027 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718034 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718040 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 ZINC000587719184 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 ZINC000587719226 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 ZINC000587719229 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 ZINC000587719232 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2O)N1 ZINC000587719596 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2O)N1 ZINC000587719604 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2O)N1 ZINC000587719606 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2O)N1 ZINC000587719608 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 ZINC000587720483 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 ZINC000587720485 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 ZINC000587720488 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(S(C)(=O)=O)c2)N1 ZINC000587720491 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cnn(C)c2)(C(F)F)N1 ZINC000587720840 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cnn(C)c2)(C(F)F)N1 ZINC000587720841 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cnn(C)c2)(C(F)F)N1 ZINC000587720842 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cnn(C)c2)(C(F)F)N1 ZINC000587720843 HH Annotated Anodyne COC(=O)C[C@]1(C2CC(F)(F)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721660 HH Annotated Anodyne COC(=O)C[C@]1(C2CC(F)(F)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721661 HH Annotated Anodyne COC(=O)C[C@@]1(C2CC(F)(F)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721663 HH Annotated Anodyne COC(=O)C[C@@]1(C2CC(F)(F)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721664 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cc(F)ccc2F)N1 ZINC000587722252 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cc(F)ccc2F)N1 ZINC000587722254 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cc(F)ccc2F)N1 ZINC000587722255 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cc(F)ccc2F)N1 ZINC000587722256 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722806 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722807 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722808 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722810 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccn(C)n2)(C(F)F)N1 ZINC000587723036 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccn(C)n2)(C(F)F)N1 ZINC000587723037 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccn(C)n2)(C(F)F)N1 ZINC000587723038 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccn(C)n2)(C(F)F)N1 ZINC000587723039 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2O)N1 ZINC000587723080 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2O)N1 ZINC000587723081 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2O)N1 ZINC000587723082 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2O)N1 ZINC000587723083 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587723988 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587723989 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587723990 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587723991 HH Annotated Anodyne COC(=O)[C@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724308 HH Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724309 HH Annotated Anodyne COC(=O)[C@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724310 HH Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724311 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2F)N1 ZINC000587724428 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2F)N1 ZINC000587724429 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2F)N1 ZINC000587724430 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2F)N1 ZINC000587724431 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587724468 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587724469 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587724470 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587724471 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587725320 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587725321 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587725322 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)c(F)c2)N1 ZINC000587725323 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587726056 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587726058 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587726059 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587726061 HH Annotated Anodyne COC(=O)[C@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726082 HH Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726083 HH Annotated Anodyne COC(=O)[C@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726084 HH Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726085 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 ZINC000587727026 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 ZINC000587727027 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 ZINC000587727028 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 ZINC000587727029 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 ZINC000587727402 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 ZINC000587727403 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 ZINC000587727404 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 ZINC000587727405 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccc(F)cc12 ZINC000587728643 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccc(F)cc12 ZINC000587728650 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccc(F)cc12 ZINC000587728654 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccc(F)cc12 ZINC000587728658 HH Annotated Reactive CCOC(=O)[C@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729556 HH Annotated Mild CCOC(=O)[C@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729559 HH Annotated Mild CCOC(=O)[C@@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729560 HH Annotated Mild CCOC(=O)[C@@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729563 HH Annotated Mild COC(=O)C[C@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730029 HH Annotated Mild COC(=O)C[C@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730032 HH Annotated Mild COC(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730035 HH Annotated Mild COC(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730038 HH Annotated Mild CCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc21 ZINC000587730420 HH Annotated Anodyne CCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc21 ZINC000587730424 HH Annotated Anodyne CCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc21 ZINC000587730428 HH Annotated Anodyne CCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)ccc21 ZINC000587730432 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 ZINC000587730555 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 ZINC000587730556 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 ZINC000587730558 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 ZINC000587730561 HH Annotated Anodyne CCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc21 ZINC000587731191 HH Annotated Anodyne CCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc21 ZINC000587731192 HH Annotated Anodyne CCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc21 ZINC000587731194 HH Annotated Anodyne CCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)ccc21 ZINC000587731196 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2nc[nH]n2)N1 ZINC000587732270 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2nc[nH]n2)N1 ZINC000587732271 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2nc[nH]n2)N1 ZINC000587732272 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2nc[nH]n2)N1 ZINC000587732273 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732734 HH Annotated Mild CCOC(=O)[C@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732735 HH Annotated Mild CCOC(=O)[C@@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732736 HH Annotated Mild CCOC(=O)[C@@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732737 HH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccc(F)cc12 ZINC000587734312 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1ccc(F)cc12 ZINC000587734313 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccc(F)cc12 ZINC000587734314 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1ccc(F)cc12 ZINC000587734315 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1cc(F)ccc12 ZINC000587734358 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1cc(F)ccc12 ZINC000587734360 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1cc(F)ccc12 ZINC000587734361 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1cc(F)ccc12 ZINC000587734362 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(F)cc3)n2)N1 ZINC000587734446 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(F)cc3)n2)N1 ZINC000587734447 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccc(F)cc3)n2)N1 ZINC000587734449 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccc(F)cc3)n2)N1 ZINC000587734451 HH Annotated Anodyne COc1ccc(F)cc1[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734736 HH Annotated Anodyne COc1ccc(F)cc1[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734746 HH Annotated Anodyne COc1ccc(F)cc1[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734748 HH Annotated Anodyne COc1ccc(F)cc1[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587734750 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 ZINC000587734849 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 ZINC000587734850 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 ZINC000587734851 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=COc1ccc(F)cc12 ZINC000587734852 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2S(C)(=O)=O)N1 ZINC000587735171 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2S(C)(=O)=O)N1 ZINC000587735172 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2S(C)(=O)=O)N1 ZINC000587735173 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2S(C)(=O)=O)N1 ZINC000587735174 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cnn[nH]2)N1 ZINC000587735511 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cnn[nH]2)N1 ZINC000587735512 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cnn[nH]2)N1 ZINC000587735513 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cnn[nH]2)N1 ZINC000587735514 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735737 HH Annotated Mild COC(=O)C[C@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735738 HH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 ZINC000587735799 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 ZINC000587735800 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 ZINC000587735802 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3cc(F)ccc32)N1 ZINC000587735805 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735970 HH Annotated Mild COC(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735972 HH Annotated Mild COc1ccc(F)cc1[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736056 HH Annotated Anodyne COc1ccc(F)cc1[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736058 HH Annotated Anodyne COc1ccc(F)cc1[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736061 HH Annotated Anodyne COc1ccc(F)cc1[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587736064 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2S(C)(=O)=O)N1 ZINC000587736341 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2S(C)(=O)=O)N1 ZINC000587736343 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2S(C)(=O)=O)N1 ZINC000587736345 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2S(C)(=O)=O)N1 ZINC000587736347 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 ZINC000587736476 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 ZINC000587736478 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 ZINC000587736480 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3ccc(F)cc32)N1 ZINC000587736482 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(F)cc3)n2)N1 ZINC000587736581 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(F)cc3)n2)N1 ZINC000587736585 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccc(F)cc3)n2)N1 ZINC000587736587 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccc(F)cc3)n2)N1 ZINC000587736590 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cnn[nH]2)N1 ZINC000587736620 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cnn[nH]2)N1 ZINC000587736621 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cnn[nH]2)N1 ZINC000587736622 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cnn[nH]2)N1 ZINC000587736623 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2nc[nH]n2)N1 ZINC000587736998 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2nc[nH]n2)N1 ZINC000587736999 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2nc[nH]n2)N1 ZINC000587737000 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2nc[nH]n2)N1 ZINC000587737001 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1cc(F)ccc12 ZINC000587737111 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1cc(F)ccc12 ZINC000587737115 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1cc(F)ccc12 ZINC000587737119 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1cc(F)ccc12 ZINC000587737122 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C[C@H]2F)N1 ZINC000587737239 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2F)N1 ZINC000587737243 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2F)N1 ZINC000587737245 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@H]2F)N1 ZINC000587737247 HH Annotated Anodyne C/C(=C\[C@@]1(c2cnccn2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C ZINC000587738776 HH Annotated Anodyne C/C(=C\[C@@]1(c2cnccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C ZINC000587738777 HH Annotated Anodyne C/C(=C\[C@]1(c2cnccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N(C)C ZINC000587738778 HH Annotated Anodyne C/C(=C\[C@]1(c2cnccn2)N[C@H](C)Cc2cc(Br)c(F)cc21)N(C)C ZINC000587738779 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2F)N1 ZINC000587739092 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@H]2F)N1 ZINC000587739093 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C[C@H]2F)N1 ZINC000587739094 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2F)N1 ZINC000587739095 HH Annotated Anodyne COCCN(C)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587739164 HH Annotated Anodyne COCCN(C)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587739165 HH Annotated Anodyne COCCN(C)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587739166 HH Annotated Anodyne COCCN(C)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587739167 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)N(C)C)N1 ZINC000587739407 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC(=O)N(C)C)N1 ZINC000587739410 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)N(C)C)N1 ZINC000587739411 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC(=O)N(C)C)N1 ZINC000587739413 HH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(CN(C)C)c1O ZINC000587739919 HH Annotated Clean COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(CN(C)C)c1O ZINC000587739920 HH Annotated Clean COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(CN(C)C)c1O ZINC000587739921 HH Annotated Clean COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(CN(C)C)c1O ZINC000587739922 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN(C)C)c2O)N1 ZINC000587740444 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN(C)C)c2O)N1 ZINC000587740448 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN(C)C)c2O)N1 ZINC000587740450 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN(C)C)c2O)N1 ZINC000587740452 HH Annotated Clean COc1ccc(N)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587740463 HH Annotated Anodyne COc1ccc(N)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587740464 HH Annotated Anodyne COc1ccc(N)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587740465 HH Annotated Anodyne COc1ccc(N)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587740466 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN(C)C)c2O)N1 ZINC000587741062 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN(C)C)c2O)N1 ZINC000587741065 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN(C)C)c2O)N1 ZINC000587741068 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN(C)C)c2O)N1 ZINC000587741070 HH Annotated Clean COCCN(C)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587741625 HH Annotated Anodyne COCCN(C)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587741626 HH Annotated Anodyne COCCN(C)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587741627 HH Annotated Anodyne COCCN(C)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587741628 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(NC[C@@H]3CCCO3)nc2)N1 ZINC000587741640 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(NC[C@H]3CCCO3)nc2)N1 ZINC000587741648 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(NC[C@@H]3CCCO3)nc2)N1 ZINC000587741651 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(NC[C@H]3CCCO3)nc2)N1 ZINC000587741654 HH Annotated Anodyne CNC(=C[C@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC ZINC000587741791 HH Annotated Anodyne CNC(=C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC ZINC000587741803 HH Annotated Anodyne CNC(=C[C@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21)NC ZINC000587741809 HH Annotated Anodyne CNC(=C[C@@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21)NC ZINC000587741812 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587742390 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587742391 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587742392 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587742394 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587742439 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587742440 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587742442 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCC(=O)N(C)C)c2)N1 ZINC000587742444 HH Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742616 HH Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742618 HH Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742621 HH Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742624 HH Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742730 HH Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742737 HH Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742739 HH Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742741 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1 ZINC000587742799 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1 ZINC000587742800 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1 ZINC000587742801 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1 ZINC000587742802 HH Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(CN(C)C)c1O ZINC000587742824 HH Annotated Clean COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(CN(C)C)c1O ZINC000587742825 HH Annotated Clean COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(CN(C)C)c1O ZINC000587742826 HH Annotated Clean COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(CN(C)C)c1O ZINC000587742827 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(N)ncc32)N1 ZINC000587743020 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(N)ncc32)N1 ZINC000587743024 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc(N)ncc32)N1 ZINC000587743026 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc(N)ncc32)N1 ZINC000587743027 HH Annotated Anodyne COc1c([N+](=O)[O-])ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587743214 HH Annotated Clean COc1c([N+](=O)[O-])ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587743220 HH Annotated Clean COc1c([N+](=O)[O-])ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587743222 HH Annotated Clean COc1c([N+](=O)[O-])ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587743224 HH Annotated Clean COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1 ZINC000587743833 HH Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c([N+](=O)[O-])c1 ZINC000587743845 HH Annotated Clean COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c([N+](=O)[O-])c1 ZINC000587743848 HH Annotated Clean COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c([N+](=O)[O-])c1 ZINC000587743850 HH Annotated Clean COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c([N+](=O)[O-])c1 ZINC000587743852 HH Annotated Clean COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1 ZINC000587743882 HH Annotated Bother COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1 ZINC000587743884 HH Annotated Bother COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1 ZINC000587743886 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 ZINC000587743974 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 ZINC000587743975 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 ZINC000587744001 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 ZINC000587744003 HH Annotated Clean COc1ccc2c(c1)OC=C(N)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744004 HH Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744006 HH Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744008 HH Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744010 HH Annotated Anodyne CNC(=C[C@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC ZINC000587744096 HH Annotated Anodyne CNC(=C[C@@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC ZINC000587744097 HH Annotated Anodyne CNC(=C[C@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21)NC ZINC000587744099 HH Annotated Anodyne CNC(=C[C@@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21)NC ZINC000587744100 HH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2nc(N)oc12 ZINC000587744129 HH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2nc(N)oc12 ZINC000587744143 HH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2nc(N)oc12 ZINC000587744146 HH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2nc(N)oc12 ZINC000587744150 HH Annotated Anodyne C/C(=C\[C@]1(c2cnccn2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C ZINC000587744163 HH Annotated Anodyne C/C(=C\[C@]1(c2cnccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C ZINC000587744166 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 ZINC000587744167 HH Annotated Clean C/C(=C\[C@@]1(c2cnccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N(C)C ZINC000587744169 HH Annotated Anodyne C/C(=C\[C@@]1(c2cnccn2)N[C@H](C)Cc2ccc(F)c(Br)c21)N(C)C ZINC000587744171 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 ZINC000587744207 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 ZINC000587744210 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 ZINC000587744213 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(N)ncc32)N1 ZINC000587744245 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(N)ncc32)N1 ZINC000587744248 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc(N)ncc32)N1 ZINC000587744252 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc(N)ncc32)N1 ZINC000587744256 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3ncnc(N)c32)N1 ZINC000587744265 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3ncnc(N)c32)N1 ZINC000587744268 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3ncnc(N)c32)N1 ZINC000587744271 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3ncnc(N)c32)N1 ZINC000587744275 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)N(C)C)N1 ZINC000587744431 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC(=O)N(C)C)N1 ZINC000587744432 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)N(C)C)N1 ZINC000587744433 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC(=O)N(C)C)N1 ZINC000587744434 HH Annotated Anodyne COC(=O)CC[C@]1(c2ccccc2N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744512 HH Annotated Anodyne COC(=O)CC[C@]1(c2ccccc2N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744516 HH Annotated Anodyne COC(=O)CC[C@@]1(c2ccccc2N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744517 HH Annotated Anodyne COC(=O)CC[C@@]1(c2ccccc2N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744518 HH Annotated Anodyne COc1c([N+](=O)[O-])ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587744574 HH Annotated Clean COc1c([N+](=O)[O-])ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587744575 HH Annotated Clean COc1c([N+](=O)[O-])ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587744576 HH Annotated Clean COc1c([N+](=O)[O-])ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587744577 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cccc(N)c2)N1 ZINC000587744724 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cccc(N)c2)N1 ZINC000587744732 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cccc(N)c2)N1 ZINC000587744733 HH Annotated Anodyne COC(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] ZINC000587744734 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cccc(N)c2)N1 ZINC000587744736 HH Annotated Anodyne COC(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] ZINC000587744737 HH Annotated Bother COC(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] ZINC000587744739 HH Annotated Bother COC(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] ZINC000587744741 HH Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587744769 HH Annotated Clean COc1cc([N+](=O)[O-])cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587744772 HH Annotated Clean COc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587744774 HH Annotated Clean COc1cc([N+](=O)[O-])cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587744775 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(NC[C@@H]3CCCO3)nc2)N1 ZINC000587744829 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(NC[C@H]3CCCO3)nc2)N1 ZINC000587744831 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(NC[C@@H]3CCCO3)nc2)N1 ZINC000587745027 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(NC[C@H]3CCCO3)nc2)N1 ZINC000587745028 HH Annotated Anodyne COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587745196 HH Annotated Bother COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587745197 HH Annotated Bother COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587745200 HH Annotated Bother COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587745202 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COC(=O)c2ccccc2N)N1 ZINC000587745421 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COC(=O)c2ccccc2N)N1 ZINC000587745435 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(COC(=O)c2ccccc2N)N1 ZINC000587745438 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(COC(=O)c2ccccc2N)N1 ZINC000587745440 HH Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745481 HH Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745483 HH Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745484 HH Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745485 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3ncnc(N)c32)N1 ZINC000587745503 HH Annotated Anodyne COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745504 HH Annotated Bother COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745505 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3ncnc(N)c32)N1 ZINC000587745506 HH Annotated Anodyne COC(=O)c1ccc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745508 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3ncnc(N)c32)N1 ZINC000587745509 HH Annotated Anodyne COC(=O)c1ccc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745511 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3ncnc(N)c32)N1 ZINC000587745514 HH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587745518 HH Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587745522 HH Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587745526 HH Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587745529 HH Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587746070 HH Annotated Clean COc1cc([N+](=O)[O-])cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587746072 HH Annotated Clean COc1cc([N+](=O)[O-])cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587746074 HH Annotated Clean COc1cc([N+](=O)[O-])cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587746076 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cccc(N)c2)N1 ZINC000587746286 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cccc(N)c2)N1 ZINC000587746287 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cccc(N)c2)N1 ZINC000587746288 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cccc(N)c2)N1 ZINC000587746289 HH Annotated Anodyne COc1c(O)ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] ZINC000587746290 HH Annotated Bother COc1c(O)ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] ZINC000587746291 HH Annotated Bother COc1c(O)ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] ZINC000587746292 HH Annotated Bother COc1c(O)ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] ZINC000587746293 HH Annotated Bother COc1c(O)ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] ZINC000587746326 HH Annotated Bother COc1c(O)ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] ZINC000587746328 HH Annotated Bother COc1c(O)ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] ZINC000587746330 HH Annotated Bother COc1c(O)ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-] ZINC000587746332 HH Annotated Bother COc1cc2c(cc1OC)[C@]1(C[C@H]2N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746422 HH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746431 HH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@H]2N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746433 HH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587746436 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC3C[C@H]2CC(C(N)=O)(C3)C1 ZINC000587746601 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC3C[C@H]2CC(C(N)=O)(C3)C1 ZINC000587746602 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)oc3ccccc3c2=O)N1 ZINC000587746687 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)oc3ccccc3c2=O)N1 ZINC000587746781 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)oc3ccccc3c2=O)N1 ZINC000587746782 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)oc3ccccc3c2=O)N1 ZINC000587746783 HH Annotated Anodyne COc1cc(N)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587746817 HH Annotated Anodyne COc1cc(N)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587746819 HH Annotated Anodyne COc1cc(N)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587746820 HH Annotated Anodyne COc1cc(N)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587746822 HH Annotated Anodyne COc1ccc(N)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587746864 HH Annotated Anodyne COc1ccc(N)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587746865 HH Annotated Anodyne COc1ccc(N)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587746866 HH Annotated Anodyne COc1ccc(N)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587746867 HH Annotated Anodyne COc1cc(N)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587746891 HH Annotated Anodyne COc1cc(N)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587746892 HH Annotated Anodyne COc1cc(N)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587746893 HH Annotated Anodyne COc1cc(N)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587746894 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)oc3ccccc3c2=O)N1 ZINC000587747108 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)oc3ccccc3c2=O)N1 ZINC000587747110 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)oc3ccccc3c2=O)N1 ZINC000587747112 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)oc3ccccc3c2=O)N1 ZINC000587747114 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2N)OCCO3)N1 ZINC000587747301 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2N)OCCO3)N1 ZINC000587747303 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2N)OCCO3)N1 ZINC000587747306 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2N)OCCO3)N1 ZINC000587747308 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(N)cc2)N1 ZINC000587747348 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(N)cc2)N1 ZINC000587747349 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(N)cc2)N1 ZINC000587747350 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(N)cc2)N1 ZINC000587747351 HH Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1OC ZINC000587747545 HH Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1OC ZINC000587747546 HH Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1OC ZINC000587747547 HH Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1OC ZINC000587747548 HH Annotated Anodyne COC(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] ZINC000587747598 HH Annotated Bother COC(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] ZINC000587747599 HH Annotated Bother COC(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] ZINC000587747600 HH Annotated Bother COC(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-] ZINC000587747601 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(N)cc2)N1 ZINC000587747827 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(N)cc2)N1 ZINC000587747829 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(N)cc2)N1 ZINC000587747831 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(N)cc2)N1 ZINC000587747833 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1 ZINC000587747911 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1 ZINC000587747912 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1 ZINC000587747913 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1 ZINC000587747915 HH Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1O ZINC000587747921 HH Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1O ZINC000587747923 HH Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1O ZINC000587747925 HH Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1O ZINC000587747926 HH Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c([N+](=O)[O-])c1 ZINC000587747960 HH Annotated Clean COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c([N+](=O)[O-])c1 ZINC000587747961 HH Annotated Clean COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c([N+](=O)[O-])c1 ZINC000587747962 HH Annotated Clean COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c([N+](=O)[O-])c1 ZINC000587747963 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2N)OCCO3)N1 ZINC000587747970 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2N)OCCO3)N1 ZINC000587747971 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2N)OCCO3)N1 ZINC000587747972 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2N)OCCO3)N1 ZINC000587747973 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1 ZINC000587748069 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1 ZINC000587748074 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1 ZINC000587748076 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1 ZINC000587748077 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 ZINC000587748214 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 ZINC000587748216 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 ZINC000587748218 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)cc([N+](=O)[O-])c2O)N1 ZINC000587748220 HH Annotated Clean COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2nc(N)oc12 ZINC000587748366 HH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2nc(N)oc12 ZINC000587748367 HH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2nc(N)oc12 ZINC000587748368 HH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2nc(N)oc12 ZINC000587748369 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1 ZINC000587748475 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1 ZINC000587748476 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1 ZINC000587748477 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1 ZINC000587748478 HH Annotated Bother Cc1nn(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-] ZINC000587748480 HH Annotated Bother Cc1nn(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-] ZINC000587748492 HH Annotated Bother Cc1nn(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-] ZINC000587748493 HH Annotated Bother Cc1nn(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-] ZINC000587748495 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 ZINC000587748501 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 ZINC000587748503 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 ZINC000587748505 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c([N+](=O)[O-])c2O)N1 ZINC000587748508 HH Annotated Clean Cc1nn(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-] ZINC000587748539 HH Annotated Bother Cc1nn(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-] ZINC000587748541 HH Annotated Bother Cc1nn(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-] ZINC000587748543 HH Annotated Bother Cc1nn(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-] ZINC000587748544 HH Annotated Bother COC(=O)c1ccc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587748713 HH Annotated Bother COC(=O)c1ccc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587748715 HH Annotated Bother COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587748717 HH Annotated Bother COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587748718 HH Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587748728 HH Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587748730 HH Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587748732 HH Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587748734 HH Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1O ZINC000587748832 HH Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1O ZINC000587748834 HH Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1O ZINC000587748836 HH Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1O ZINC000587748838 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1 ZINC000587748898 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1 ZINC000587748899 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1 ZINC000587748900 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1 ZINC000587748901 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587748924 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587748925 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587748926 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587748927 HH Annotated Bother CC[C@]1(c2cc(C(=O)OC)n(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748940 HH Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748941 HH Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748942 HH Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587748943 HH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749022 HH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@H]2N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749023 HH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749024 HH Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C[C@H]2N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749025 HH Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1OC ZINC000587749112 HH Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1OC ZINC000587749115 HH Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1OC ZINC000587749119 HH Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1OC ZINC000587749123 HH Annotated Anodyne COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587749181 HH Annotated Bother COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587749182 HH Annotated Bother COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587749183 HH Annotated Bother COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587749185 HH Annotated Bother COc1cc(N)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587749379 HH Annotated Anodyne COc1cc(N)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587749380 HH Annotated Anodyne COc1cc(N)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587749381 HH Annotated Anodyne COc1cc(N)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587749384 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1 ZINC000587749768 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1 ZINC000587749769 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1 ZINC000587749770 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1 ZINC000587749771 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COC(=O)c2ccccc2N)N1 ZINC000587750091 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COC(=O)c2ccccc2N)N1 ZINC000587750093 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(COC(=O)c2ccccc2N)N1 ZINC000587750098 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(COC(=O)c2ccccc2N)N1 ZINC000587750100 HH Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750119 HH Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750121 HH Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750122 HH Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750123 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1 ZINC000587750144 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1 ZINC000587750146 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1 ZINC000587750147 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1 ZINC000587750148 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000587750345 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000587750346 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000587750348 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000587750349 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC[C@H](N)C(=O)O)(c2ccccc2)N1 ZINC000587750850 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC[C@@H](N)C(=O)O)(c2ccccc2)N1 ZINC000587750851 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC[C@H](N)C(=O)O)(c2ccccc2)N1 ZINC000587750852 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC[C@@H](N)C(=O)O)(c2ccccc2)N1 ZINC000587750853 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587750873 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587750874 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587750875 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587750877 HH Annotated Bother COC(=O)CC[C@]1(c2ccccc2N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750990 HH Annotated Anodyne COC(=O)CC[C@]1(c2ccccc2N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750993 HH Annotated Anodyne COC(=O)CC[C@@]1(c2ccccc2N)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750995 HH Annotated Anodyne COC(=O)CC[C@@]1(c2ccccc2N)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750997 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC[C@H](N)C(=O)O)(c2ccccc2)N1 ZINC000587751174 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC[C@@H](N)C(=O)O)(c2ccccc2)N1 ZINC000587751175 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC[C@H](N)C(=O)O)(c2ccccc2)N1 ZINC000587751176 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC[C@@H](N)C(=O)O)(c2ccccc2)N1 ZINC000587751177 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1 ZINC000587751415 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1 ZINC000587751416 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1 ZINC000587751417 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1 ZINC000587751418 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1 ZINC000587751439 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1 ZINC000587751440 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1 ZINC000587751441 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1 ZINC000587751442 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC3C[C@H]2CC(C(N)=O)(C3)C1 ZINC000587751677 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC3C[C@H]2CC(C(N)=O)(C3)C1 ZINC000587751680 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2nccn2C)N1 ZINC000587751734 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2nccn2C)N1 ZINC000587751751 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2nccn2C)N1 ZINC000587751752 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2nccn2C)N1 ZINC000587751753 HH Annotated Anodyne COc1cc(N)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587751856 HH Annotated Anodyne COc1cc(N)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587751857 HH Annotated Anodyne COc1cc(N)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587751859 HH Annotated Anodyne COc1cc(N)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587751863 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(c2nccn2C)N1 ZINC000587752044 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N)cc2)(c2nccn2C)N1 ZINC000587752052 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(c2nccn2C)N1 ZINC000587752054 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N)cc2)(c2nccn2C)N1 ZINC000587752056 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2nccn2C)N1 ZINC000587752135 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2nccn2C)N1 ZINC000587752136 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2nccn2C)N1 ZINC000587752137 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2nccn2C)N1 ZINC000587752138 HH Annotated Anodyne CN[C@H](C)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752255 HH Annotated Anodyne CN[C@H](C)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752256 HH Annotated Anodyne CN[C@H](C)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752257 HH Annotated Anodyne CN[C@H](C)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752258 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1 ZINC000587752625 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1 ZINC000587752626 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1 ZINC000587752628 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1 ZINC000587752630 HH Annotated Bother CCNC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587752696 HH Annotated Anodyne CCNC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587752697 HH Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587752698 HH Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587752699 HH Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-n1cnnc1 ZINC000587752771 HH Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-n1cnnc1 ZINC000587752772 HH Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-n1cnnc1 ZINC000587752773 HH Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-n1cnnc1 ZINC000587752779 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(c2nccn2C)N1 ZINC000587753013 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N)cc2)(c2nccn2C)N1 ZINC000587753015 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(c2nccn2C)N1 ZINC000587753016 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N)cc2)(c2nccn2C)N1 ZINC000587753018 HH Annotated Anodyne CCNC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753180 HH Annotated Anodyne CCNC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753181 HH Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753182 HH Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753184 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cn(C)c3ccccc23)N1 ZINC000587753260 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cn(C)c3ccccc23)N1 ZINC000587753267 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cn(C)c3ccccc23)N1 ZINC000587753269 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cn(C)c3ccccc23)N1 ZINC000587753272 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000587753331 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000587753332 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000587753334 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1 ZINC000587753336 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1 ZINC000587753364 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1 ZINC000587753365 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1 ZINC000587753366 HH Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1 ZINC000587753367 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2nccn2C)(C2CCOCC2)N1 ZINC000587753841 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2nccn2C)(C2CCOCC2)N1 ZINC000587753842 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2nccn2C)(C2CCOCC2)N1 ZINC000587753843 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2nccn2C)(C2CCOCC2)N1 ZINC000587753844 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)N1 ZINC000587754077 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)N1 ZINC000587754081 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)N1 ZINC000587754084 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)N1 ZINC000587754088 HH Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2nccn2C)N1 ZINC000587754221 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2nccn2C)N1 ZINC000587754222 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2nccn2C)N1 ZINC000587754223 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2nccn2C)N1 ZINC000587754224 HH Annotated Anodyne CN[C@H](C)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754281 HH Annotated Anodyne CN[C@H](C)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754283 HH Annotated Anodyne CN[C@H](C)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754285 HH Annotated Anodyne CN[C@H](C)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754286 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1 ZINC000587754663 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1 ZINC000587754664 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1 ZINC000587754665 HH Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1 ZINC000587754666 HH Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2nccn2C)(C2CCOCC2)N1 ZINC000587755110 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2nccn2C)(C2CCOCC2)N1 ZINC000587755111 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2nccn2C)(C2CCOCC2)N1 ZINC000587755112 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2nccn2C)(C2CCOCC2)N1 ZINC000587755114 HH Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@H]1CCCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587755519 HH Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@@H]1CCCO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587755523 HH Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@H]1CCCO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587755524 HH Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@@H]1CCCO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587755526 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(-c3ccccc3)nn2)N1 ZINC000587755549 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(-c3ccccc3)nn2)N1 ZINC000587755553 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(-c3ccccc3)nn2)N1 ZINC000587755555 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(-c3ccccc3)nn2)N1 ZINC000587755556 HH Annotated Anodyne COC(=O)CCn1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755994 HH Annotated Anodyne COC(=O)CCn1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755995 HH Annotated Anodyne COC(=O)CCn1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755996 HH Annotated Anodyne COC(=O)CCn1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755998 HH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587756346 HH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587756348 HH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587756349 HH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587756350 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nn2)N1 ZINC000587756363 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nn2)N1 ZINC000587756364 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nn2)N1 ZINC000587756367 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nn2)N1 ZINC000587756369 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cncn3)cc2)N1 ZINC000587756771 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cncn3)cc2)N1 ZINC000587756773 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cncn3)cc2)N1 ZINC000587756774 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cncn3)cc2)N1 ZINC000587756776 HH Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=CN1C1CC1 ZINC000587756817 HH Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=CN1C1CC1 ZINC000587756822 HH Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=CN1C1CC1 ZINC000587756824 HH Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=CN1C1CC1 ZINC000587756826 HH Annotated Anodyne COCCn1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587756877 HH Annotated Anodyne COCCn1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587756881 HH Annotated Anodyne COCCn1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587756882 HH Annotated Anodyne COCCn1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587756883 HH Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-n1cnnc1 ZINC000587757034 HH Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-n1cnnc1 ZINC000587757036 HH Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-n1cnnc1 ZINC000587757038 HH Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-n1cnnc1 ZINC000587757039 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757128 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757129 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757130 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757131 HH Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757152 HH Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757153 HH Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757154 HH Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757155 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2nccn2C)N1 ZINC000587757842 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2nccn2C)N1 ZINC000587757845 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2nccn2C)N1 ZINC000587757847 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2nccn2C)N1 ZINC000587757850 HH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757989 HH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757992 HH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757995 HH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757997 HH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758020 HH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758021 HH Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758022 HH Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758023 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(-c3ccccc3)nn2)N1 ZINC000587758234 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(-c3ccccc3)nn2)N1 ZINC000587758235 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(-c3ccccc3)nn2)N1 ZINC000587758237 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(-c3ccccc3)nn2)N1 ZINC000587758239 HH Annotated Anodyne COC(=O)CCn1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587758517 HH Annotated Anodyne COC(=O)CCn1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587758518 HH Annotated Anodyne COC(=O)CCn1nc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587758520 HH Annotated Anodyne COC(=O)CCn1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587758521 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CN(C(=O)OCc3ccccc3)C2)N1 ZINC000587758684 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CN(C(=O)OCc3ccccc3)C2)N1 ZINC000587758685 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 ZINC000587759172 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 ZINC000587759175 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 ZINC000587759177 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 ZINC000587759179 HH Annotated Clean CCn1nccc1[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759407 HH Annotated Anodyne CCn1nccc1[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759410 HH Annotated Anodyne CCn1nccc1[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759411 HH Annotated Anodyne CCn1nccc1[C@]1(/C=C\N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759413 HH Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759534 HH Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759535 HH Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759536 HH Annotated Anodyne Cc1nn(CCC(=O)O)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759537 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C[C@@H]3CCCO3)C[C@H]2C)N1 ZINC000587759560 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C[C@H]3CCCO3)C[C@H]2C)N1 ZINC000587759561 HH Annotated Anodyne C[C@H]1CN(C[C@@H]2CCCO2)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759562 HH Annotated Anodyne C[C@H]1CN(C[C@H]2CCCO2)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759563 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-n2ccnn2)N1 ZINC000587759654 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-n2ccnn2)N1 ZINC000587759656 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-n2ccnn2)N1 ZINC000587759658 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-n2ccnn2)N1 ZINC000587759660 HH Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587759751 HH Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587759753 HH Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587759755 HH Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587759765 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587759810 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587759811 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587759812 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587759813 HH Annotated Anodyne COCCn1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587759834 HH Annotated Anodyne COCCn1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587759835 HH Annotated Anodyne COCCn1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587759836 HH Annotated Anodyne COCCn1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587759837 HH Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=CN1C1CC1 ZINC000587760028 HH Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=CN1C1CC1 ZINC000587760030 HH Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=CN1C1CC1 ZINC000587760032 HH Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=CN1C1CC1 ZINC000587760034 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587760091 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587760094 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587760096 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(N)=O)c3ccccc23)N1 ZINC000587760098 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nn2)N1 ZINC000587760258 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nn2)N1 ZINC000587760259 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nn2)N1 ZINC000587760261 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nn2)N1 ZINC000587760262 HH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587760405 HH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587760407 HH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587760410 HH Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587760413 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760422 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760423 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760424 HH Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760425 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1 ZINC000587760851 HH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1 ZINC000587760852 HH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1 ZINC000587760853 HH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1 ZINC000587760854 HH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1 ZINC000587761079 HH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1 ZINC000587761080 HH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1 ZINC000587761081 HH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1 ZINC000587761082 HH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-n2ccnn2)N1 ZINC000587761199 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-n2ccnn2)N1 ZINC000587761200 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-n2ccnn2)N1 ZINC000587761201 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-n2ccnn2)N1 ZINC000587761202 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587761300 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587761306 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587761308 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587761309 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 ZINC000587761581 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 ZINC000587761582 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 ZINC000587761583 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CC(C(=O)O)C3)cc2)N1 ZINC000587761584 HH Annotated Clean CCn1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587761663 HH Annotated Anodyne CCn1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587761664 HH Annotated Anodyne CCn1ccc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587761665 HH Annotated Anodyne CCn1ccc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587761666 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(CC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761707 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(CC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761708 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(CC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761709 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(CC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761710 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cncn3)cc2)N1 ZINC000587762176 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cncn3)cc2)N1 ZINC000587762177 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cncn3)cc2)N1 ZINC000587762178 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cncn3)cc2)N1 ZINC000587762179 HH Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@H]1CCCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762186 HH Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@@H]1CCCO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762188 HH Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@H]1CCCO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762191 HH Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@@H]1CCCO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762193 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587762264 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587762265 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587762266 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)c3ccccc3C2=O)N1 ZINC000587762267 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762268 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762269 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762270 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762271 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762280 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762281 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762282 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCN2C(=O)c3ccccc3C2=O)N1 ZINC000587762283 HH Annotated Anodyne CCn1nccc1[C@]1(/C=C\N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762408 HH Annotated Anodyne CCn1nccc1[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762409 HH Annotated Anodyne CCn1nccc1[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762410 HH Annotated Anodyne CCn1nccc1[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762411 HH Annotated Anodyne CCn1ncc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587762460 HH Annotated Anodyne CCn1ncc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587762461 HH Annotated Anodyne CCn1ncc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587762462 HH Annotated Anodyne CCn1ncc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587762463 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C[C@@H]3CCCO3)C[C@H]2C)N1 ZINC000587763422 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C[C@H]3CCCO3)C[C@H]2C)N1 ZINC000587763423 HH Annotated Anodyne C[C@H]1CN(C[C@@H]2CCCO2)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763424 HH Annotated Anodyne C[C@H]1CN(C[C@H]2CCCO2)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763425 HH Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587763760 HH Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587763761 HH Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587763762 HH Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587763763 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCN(C)CC2)N1 ZINC000587764258 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCN(C)CC2)N1 ZINC000587764259 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCN(C)CC2)N1 ZINC000587764260 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCN(C)CC2)N1 ZINC000587764261 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCCCC3)nc2)N1 ZINC000587764338 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCCCC3)nc2)N1 ZINC000587764339 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCCCC3)nc2)N1 ZINC000587764340 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCCCC3)nc2)N1 ZINC000587764341 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCNCC2)N1 ZINC000587764366 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCNCC2)N1 ZINC000587764367 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCNCC2)N1 ZINC000587764368 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCNCC2)N1 ZINC000587764369 HH Annotated Anodyne CCn1ccc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764436 HH Annotated Anodyne CCn1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764438 HH Annotated Anodyne CCn1ccc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764439 HH Annotated Anodyne CCn1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587764440 HH Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587764476 HH Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587764477 HH Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587764478 HH Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587764479 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3CCN(C)CC3)c2)N1 ZINC000587764624 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3CCN(C)CC3)c2)N1 ZINC000587764625 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3CCN(C)CC3)c2)N1 ZINC000587764626 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3CCN(C)CC3)c2)N1 ZINC000587764628 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCNC3=O)c2)N1 ZINC000587765000 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CCNC3=O)c2)N1 ZINC000587765001 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCNC3=O)c2)N1 ZINC000587765002 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CCNC3=O)c2)N1 ZINC000587765003 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCNCC3)cc2)N1 ZINC000587765253 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCNCC3)cc2)N1 ZINC000587765255 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCNCC3)cc2)N1 ZINC000587765258 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCNCC3)cc2)N1 ZINC000587765260 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCNC3=O)cc2)N1 ZINC000587765388 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCNC3=O)cc2)N1 ZINC000587765391 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccco3)CC2)N1 ZINC000587765427 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccco3)CC2)N1 ZINC000587765430 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C3CCN(C)CC3)CC2)N1 ZINC000587765470 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C3CCN(C)CC3)CC2)N1 ZINC000587765471 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCNC3=O)cc2)N1 ZINC000587765530 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCNC3=O)cc2)N1 ZINC000587765531 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(c1ccccc1)N(C)[C@@H]2C ZINC000587765674 HH Annotated Anodyne C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765675 HH Annotated Anodyne C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765676 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(c1ccccc1)N(C)[C@@H]2C ZINC000587765677 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C2=O)N1 ZINC000587766161 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)C2=O)N1 ZINC000587766162 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C2=O)N1 ZINC000587766164 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)C2=O)N1 ZINC000587766165 HH Annotated Anodyne CCn1ncc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587766305 HH Annotated Anodyne CCn1ncc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587766307 HH Annotated Anodyne CCn1ncc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587766309 HH Annotated Anodyne CCn1ncc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587766313 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccco3)CC2)N1 ZINC000587766396 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccco3)CC2)N1 ZINC000587766398 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCNCC3)cc2)N1 ZINC000587766422 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCNCC3)cc2)N1 ZINC000587766436 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCNCC3)cc2)N1 ZINC000587766438 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCNCC3)cc2)N1 ZINC000587766440 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCCCC3)nc2)N1 ZINC000587766570 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCCCC3)nc2)N1 ZINC000587766572 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCCCC3)nc2)N1 ZINC000587766574 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCCCC3)nc2)N1 ZINC000587766575 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(CC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766707 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(CC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766708 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(CC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766709 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(CC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766710 HH Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587766743 HH Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587766745 HH Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587766747 HH Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587766749 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCNCC3)cc2)N1 ZINC000587766904 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCNCC3)cc2)N1 ZINC000587766906 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCNCC3)cc2)N1 ZINC000587766907 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCNCC3)cc2)N1 ZINC000587766908 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCN(C)C2=O)N1 ZINC000587767057 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2CCN(C)C2=O)N1 ZINC000587767063 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCN(C)C2=O)N1 ZINC000587767066 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCN(C)C2=O)N1 ZINC000587767069 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCN(C)C2=O)N1 ZINC000587767081 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2CCN(C)C2=O)N1 ZINC000587767083 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCN(C)C2=O)N1 ZINC000587767086 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCN(C)C2=O)N1 ZINC000587767088 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C2=O)N1 ZINC000587767091 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C2=O)N1 ZINC000587767093 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C2=O)N1 ZINC000587767096 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C2=O)N1 ZINC000587767098 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCNCC3)cc2)N1 ZINC000587767154 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCNCC3)cc2)N1 ZINC000587767156 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCNCC3)cc2)N1 ZINC000587767158 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCNCC3)cc2)N1 ZINC000587767160 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCN(C)CC2)N1 ZINC000587767180 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCN(C)CC2)N1 ZINC000587767181 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCN(C)CC2)N1 ZINC000587767183 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCN(C)CC2)N1 ZINC000587767185 HH Annotated Anodyne COC(=O)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n2ccccc12 ZINC000587767483 HH Annotated Anodyne COC(=O)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n2ccccc12 ZINC000587767484 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N3CCN(C)CC3)c2)N1 ZINC000587767575 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N3CCN(C)CC3)c2)N1 ZINC000587767578 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N3CCN(C)CC3)c2)N1 ZINC000587767579 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N3CCN(C)CC3)c2)N1 ZINC000587767581 HH Annotated Anodyne C=CCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767689 HH Annotated Mild C=CCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767690 HH Annotated Mild C=CCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767691 HH Annotated Mild C=CCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767695 HH Annotated Mild COC(=O)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n2ccccc12 ZINC000587767800 HH Annotated Anodyne COC(=O)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n2ccccc12 ZINC000587767802 HH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(OC)n1 ZINC000587767881 HH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(OC)n1 ZINC000587767887 HH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(OC)n1 ZINC000587767892 HH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(OC)n1 ZINC000587767897 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)o2)N1 ZINC000587767957 HH Annotated Anodyne CCOC(=O)[C@]1(c2ncccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767967 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)o2)N1 ZINC000587767969 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)o2)N1 ZINC000587767971 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)o2)N1 ZINC000587767974 HH Annotated Anodyne CCOC(=O)[C@]1(c2ncccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767993 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ncccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767996 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ncccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767999 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587768100 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587768102 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587768104 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587768106 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCNC3=O)cc2)N1 ZINC000587768108 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCNC3=O)cc2)N1 ZINC000587768110 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCNC3=O)cc2)N1 ZINC000587768112 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCNC3=O)cc2)N1 ZINC000587768114 HH Annotated Anodyne CCOC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587768125 HH Annotated Anodyne CCOC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587768132 HH Annotated Anodyne CCOC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587768134 HH Annotated Anodyne CCOC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587768136 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)o2)N1 ZINC000587768144 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C)CC3)o2)N1 ZINC000587768145 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)o2)N1 ZINC000587768251 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C)CC3)o2)N1 ZINC000587768252 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCNC3=O)c2)N1 ZINC000587768311 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CCNC3=O)c2)N1 ZINC000587768312 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCNC3=O)c2)N1 ZINC000587768314 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CCNC3=O)c2)N1 ZINC000587768316 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCNCC2)N1 ZINC000587768371 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCNCC2)N1 ZINC000587768374 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCNCC2)N1 ZINC000587768377 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCNCC2)N1 ZINC000587768379 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587768480 HH Annotated Clean COc1cc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587768481 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587768482 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587768483 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C)CC3)cc2)N1 ZINC000587768484 HH Annotated Clean COc1cc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587768487 HH Annotated Anodyne COc1cc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587768490 HH Annotated Anodyne COc1cc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 ZINC000587768491 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 ZINC000587768593 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 ZINC000587768594 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 ZINC000587768596 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 ZINC000587768597 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(CC(=O)O)c3ccccc32)N1 ZINC000587768648 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(CC(=O)O)c3ccccc32)N1 ZINC000587768650 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(CC(=O)O)c3ccccc32)N1 ZINC000587768651 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(CC(=O)O)c3ccccc32)N1 ZINC000587768654 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccoc3)CC2)N1 ZINC000587768866 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3ccoc3)CC2)N1 ZINC000587768867 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(CC(=O)O)c3ccccc32)N1 ZINC000587769009 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(CC(=O)O)c3ccccc32)N1 ZINC000587769010 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(CC(=O)O)c3ccccc32)N1 ZINC000587769012 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(CC(=O)O)c3ccccc32)N1 ZINC000587769013 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C3CCN(C)CC3)CC2)N1 ZINC000587769197 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C3CCN(C)CC3)CC2)N1 ZINC000587769199 HH Annotated Anodyne COC(=O)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n2ccccc12 ZINC000587769353 HH Annotated Anodyne COC(=O)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n2ccccc12 ZINC000587769355 HH Annotated Anodyne COC(=O)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n2ccccc12 ZINC000587769357 HH Annotated Anodyne COC(=O)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n2ccccc12 ZINC000587769359 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CN2C(=O)COc3ccccc32)N1 ZINC000587769450 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CN2C(=O)COc3ccccc32)N1 ZINC000587769453 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CN2C(=O)COc3ccccc32)N1 ZINC000587769456 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CN2C(=O)COc3ccccc32)N1 ZINC000587769458 HH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(OC)n1 ZINC000587769562 HH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(OC)n1 ZINC000587769563 HH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(OC)n1 ZINC000587769564 HH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(OC)n1 ZINC000587769565 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccoc3)CC2)N1 ZINC000587769722 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3ccoc3)CC2)N1 ZINC000587769723 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 ZINC000587769945 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 ZINC000587769952 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 ZINC000587769961 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 ZINC000587769968 HH Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770023 HH Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770025 HH Annotated Anodyne CCOC(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770028 HH Annotated Anodyne CCOC(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587770030 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(O)CC3)o2)N1 ZINC000587770221 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(O)CC3)o2)N1 ZINC000587770222 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(O)CC3)o2)N1 ZINC000587770223 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(O)CC3)o2)N1 ZINC000587770224 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CN2C(=O)COc3ccccc32)N1 ZINC000587770321 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CN2C(=O)COc3ccccc32)N1 ZINC000587770323 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CN2C(=O)COc3ccccc32)N1 ZINC000587770325 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CN2C(=O)COc3ccccc32)N1 ZINC000587770328 HH Annotated Anodyne CCOC(=O)[C@]1(c2ncccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770371 HH Annotated Anodyne CCOC(=O)[C@]1(c2ncccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770373 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ncccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770375 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ncccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770376 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)nc2)N1 ZINC000587771024 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)nc2)N1 ZINC000587771045 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)nc2)N1 ZINC000587771046 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)nc2)N1 ZINC000587771048 HH Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2C ZINC000587771301 HH Annotated Anodyne CCc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2C ZINC000587771304 HH Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2C ZINC000587771308 HH Annotated Anodyne CCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2C ZINC000587771312 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(O)CC3)o2)N1 ZINC000587771655 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(O)CC3)o2)N1 ZINC000587771657 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(O)CC3)o2)N1 ZINC000587771658 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(O)CC3)o2)N1 ZINC000587771661 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771697 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771699 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771701 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771703 HH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)nc1OC ZINC000587771955 HH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)nc1OC ZINC000587771958 HH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)nc1OC ZINC000587771959 HH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)nc1OC ZINC000587771962 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(c1ccccc1)N(C)[C@@H]2C ZINC000587772077 HH Annotated Anodyne C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587772081 HH Annotated Anodyne C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587772086 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(c1ccccc1)N(C)[C@@H]2C ZINC000587772090 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 ZINC000587772107 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 ZINC000587772110 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 ZINC000587772113 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1ccccc12 ZINC000587772114 HH Annotated Anodyne C=CCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587772123 HH Annotated Mild C=CCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587772124 HH Annotated Mild C=CCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587772125 HH Annotated Mild C=CCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587772126 HH Annotated Mild CCOC(=O)C[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772301 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772303 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772305 HH Annotated Anodyne CCOC(=O)C[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772307 HH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)nc1OC ZINC000587772441 HH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)nc1OC ZINC000587772444 HH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)nc1OC ZINC000587772447 HH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)nc1OC ZINC000587772450 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cnc3ccccc3c2=O)N1 ZINC000587772522 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cnc3ccccc3c2=O)N1 ZINC000587772526 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cnc3ccccc3c2=O)N1 ZINC000587772529 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cnc3ccccc3c2=O)N1 ZINC000587772532 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)n1ccnc12 ZINC000587772697 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)n1ccnc12 ZINC000587772698 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)n1ccnc12 ZINC000587772699 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)n1ccnc12 ZINC000587772700 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772899 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772900 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772902 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772904 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)n1ccnc12 ZINC000587773013 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)n1ccnc12 ZINC000587773015 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)n1ccnc12 ZINC000587773016 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)n1ccnc12 ZINC000587773018 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 ZINC000587773399 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 ZINC000587773400 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 ZINC000587773401 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)N(C)c3ccccc32)N1 ZINC000587773406 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN3CCOCC3)o2)N1 ZINC000587773698 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN3CCOCC3)o2)N1 ZINC000587773732 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN3CCOCC3)o2)N1 ZINC000587773734 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN3CCOCC3)o2)N1 ZINC000587773737 HH Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587773936 HH Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587773937 HH Annotated Anodyne COc1cc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587773938 HH Annotated Anodyne COc1cc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 ZINC000587773939 HH Annotated Anodyne CCc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2C ZINC000587774470 HH Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2C ZINC000587774471 HH Annotated Anodyne CCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2C ZINC000587774472 HH Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2C ZINC000587774473 HH Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587774729 HH Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587774730 HH Annotated Anodyne CCOC(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587774731 HH Annotated Anodyne CCOC(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587774732 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN3CCOCC3)o2)N1 ZINC000587774892 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN3CCOCC3)o2)N1 ZINC000587774893 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN3CCOCC3)o2)N1 ZINC000587774894 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN3CCOCC3)o2)N1 ZINC000587774895 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cnc3ccccc3c2=O)N1 ZINC000587775140 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cnc3ccccc3c2=O)N1 ZINC000587775141 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cnc3ccccc3c2=O)N1 ZINC000587775142 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cnc3ccccc3c2=O)N1 ZINC000587775143 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=CN(c3ccc(N)cn3)C=C2)N1 ZINC000587775185 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C=CN(c3ccc(N)cn3)C=C2)N1 ZINC000587775190 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)nc2)N1 ZINC000587775244 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)nc2)N1 ZINC000587775246 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)nc2)N1 ZINC000587775249 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)nc2)N1 ZINC000587775251 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775317 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775318 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775319 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775320 HH Annotated Anodyne CCOC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587775377 HH Annotated Anodyne CCOC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587775378 HH Annotated Anodyne CCOC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587775379 HH Annotated Anodyne CCOC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587775380 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=CN(c3ccc(N)cn3)C=C2)N1 ZINC000587775557 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C=CN(c3ccc(N)cn3)C=C2)N1 ZINC000587775558 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2O)N1 ZINC000587776661 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2O)N1 ZINC000587776662 HH Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2O)N1 ZINC000587776663 HH Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2O)N1 ZINC000587776664 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 ZINC000587776805 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 ZINC000587776806 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 ZINC000587776807 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 ZINC000587776808 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2O)N1 ZINC000587777119 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2O)N1 ZINC000587777120 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2O)N1 ZINC000587777122 HH Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2O)N1 ZINC000587777123 HH Annotated Clean CCOC(=O)C[C@@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587777415 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587777416 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587777417 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587777418 HH Annotated Anodyne CCOCCOCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587777880 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCn3c(O)nc4cccc2c43)N1 ZINC000587777925 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCn3c(O)nc4cccc2c43)N1 ZINC000587777926 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCn3c(O)nc4cccc2c43)N1 ZINC000587777927 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCn3c(O)nc4cccc2c43)N1 ZINC000587777928 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCn3c(O)nc4cccc2c43)N1 ZINC000587778641 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCn3c(O)nc4cccc2c43)N1 ZINC000587778642 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCn3c(O)nc4cccc2c43)N1 ZINC000587778643 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCn3c(O)nc4cccc2c43)N1 ZINC000587778644 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778882 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778884 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778885 HH Annotated Anodyne CCOC(=O)C[C@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778886 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 ZINC000587779325 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 ZINC000587779326 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 ZINC000587779327 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(O)c(C(=O)O)cc32)N1 ZINC000587779328 HH Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587780107 HH Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587780907 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CC(=O)OCc3ccccc3)nc2c1 ZINC000587782647 HH Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 ZINC000587783184 HH Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCOCC3CC3)[nH]c2c1 ZINC000587783228 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3CC(=O)OC)nc2c1 ZINC000587783277 HH Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(O)c1O ZINC000587784562 HH Annotated Clean COc1cc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc(O)c1O ZINC000587784563 HH Annotated Clean NS(=O)(=O)c1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587784667 HH Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587784668 HH Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587784761 HH Annotated Anodyne COc1cc(/C=C/c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(O)c1O ZINC000587785271 HH Annotated Clean COc1cc(/C=C\c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(O)c1O ZINC000587785272 HH Annotated Clean COc1cc(/C=C/c2nc3cccc(I)c3[nH]2)cc(O)c1O ZINC000587785273 HH Annotated Clean COc1cc(/C=C\c2nc3cccc(I)c3[nH]2)cc(O)c1O ZINC000587785274 HH Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)c(O)c(OC)c3)nc2c1 ZINC000587785359 HH Annotated Anodyne COc1cc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(O)c1O ZINC000587785435 HH Annotated Clean COc1cc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc(O)c1O ZINC000587785436 HH Annotated Clean COC(=O)c1cc(Br)c2[nH]c(/C=C\c3cc(O)c(O)c(OC)c3)nc2c1 ZINC000587785560 HH Annotated Clean COC(=O)c1cc(Br)c2[nH]c(/C=C/c3cc(O)c(O)c(OC)c3)nc2c1 ZINC000587785563 HH Annotated Clean COc1ccc(C=O)c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c1OC ZINC000587785599 HH Annotated Bother COC(=O)c1cc(Br)c2nc(-c3c(C=O)ccc(OC)c3OC)[nH]c2c1 ZINC000587785683 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(C=O)ccc3OC)nc2c1 ZINC000587785879 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)c(O)c(OC)c3)nc2c1 ZINC000587785893 HH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cnccc2[nH]1 ZINC000587785993 HH Annotated Anodyne COc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(OC)c1O ZINC000587785999 HH Annotated Clean COc1ccc(C=O)c(-c2nc3cc(I)ccc3[nH]2)c1OC ZINC000587786185 HH Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(O)c1O ZINC000587786299 HH Annotated Clean COc1cc(/C=C/c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc(O)c1O ZINC000587786302 HH Annotated Clean COc1ccc(C=O)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587786386 HH Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)c1OC ZINC000587786663 HH Annotated Anodyne COc1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1O ZINC000587786967 HH Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)cc1O ZINC000587787163 HH Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587787228 HH Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587787463 HH Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(I)cccc3[nH]2)c1OC ZINC000587787673 HH Annotated Anodyne COc1ccc(C=O)c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c1OC ZINC000587787685 HH Annotated Bother COc1ccc(C)cc1C(=O)CCc1nc2cc(I)cnc2[nH]1 ZINC000587787853 HH Annotated Anodyne COc1ccc(C=O)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587787937 HH Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccnc2[nH]1 ZINC000587788311 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788851 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788856 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788857 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788858 HH Annotated Anodyne COc1ccc(OCC(=O)O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587788864 HH Annotated Anodyne COc1ccc(OCC(=O)O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587788878 HH Annotated Anodyne COc1ccc(OCC(=O)O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587788880 HH Annotated Anodyne COc1ccc(OCC(=O)O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587788882 HH Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC(=O)O)c1 ZINC000587788892 HH Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC(=O)O)c1 ZINC000587788895 HH Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC(=O)O)c1 ZINC000587788896 HH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC(=O)O)c1 ZINC000587788898 HH Annotated Anodyne COC(=O)COc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788930 HH Annotated Anodyne COC(=O)COc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788942 HH Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788944 HH Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788946 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)OCC(=O)N3)N1 ZINC000587789191 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)OCC(=O)N3)N1 ZINC000587789192 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)OCC(=O)N3)N1 ZINC000587789193 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)OCC(=O)N3)N1 ZINC000587789194 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587789203 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587789205 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587789206 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587789208 HH Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789273 HH Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789274 HH Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789275 HH Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789276 HH Annotated Anodyne COC(=O)COc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789413 HH Annotated Anodyne COC(=O)COc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789415 HH Annotated Anodyne COC(=O)COc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789418 HH Annotated Anodyne COC(=O)COc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789421 HH Annotated Anodyne COC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789526 HH Annotated Anodyne COC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789528 HH Annotated Anodyne COC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789530 HH Annotated Anodyne COC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587789532 HH Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789755 HH Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789757 HH Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789761 HH Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789764 HH Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC(=O)O)c1 ZINC000587789837 HH Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC(=O)O)c1 ZINC000587789840 HH Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC(=O)O)c1 ZINC000587789843 HH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC(=O)O)c1 ZINC000587789846 HH Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587789849 HH Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587789853 HH Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587789856 HH Annotated Anodyne CC(C)OC1=C(OC(C)C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587789858 HH Annotated Mild COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC(=O)O ZINC000587789860 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N[C@H](c3ccccc3)C2)N1 ZINC000587789873 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N[C@@H](c3ccccc3)C2)N1 ZINC000587789875 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N[C@H](c3ccccc3)C2)N1 ZINC000587789878 HH Annotated Anodyne CC(C)OC1=C(OC(C)C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587789881 HH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N[C@@H](c3ccccc3)C2)N1 ZINC000587789882 HH Annotated Anodyne CC(C)OC1=C(OC(C)C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587789885 HH Annotated Mild CC(C)OC1=C(OC(C)C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587789888 HH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCC(=O)O)c2)N1 ZINC000587790037 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCC(=O)O)c2)N1 ZINC000587790038 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCC(=O)O)c2)N1 ZINC000587790039 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCC(=O)O)c2)N1 ZINC000587790040 HH Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(=O)O ZINC000587790275 HH Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(=O)O ZINC000587790276 HH Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(=O)O ZINC000587790277 HH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(=O)O ZINC000587790278 HH Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587790283 HH Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587790284 HH Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587790285 HH Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587790286 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)([C@H]2CCCNC2)N1 ZINC000587790352 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)([C@H]2CCCNC2)N1 ZINC000587790356 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)([C@@H]2CCCNC2)N1 ZINC000587790358 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)([C@@H]2CCCNC2)N1 ZINC000587790360 HH Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1=O ZINC000587790478 HH Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1=O ZINC000587790501 HH Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1=O ZINC000587790503 HH Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1=O ZINC000587790505 HH Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)N2NN=NC2=N1 ZINC000587790569 HH Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)N2NN=NC2=N1 ZINC000587790585 HH Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)N2NN=NC2=N1 ZINC000587790586 HH Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)N2NN=NC2=N1 ZINC000587790588 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 ZINC000587791007 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 ZINC000587791012 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 ZINC000587791014 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 ZINC000587791016 HH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791043 HH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791045 HH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791047 HH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791049 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3Cc4ccccc4N[C@H]32)N1 ZINC000587791275 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3Cc4ccccc4N[C@@H]32)N1 ZINC000587791276 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3Cc4ccccc4N[C@@H]32)N1 ZINC000587791277 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3Cc4ccccc4N[C@H]32)N1 ZINC000587791278 HH Annotated Anodyne COC(=O)COc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791360 HH Annotated Anodyne COC(=O)COc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791361 HH Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791362 HH Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791363 HH Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587791432 HH Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587791434 HH Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587791435 HH Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC(=O)O ZINC000587791437 HH Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791539 HH Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791543 HH Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791544 HH Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587791547 HH Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1=O ZINC000587791632 HH Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1=O ZINC000587791636 HH Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1=O ZINC000587791641 HH Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1=O ZINC000587791645 HH Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2c(C#N)cnn12 ZINC000587791745 HH Annotated Mild Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnc2c(C#N)cnn12 ZINC000587791746 HH Annotated Mild Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnc2c(C#N)cnn12 ZINC000587791747 HH Annotated Mild Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2c(C#N)cnn12 ZINC000587791748 HH Annotated Mild COc1ccc(OC)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1OC ZINC000587791819 HH Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3c(OC)ccc(OC)c3OC)nc2c1 ZINC000587791846 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N1CCCc3cccc2c31 ZINC000587791951 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N1CCCc3cccc2c31 ZINC000587791952 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N1CCCc3cccc2c31 ZINC000587791953 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N1CCCc3cccc2c31 ZINC000587791954 HH Annotated Anodyne CCC[C@]1(CC(=O)C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792325 HH Annotated Anodyne CCC[C@]1(CC(=O)C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792329 HH Annotated Anodyne CCC[C@@]1(CC(=O)C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792331 HH Annotated Anodyne CCC[C@@]1(CC(=O)C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792333 HH Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1OC ZINC000587792466 HH Annotated Bother Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc2c(C#N)cnn12 ZINC000587792510 HH Annotated Mild Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnc2c(C#N)cnn12 ZINC000587792511 HH Annotated Mild Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnc2c(C#N)cnn12 ZINC000587792512 HH Annotated Mild Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc2c(C#N)cnn12 ZINC000587792513 HH Annotated Mild CCOC(=O)CC[C@@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792690 HH Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792702 HH Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792704 HH Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792705 HH Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(=O)O ZINC000587792899 HH Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(=O)O ZINC000587792902 HH Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(=O)O ZINC000587792904 HH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(=O)O ZINC000587792906 HH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)O ZINC000587792907 HH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)O ZINC000587792909 HH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)O ZINC000587792911 HH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)O ZINC000587792913 HH Annotated Anodyne COCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587792914 HH Annotated Clean COCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587792917 HH Annotated Clean COCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587792918 HH Annotated Clean COCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587792920 HH Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3Cc4ccccc4N[C@H]32)N1 ZINC000587793015 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3Cc4ccccc4N[C@@H]32)N1 ZINC000587793018 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3Cc4ccccc4N[C@@H]32)N1 ZINC000587793020 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3Cc4ccccc4N[C@H]32)N1 ZINC000587793023 HH Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793352 HH Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793354 HH Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793356 HH Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793358 HH Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793359 HH Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793361 HH Annotated Anodyne COC(=O)COc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793548 HH Annotated Anodyne COC(=O)COc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793549 HH Annotated Anodyne COC(=O)COc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793550 HH Annotated Anodyne COC(=O)COc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793551 HH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793804 HH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793805 HH Annotated Anodyne CCOC(=O)c1nocc1[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793806 HH Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793807 HH Annotated Anodyne CC(C)OC1=C(OC(C)C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587793872 HH Annotated Mild CC(C)OC1=C(OC(C)C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587793873 HH Annotated Mild CC(C)OC1=C(OC(C)C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587793874 HH Annotated Mild CC(C)OC1=C(OC(C)C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587793875 HH Annotated Mild CCOC(=O)C(=O)[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793931 HH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793932 HH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793933 HH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793934 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793949 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793951 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793953 HH Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793954 HH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794014 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N1CCCc3cccc2c31 ZINC000587794060 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N1CCCc3cccc2c31 ZINC000587794061 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N1CCCc3cccc2c31 ZINC000587794063 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N1CCCc3cccc2c31 ZINC000587794066 HH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794109 HH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794111 HH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794112 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587794177 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587794180 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587794181 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587794183 HH Annotated Anodyne CCOC(=O)[C@]1([C@@H]2CCCCC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794250 HH Annotated Anodyne CCOC(=O)[C@]1([C@@H]2CCCCC2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794251 HH Annotated Anodyne CCOC(=O)[C@]1([C@H]2CCCCC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794252 HH Annotated Anodyne CCOC(=O)[C@]1([C@H]2CCCCC2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794253 HH Annotated Anodyne CCOc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587794312 HH Annotated Anodyne CCOc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587794313 HH Annotated Anodyne CCOc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587794314 HH Annotated Anodyne CCOc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587794315 HH Annotated Anodyne CCOc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587795071 HH Annotated Anodyne CCOc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587795073 HH Annotated Anodyne CCOc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587795075 HH Annotated Anodyne CCOc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587795080 HH Annotated Anodyne COC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587795087 HH Annotated Anodyne COC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587795090 HH Annotated Anodyne COC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587795093 HH Annotated Anodyne COC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587795095 HH Annotated Anodyne COc1ccc(OCC(=O)O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795148 HH Annotated Anodyne COc1ccc(OCC(=O)O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795150 HH Annotated Anodyne COc1ccc(OCC(=O)O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795152 HH Annotated Anodyne COc1ccc(OCC(=O)O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795155 HH Annotated Anodyne CCCC(=O)C[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795187 HH Annotated Anodyne CCCC(=O)C[C@@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795191 HH Annotated Anodyne CCCC(=O)C[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795194 HH Annotated Anodyne CCCC(=O)C[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795197 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587795668 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587795669 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587795670 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587795671 HH Annotated Anodyne COC(=O)COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795760 HH Annotated Anodyne COC(=O)COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795762 HH Annotated Anodyne COC(=O)COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795763 HH Annotated Anodyne COC(=O)COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795765 HH Annotated Anodyne C=C1NC(C)=Cn2nc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc21 ZINC000587796082 HH Annotated Anodyne C=C1NC(C)=Cn2nc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc21 ZINC000587796085 HH Annotated Anodyne C=C1NC(C)=Cn2nc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc21 ZINC000587796086 HH Annotated Anodyne C=C1NC(C)=Cn2nc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc21 ZINC000587796087 HH Annotated Anodyne CCOC(=O)CC[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796449 HH Annotated Anodyne CCOC(=O)CC[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796451 HH Annotated Anodyne CCOC(=O)CC[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796454 HH Annotated Anodyne CCOC(=O)CC[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796456 HH Annotated Anodyne COc1cc(OCC(=O)O)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796560 HH Annotated Anodyne COc1cc(OCC(=O)O)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796561 HH Annotated Anodyne COc1cc(OCC(=O)O)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796562 HH Annotated Anodyne COc1cc(OCC(=O)O)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796563 HH Annotated Anodyne C=C1NC(C)=Cn2nc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc21 ZINC000587796798 HH Annotated Anodyne C=C1NC(C)=Cn2nc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc21 ZINC000587796799 HH Annotated Anodyne C=C1NC(C)=Cn2nc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc21 ZINC000587796800 HH Annotated Anodyne C=C1NC(C)=Cn2nc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc21 ZINC000587796801 HH Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)n2ncnc2N1C ZINC000587796832 HH Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)n2ncnc2N1C ZINC000587796835 HH Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)n2ncnc2N1C ZINC000587796836 HH Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)n2ncnc2N1C ZINC000587796837 HH Annotated Anodyne COc1cc(OCC(=O)O)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796986 HH Annotated Anodyne COc1cc(OCC(=O)O)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796989 HH Annotated Anodyne COc1cc(OCC(=O)O)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796991 HH Annotated Anodyne COc1cc(OCC(=O)O)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796993 HH Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797036 HH Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797039 HH Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797041 HH Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797043 HH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)O ZINC000587797512 HH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)O ZINC000587797513 HH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)O ZINC000587797514 HH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)O ZINC000587797515 HH Annotated Anodyne CCCC(=O)C[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797559 HH Annotated Anodyne CCCC(=O)C[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797561 HH Annotated Anodyne CCCC(=O)C[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797563 HH Annotated Anodyne CCCC(=O)C[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797565 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797566 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797568 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797570 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797572 HH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797607 HH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797608 HH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797609 HH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797611 HH Annotated Anodyne CCC[C@]1(CC(=O)C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797623 HH Annotated Anodyne CCC[C@]1(CC(=O)C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797625 HH Annotated Anodyne COC(=O)COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587797626 HH Annotated Anodyne CCC[C@@]1(CC(=O)C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797627 HH Annotated Anodyne CCC[C@@]1(CC(=O)C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797628 HH Annotated Anodyne COC(=O)COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587797629 HH Annotated Anodyne COC(=O)COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587797631 HH Annotated Anodyne COC(=O)COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587797633 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587797852 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587797853 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587797854 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@]2(O)C(=O)Nc3ccccc32)N1 ZINC000587797855 HH Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797942 HH Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797943 HH Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797944 HH Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797945 HH Annotated Anodyne COC(=O)COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797971 HH Annotated Anodyne COC(=O)COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797974 HH Annotated Anodyne COC(=O)COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797977 HH Annotated Anodyne COC(=O)COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587797980 HH Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798064 HH Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798067 HH Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798070 HH Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798073 HH Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798075 HH Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798078 HH Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798117 HH Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798120 HH Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798122 HH Annotated Anodyne Cc1ccc(OCC(=O)O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798124 HH Annotated Anodyne COCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587798134 HH Annotated Clean COCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587798135 HH Annotated Clean COCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587798137 HH Annotated Clean COCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587798139 HH Annotated Clean COC(=O)COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798765 HH Annotated Anodyne COC(=O)COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798767 HH Annotated Anodyne COC(=O)COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798769 HH Annotated Anodyne COC(=O)COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798771 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 ZINC000587799019 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 ZINC000587799020 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 ZINC000587799021 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3cc(C(=O)O)ccc23)N1 ZINC000587799022 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N[C@H](Cc3ccccc3)C2)N1 ZINC000587799037 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N[C@H](Cc3ccccc3)C2)N1 ZINC000587799038 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N[C@@H](Cc3ccccc3)C2)N1 ZINC000587799039 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N[C@@H](Cc3ccccc3)C2)N1 ZINC000587799040 HH Annotated Anodyne COc1cc(C)c2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587799085 HH Annotated Anodyne COc1cc(C)c2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587799086 HH Annotated Anodyne COc1cc(C)c2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587799087 HH Annotated Anodyne COc1cc(C)c2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587799088 HH Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799089 HH Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799091 HH Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799093 HH Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799096 HH Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)N2NN=NC2=N1 ZINC000587799361 HH Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)N2NN=NC2=N1 ZINC000587799362 HH Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)N2NN=NC2=N1 ZINC000587799363 HH Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)N2NN=NC2=N1 ZINC000587799365 HH Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)n2ncnc2N1C ZINC000587799411 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N[C@H](Cc3ccccc3)C2)N1 ZINC000587799414 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N[C@H](Cc3ccccc3)C2)N1 ZINC000587799415 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N[C@@H](Cc3ccccc3)C2)N1 ZINC000587799416 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N[C@@H](Cc3ccccc3)C2)N1 ZINC000587799417 HH Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)n2ncnc2N1C ZINC000587799440 HH Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)n2ncnc2N1C ZINC000587799443 HH Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)n2ncnc2N1C ZINC000587799445 HH Annotated Anodyne COc1ccc(C=O)c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)c1OC ZINC000587799548 HH Annotated Clean CCOC(=O)[C@]1([C@@H]2CCCCC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799592 HH Annotated Anodyne CCOC(=O)[C@]1([C@@H]2CCCCC2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799593 HH Annotated Anodyne CCOC(=O)[C@]1([C@H]2CCCCC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799594 HH Annotated Anodyne CCOC(=O)[C@]1([C@H]2CCCCC2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799595 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)([C@H]2CCCNC2)N1 ZINC000587799818 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)([C@H]2CCCNC2)N1 ZINC000587799819 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)([C@@H]2CCCNC2)N1 ZINC000587799820 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)([C@@H]2CCCNC2)N1 ZINC000587799821 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N[C@H](c3ccccc3)C2)N1 ZINC000587799828 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N[C@@H](c3ccccc3)C2)N1 ZINC000587799829 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N[C@H](c3ccccc3)C2)N1 ZINC000587799830 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N[C@@H](c3ccccc3)C2)N1 ZINC000587799831 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)OCC(=O)N3)N1 ZINC000587799836 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)OCC(=O)N3)N1 ZINC000587799844 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)OCC(=O)N3)N1 ZINC000587799847 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)OCC(=O)N3)N1 ZINC000587799848 HH Annotated Anodyne COc1cc(C)c2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587799865 HH Annotated Anodyne COc1cc(C)c2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587799866 HH Annotated Anodyne COc1cc(C)c2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587799868 HH Annotated Anodyne COc1cc(C)c2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587799870 HH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799936 HH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799937 HH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799938 HH Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799939 HH Annotated Anodyne CCOC(=O)CC[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799960 HH Annotated Anodyne CCOC(=O)CC[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799961 HH Annotated Anodyne CCOC(=O)CC[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799962 HH Annotated Anodyne CCOC(=O)CC[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799963 HH Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800692 HH Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800694 HH Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800695 HH Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800697 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800826 HH Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800827 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800828 HH Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800829 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2c[nH]c3ccccc23)N1 ZINC000587801607 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2c[nH]c3ccccc23)N1 ZINC000587801608 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2c[nH]c3ccccc23)N1 ZINC000587801609 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2c[nH]c3ccccc23)N1 ZINC000587801610 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2c[nH]c3ccccc23)N1 ZINC000587801700 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2c[nH]c3ccccc23)N1 ZINC000587801702 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2c[nH]c3ccccc23)N1 ZINC000587801704 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2c[nH]c3ccccc23)N1 ZINC000587801706 HH Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c2cc(O)nc(O)c12 ZINC000587802327 HH Annotated Clean Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c2cc(O)nc(O)c12 ZINC000587802328 HH Annotated Clean Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c2cc(O)nc(O)c12 ZINC000587802329 HH Annotated Clean Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c2cc(O)nc(O)c12 ZINC000587802330 HH Annotated Clean Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c2cc(O)nc(O)c12 ZINC000587802567 HH Annotated Clean Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c2cc(O)nc(O)c12 ZINC000587802568 HH Annotated Clean Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c2cc(O)nc(O)c12 ZINC000587802569 HH Annotated Clean Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c2cc(O)nc(O)c12 ZINC000587802570 HH Annotated Clean COC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587803419 HH Annotated Clean COC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587803420 HH Annotated Clean COC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587803422 HH Annotated Clean COC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587803423 HH Annotated Clean COC(=O)c1ccc(C=O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587803502 HH Annotated Anodyne COC(=O)c1ccc(C=O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587803504 HH Annotated Anodyne COC(=O)c1ccc(C=O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587803662 HH Annotated Anodyne COC(=O)c1ccc(C=O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587803663 HH Annotated Anodyne COC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587803720 HH Annotated Clean COC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587803721 HH Annotated Clean COC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587803722 HH Annotated Clean COC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587803724 HH Annotated Clean COC(=O)C[C@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804124 HH Annotated Anodyne COC(=O)C[C@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804125 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804126 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804127 HH Annotated Anodyne COC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587804248 HH Annotated Anodyne COC(=O)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587804250 HH Annotated Anodyne COC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587804251 HH Annotated Anodyne COC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587804252 HH Annotated Anodyne COc1cccc(C[C@@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587804712 HH Annotated Anodyne COc1cccc(C[C@@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587804752 HH Annotated Anodyne COc1cccc(C[C@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587804755 HH Annotated Anodyne COc1cccc(C[C@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587804757 HH Annotated Anodyne C=CC[C@@H]1C(=O)C[C@H](C(=O)OC)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587805082 HH Annotated Mild C=CC[C@@H]1C(=O)C[C@H](C(=O)OC)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587805086 HH Annotated Mild C=CC[C@@H]1C(=O)C[C@H](C(=O)OC)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587805088 HH Annotated Mild C=CC[C@@H]1C(=O)C[C@H](C(=O)OC)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587805090 HH Annotated Mild COC(=O)Cc1ccc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587805187 HH Annotated Clean COC(=O)Cc1ccc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587805188 HH Annotated Clean COc1cc(C(=O)O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587805345 HH Annotated Anodyne COc1cc(C(=O)O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587805347 HH Annotated Anodyne COc1cc(C(=O)O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587805348 HH Annotated Anodyne COc1cc(C(=O)O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587805349 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805451 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805452 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805453 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805454 HH Annotated Anodyne COC(=O)Cc1ccc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587805477 HH Annotated Clean COC(=O)Cc1ccc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587805478 HH Annotated Clean COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C=O)c1 ZINC000587805525 HH Annotated Anodyne COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C=O)c1 ZINC000587805527 HH Annotated Anodyne COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C=O)c1 ZINC000587805529 HH Annotated Anodyne COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C=O)c1 ZINC000587805530 HH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805551 HH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805553 HH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805555 HH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805557 HH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(O)c1O ZINC000587805876 HH Annotated Clean COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(O)c1O ZINC000587805879 HH Annotated Clean COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(O)c1O ZINC000587805882 HH Annotated Clean COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c(O)c1O ZINC000587805885 HH Annotated Clean COC(=O)[C@@H]1c2ccccc2C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806110 HH Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806112 HH Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806114 HH Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806115 HH Annotated Anodyne COc1cc(C(=O)O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806210 HH Annotated Anodyne COc1cc(C(=O)O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806211 HH Annotated Anodyne COc1cc(C(=O)O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806212 HH Annotated Anodyne COc1cc(C(=O)O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806213 HH Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)O)c1OC ZINC000587806234 HH Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)O)c1OC ZINC000587806235 HH Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)O)c1OC ZINC000587806236 HH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(=O)O)c1OC ZINC000587806237 HH Annotated Anodyne COc1ccc([C@@]2(COC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806312 HH Annotated Anodyne COc1ccc([C@@]2(COC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806313 HH Annotated Anodyne COc1ccc([C@]2(COC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806314 HH Annotated Anodyne COc1ccc([C@]2(COC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806315 HH Annotated Anodyne COC(=O)C[C@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806669 HH Annotated Anodyne COC(=O)C[C@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806671 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806674 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806676 HH Annotated Anodyne COc1ccccc1C[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807036 HH Annotated Anodyne COc1ccccc1C[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807038 HH Annotated Anodyne COc1ccccc1C[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807040 HH Annotated Anodyne COc1ccccc1C[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807042 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807220 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807223 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807225 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807227 HH Annotated Anodyne COC(=O)c1ccc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587807246 HH Annotated Clean COC(=O)c1ccc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587807248 HH Annotated Clean COC(=O)c1ccc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587807250 HH Annotated Clean COC(=O)c1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587807252 HH Annotated Clean COC(=O)C[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807279 HH Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807280 HH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807281 HH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807282 HH Annotated Anodyne COc1cc(OC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C=O ZINC000587807349 HH Annotated Clean COc1cc(OC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C=O ZINC000587807354 HH Annotated Clean COc1cc(OC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C=O ZINC000587807355 HH Annotated Clean COc1cc(OC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1C=O ZINC000587807358 HH Annotated Clean COc1ccc([C@@]2(COC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807684 HH Annotated Anodyne COc1ccc([C@@]2(COC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807685 HH Annotated Anodyne COc1ccc([C@]2(COC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807686 HH Annotated Anodyne COc1ccc([C@]2(COC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807688 HH Annotated Anodyne CCOC(=O)[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807694 HH Annotated Anodyne CCOC(=O)[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807695 HH Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807696 HH Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807697 HH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(O)c1O ZINC000587807790 HH Annotated Clean COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(O)c1O ZINC000587807791 HH Annotated Clean COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(O)c1O ZINC000587807792 HH Annotated Clean COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c(O)c1O ZINC000587807793 HH Annotated Clean COC(=O)[C@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808588 HH Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808592 HH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808596 HH Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808600 HH Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808633 HH Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808635 HH Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808637 HH Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587808639 HH Annotated Anodyne CCOC(=O)[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808757 HH Annotated Anodyne CCOC(=O)[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808760 HH Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808763 HH Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808766 HH Annotated Anodyne COC(=O)Cc1ccc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808767 HH Annotated Clean COC(=O)Cc1ccc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808770 HH Annotated Clean COC(=O)Cc1ccc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808774 HH Annotated Clean COC(=O)Cc1ccc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587808778 HH Annotated Clean COc1cc(OC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C=O ZINC000587808902 HH Annotated Clean COc1cc(OC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C=O ZINC000587808903 HH Annotated Clean COc1cc(OC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C=O ZINC000587808904 HH Annotated Clean COc1cc(OC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1C=O ZINC000587808905 HH Annotated Clean C=CC[C@@H]1C(=O)C[C@H](C(=O)OC)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809015 HH Annotated Mild C=CC[C@@H]1C(=O)C[C@H](C(=O)OC)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809019 HH Annotated Mild C=CC[C@@H]1C(=O)C[C@H](C(=O)OC)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809021 HH Annotated Mild C=CC[C@@H]1C(=O)C[C@H](C(=O)OC)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809025 HH Annotated Mild COC(=O)c1ccc(C=O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587809109 HH Annotated Anodyne COC(=O)c1ccc(C=O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587809112 HH Annotated Anodyne COC(=O)c1ccc(C=O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587809114 HH Annotated Anodyne COC(=O)c1ccc(C=O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587809117 HH Annotated Anodyne COc1ccccc1C[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809257 HH Annotated Anodyne COc1ccccc1C[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809259 HH Annotated Anodyne COc1ccccc1C[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809261 HH Annotated Anodyne COc1ccccc1C[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809263 HH Annotated Anodyne COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C=O)c1 ZINC000587809631 HH Annotated Anodyne COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C=O)c1 ZINC000587809636 HH Annotated Anodyne COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C=O)c1 ZINC000587809639 HH Annotated Anodyne COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C=O)c1 ZINC000587809643 HH Annotated Anodyne COC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587810731 HH Annotated Anodyne COC(=O)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587810732 HH Annotated Anodyne COC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587810734 HH Annotated Anodyne COC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587810736 HH Annotated Anodyne COc1cccc(C[C@@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811170 HH Annotated Anodyne COc1cccc(C[C@@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811171 HH Annotated Anodyne COc1cccc(C[C@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811173 HH Annotated Anodyne COc1cccc(C[C@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811174 HH Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)O)c1OC ZINC000587811355 HH Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)O)c1OC ZINC000587811356 HH Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)O)c1OC ZINC000587811357 HH Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(=O)O)c1OC ZINC000587811358 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811911 HH Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811913 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811915 HH Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811917 HH Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811928 HH Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811930 HH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811932 HH Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811934 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812369 HH Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812371 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812375 HH Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812378 HH Annotated Anodyne COC(=O)c1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812472 HH Annotated Clean COC(=O)c1ccc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812473 HH Annotated Clean COC(=O)c1ccc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812475 HH Annotated Clean COC(=O)c1ccc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587812477 HH Annotated Clean Cc1ccc([C@@]2(CC(=O)C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587820578 HH Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587820579 HH Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587820580 HH Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587820581 HH Annotated Anodyne CC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O ZINC000587822716 HH Annotated Clean CC(=O)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O ZINC000587822717 HH Annotated Clean CC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O ZINC000587822718 HH Annotated Clean CC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1O ZINC000587822719 HH Annotated Clean CC(=O)[C@@H]1C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822799 HH Annotated Anodyne CC(=O)[C@@H]1C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822807 HH Annotated Anodyne CC(=O)[C@@H]1C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822809 HH Annotated Anodyne CC(=O)[C@@H]1C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822811 HH Annotated Anodyne CC(=O)[C@@H]1C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822868 HH Annotated Anodyne CC(=O)[C@@H]1C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822870 HH Annotated Anodyne CC(=O)[C@@H]1C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822871 HH Annotated Anodyne CC(=O)[C@@H]1C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822873 HH Annotated Anodyne CC(=O)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O ZINC000587824279 HH Annotated Clean CC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O ZINC000587824280 HH Annotated Clean CC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O ZINC000587824281 HH Annotated Clean CC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1O ZINC000587824282 HH Annotated Clean Cc1cc(C)c([C@@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587825124 HH Annotated Anodyne Cc1cc(C)c([C@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587825126 HH Annotated Anodyne Cc1cc(C)c([C@@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587825127 HH Annotated Anodyne Cc1cc(C)c([C@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587825129 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(CCCC(=O)O)(CCCC(=O)O)N1 ZINC000587825242 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(CCCC(=O)O)(CCCC(=O)O)N1 ZINC000587825243 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587825735 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587825737 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587825738 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587825739 HH Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825790 HH Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825792 HH Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825793 HH Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587825794 HH Annotated Anodyne Cc1cc(C)c([C@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587826088 HH Annotated Anodyne Cc1cc(C)c([C@@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587826089 HH Annotated Anodyne Cc1cc(C)c([C@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587826091 HH Annotated Anodyne Cc1cc(C)c([C@@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587826092 HH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccco2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826187 HH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccco2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826188 HH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccco2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826189 HH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccco2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587826190 HH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccco2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826191 HH Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccco2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826192 HH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccco2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826193 HH Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccco2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826194 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC(=O)c3c(O)ccc(O)c32)N1 ZINC000587826390 HH Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC(=O)c3c(O)ccc(O)c32)N1 ZINC000587826397 HH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC(=O)c3c(O)ccc(O)c32)N1 ZINC000587826398 HH Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC(=O)c3c(O)ccc(O)c32)N1 ZINC000587826400 HH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C ZINC000587827022 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C ZINC000587827023 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C ZINC000587827024 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C ZINC000587827025 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587827317 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587827319 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587827323 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587827325 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(=O)O)N1 ZINC000587827669 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(=O)O)N1 ZINC000587827670 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(=O)O)N1 ZINC000587827671 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(=O)O)N1 ZINC000587827672 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(=O)O)N1 ZINC000587828766 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(=O)O)N1 ZINC000587828769 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(=O)O)N1 ZINC000587828773 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(=O)O)N1 ZINC000587828777 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C ZINC000587829106 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C ZINC000587829108 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C ZINC000587829111 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C)CC[C@@]2(C(=O)O)C1(C)C ZINC000587829113 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C ZINC000587829193 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C ZINC000587829195 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C ZINC000587829197 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C ZINC000587829199 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C ZINC000587829547 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C ZINC000587829550 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C ZINC000587829553 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@@]2(C)C1(C)C ZINC000587829556 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(CCCC(=O)O)(CCCC(=O)O)N1 ZINC000587829590 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(CCCC(=O)O)(CCCC(=O)O)N1 ZINC000587829591 HH Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829592 HH Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829593 HH Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829594 HH Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587829595 HH Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587830624 HH Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587830625 HH Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587830626 HH Annotated Anodyne Cc1ccc(C(=O)C[C@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587830627 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2[C@H](O)C(=O)O)N1 ZINC000587830970 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 ZINC000587830971 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2[C@H](O)C(=O)O)N1 ZINC000587830972 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 ZINC000587830973 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2[C@H](O)C(=O)O)N1 ZINC000587830974 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 ZINC000587830975 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 ZINC000587830976 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2[C@H](O)C(=O)O)N1 ZINC000587830977 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccoc1CC[C@H]2CC(=O)O ZINC000587831606 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccoc1CC[C@H]2CC(=O)O ZINC000587831607 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccoc1CC[C@@H]2CC(=O)O ZINC000587831608 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccoc1CC[C@@H]2CC(=O)O ZINC000587831609 HH Annotated Anodyne COC[C@@]1(CCCCC2OCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832729 HH Annotated Anodyne COC[C@]1(CCCCC2OCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832734 HH Annotated Anodyne COC[C@@]1(CCCCC2OCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832736 HH Annotated Anodyne COC[C@]1(CCCCC2OCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832738 HH Annotated Anodyne CC[C@]1(C2(C(=O)OC)CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587832787 HH Annotated Anodyne CC[C@]1(C2(C(=O)OC)CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587832789 HH Annotated Anodyne CC[C@@]1(C2(C(=O)OC)CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587832790 HH Annotated Anodyne CC[C@@]1(C2(C(=O)OC)CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587832791 HH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c1OCCO2 ZINC000587832805 HH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c1OCCO2 ZINC000587832811 HH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c1OCCO2 ZINC000587832813 HH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c1OCCO2 ZINC000587832815 HH Annotated Anodyne COc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCO2 ZINC000587833051 HH Annotated Anodyne COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCO2 ZINC000587833053 HH Annotated Anodyne COc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCO2 ZINC000587833055 HH Annotated Anodyne COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCO2 ZINC000587833056 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2COC(=O)C2)N1 ZINC000587833313 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2COC(=O)C2)N1 ZINC000587833314 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2COC(=O)C2)N1 ZINC000587833315 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2COC(=O)C2)N1 ZINC000587833316 HH Annotated Anodyne CCOC(=O)C[C@]1(C[C@H]2CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833689 HH Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H]2CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833699 HH Annotated Anodyne CCOC(=O)C[C@]1(C[C@H]2CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833700 HH Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H]2CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833702 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC2OCCO2)N1 ZINC000587833705 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCC2OCCO2)N1 ZINC000587833717 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC2OCCO2)N1 ZINC000587833719 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCC2OCCO2)N1 ZINC000587833721 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)OC(C)(C)C)(C2=COCC2)N1 ZINC000587833773 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)OC(C)(C)C)(C2=COCC2)N1 ZINC000587833786 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)OC(C)(C)C)(C2=COCC2)N1 ZINC000587833787 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)OC(C)(C)C)(C2=COCC2)N1 ZINC000587833789 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)O)cc3c2OCOC3)N1 ZINC000587833903 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)O)cc3c2OCOC3)N1 ZINC000587833904 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)O)cc3c2OCOC3)N1 ZINC000587833905 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)O)cc3c2OCOC3)N1 ZINC000587833906 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC2OCCO2)N1 ZINC000587834093 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCC2OCCO2)N1 ZINC000587834094 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC2OCCO2)N1 ZINC000587834096 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCC2OCCO2)N1 ZINC000587834097 HH Annotated Anodyne CCOC(=O)C[C@@]1(C2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834235 HH Annotated Anodyne CCOC(=O)C[C@@]1(C2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834236 HH Annotated Anodyne CCOC(=O)C[C@]1(C2CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834237 HH Annotated Anodyne CCOC(=O)C[C@]1(C2CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834238 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2[C@H](O)C(=O)O)N1 ZINC000587834313 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 ZINC000587834315 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2[C@H](O)C(=O)O)N1 ZINC000587834317 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 ZINC000587834318 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2[C@H](O)C(=O)O)N1 ZINC000587834320 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 ZINC000587834322 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2[C@@H](O)C(=O)O)N1 ZINC000587834324 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2[C@H](O)C(=O)O)N1 ZINC000587834325 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC(=O)c3c(O)ccc(O)c32)N1 ZINC000587834361 HH Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC(=O)c3c(O)ccc(O)c32)N1 ZINC000587834363 HH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC(=O)c3c(O)ccc(O)c32)N1 ZINC000587834366 HH Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC(=O)c3c(O)ccc(O)c32)N1 ZINC000587834368 HH Annotated Mild CCOC(=O)C[C@]1(C[C@H]2CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834370 HH Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H]2CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834372 HH Annotated Anodyne CCOC(=O)C[C@]1(C[C@H]2CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834373 HH Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H]2CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834375 HH Annotated Anodyne CC[C@]1(C2(C(=O)OC)CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834501 HH Annotated Anodyne CC[C@]1(C2(C(=O)OC)CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834502 HH Annotated Anodyne CC[C@@]1(C2(C(=O)OC)CCOCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834503 HH Annotated Anodyne CC[C@@]1(C2(C(=O)OC)CCOCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834504 HH Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c1OCCO2 ZINC000587834513 HH Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c1OCCO2 ZINC000587834514 HH Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c1OCCO2 ZINC000587834516 HH Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c1OCCO2 ZINC000587834518 HH Annotated Anodyne CCOC(=O)C[C@@]1(C2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834536 HH Annotated Anodyne CCOC(=O)C[C@@]1(C2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834538 HH Annotated Anodyne CCOC(=O)C[C@]1(C2CCOCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834540 HH Annotated Anodyne CCOC(=O)C[C@]1(C2CCOCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834542 HH Annotated Anodyne COc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCO2 ZINC000587834675 HH Annotated Anodyne COc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCO2 ZINC000587834677 HH Annotated Anodyne COc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCO2 ZINC000587834799 HH Annotated Anodyne COc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCO2 ZINC000587834800 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)OC(C)(C)C)(C2=COCC2)N1 ZINC000587834927 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)OC(C)(C)C)(C2=COCC2)N1 ZINC000587834928 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)OC(C)(C)C)(C2=COCC2)N1 ZINC000587834929 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)OC(C)(C)C)(C2=COCC2)N1 ZINC000587834930 HH Annotated Anodyne COC[C@@]1(CCCCC2OCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835689 HH Annotated Anodyne COC[C@]1(CCCCC2OCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835690 HH Annotated Anodyne COC[C@@]1(CCCCC2OCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835691 HH Annotated Anodyne COC[C@]1(CCCCC2OCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835692 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccoc1CC[C@H]2CC(=O)O ZINC000587836050 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccoc1CC[C@H]2CC(=O)O ZINC000587836054 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccoc1CC[C@@H]2CC(=O)O ZINC000587836057 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccoc1CC[C@@H]2CC(=O)O ZINC000587836059 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2COC(=O)C2)N1 ZINC000587836339 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2COC(=O)C2)N1 ZINC000587836340 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2COC(=O)C2)N1 ZINC000587836341 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2COC(=O)C2)N1 ZINC000587836342 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O[C@@H]3CCOC3=O)c2)N1 ZINC000587836500 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O[C@H]3CCOC3=O)c2)N1 ZINC000587836502 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O[C@@H]3CCOC3=O)c2)N1 ZINC000587836504 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O[C@H]3CCOC3=O)c2)N1 ZINC000587836506 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)O)cc3c2OCOC3)N1 ZINC000587836723 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)O)cc3c2OCOC3)N1 ZINC000587836724 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc4c(cc32)OCO4)N1 ZINC000587836775 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc4c(cc32)OCO4)N1 ZINC000587836776 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc4c(cc32)OCO4)N1 ZINC000587836777 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc4c(cc32)OCO4)N1 ZINC000587836778 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)O)cc3c2OCOC3)N1 ZINC000587836825 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)O)cc3c2OCOC3)N1 ZINC000587836826 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O[C@@H]3CCOC3=O)c2)N1 ZINC000587837025 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O[C@H]3CCOC3=O)c2)N1 ZINC000587837026 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O[C@H]3CCOC3=O)c2)N1 ZINC000587837027 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O[C@@H]3CCOC3=O)c2)N1 ZINC000587837028 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3cc(C(=O)O)ccc32)N1 ZINC000587837195 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3cc(C(=O)O)ccc32)N1 ZINC000587837196 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3cc(C(=O)O)ccc32)N1 ZINC000587837197 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3cc(C(=O)O)ccc32)N1 ZINC000587837198 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc4c(cc32)OCO4)N1 ZINC000587837391 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc4c(cc32)OCO4)N1 ZINC000587837392 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc4c(cc32)OCO4)N1 ZINC000587837393 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc4c(cc32)OCO4)N1 ZINC000587837394 HH Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@H]([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)O2 ZINC000587837553 HH Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@H]([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)O2 ZINC000587837554 HH Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@H]([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)O2 ZINC000587837555 HH Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@H]([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)O2 ZINC000587837556 HH Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 ZINC000587837659 HH Annotated Reactive COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 ZINC000587837660 HH Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 ZINC000587837661 HH Annotated Reactive COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 ZINC000587837662 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3ccccc32)N1 ZINC000587838149 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3ccccc32)N1 ZINC000587838150 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)Oc3ccccc32)N1 ZINC000587838151 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)Oc3ccccc32)N1 ZINC000587838152 HH Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@H]([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)O2 ZINC000587838227 HH Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@H]([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)O2 ZINC000587838228 HH Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@H]([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)O2 ZINC000587838229 HH Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@H]([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)O2 ZINC000587838230 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3cc(C(=O)O)ccc32)N1 ZINC000587838597 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3cc(C(=O)O)ccc32)N1 ZINC000587838598 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3cc(C(=O)O)ccc32)N1 ZINC000587838599 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3cc(C(=O)O)ccc32)N1 ZINC000587838600 HH Annotated Anodyne COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 ZINC000587838767 HH Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 ZINC000587838768 HH Annotated Reactive COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 ZINC000587838769 HH Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 ZINC000587838770 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587839545 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587839552 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587839554 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587839555 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587839597 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587839599 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587839601 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(NS(C)(=O)=O)c2)N1 ZINC000587839602 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=COc1ccccc12 ZINC000587840052 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=COc1ccccc12 ZINC000587840053 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=COc1ccccc12 ZINC000587840054 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=COc1ccccc12 ZINC000587840055 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2NS(C)(=O)=O)N1 ZINC000587840154 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2NS(C)(=O)=O)N1 ZINC000587840155 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2NS(C)(=O)=O)N1 ZINC000587840156 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2NS(C)(=O)=O)N1 ZINC000587840157 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840329 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840330 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840331 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840333 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840906 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840907 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840908 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(NS(C)(=O)=O)cc2)N1 ZINC000587840909 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCS(=O)(=O)c3ccccc32)N1 ZINC000587842422 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCS(=O)(=O)c3ccccc32)N1 ZINC000587842423 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCS(=O)(=O)c3ccccc32)N1 ZINC000587842424 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCS(=O)(=O)c3ccccc32)N1 ZINC000587842425 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2NS(C)(=O)=O)N1 ZINC000587842929 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2NS(C)(=O)=O)N1 ZINC000587842930 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2NS(C)(=O)=O)N1 ZINC000587842932 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2NS(C)(=O)=O)N1 ZINC000587842933 HH Annotated Anodyne C=CN1CC[C@H]([C@]2(CSC)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587843592 HH Annotated Anodyne C=CN1CC[C@H]([C@@]2(CSC)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587843595 HH Annotated Anodyne C=CN1CC[C@H]([C@@]2(CSC)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587843598 HH Annotated Anodyne C=CN1CC[C@H]([C@]2(CSC)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587843600 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3ccccc32)N1 ZINC000587843806 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3ccccc32)N1 ZINC000587843808 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)Oc3ccccc32)N1 ZINC000587843810 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)Oc3ccccc32)N1 ZINC000587843813 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=COc1ccccc12 ZINC000587843965 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=COc1ccccc12 ZINC000587843969 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=COc1ccccc12 ZINC000587843971 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=COc1ccccc12 ZINC000587843974 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(N)=O)cs2)N1 ZINC000587844470 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(N)=O)cs2)N1 ZINC000587844471 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(N)=O)cs2)N1 ZINC000587844472 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(N)=O)cs2)N1 ZINC000587844473 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3ccccc32)N1 ZINC000587844788 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCS(=O)(=O)c3ccccc32)N1 ZINC000587844795 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3ccccc32)N1 ZINC000587844796 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCS(=O)(=O)c3ccccc32)N1 ZINC000587844798 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCNCC3)s2)N1 ZINC000587844870 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCNCC3)s2)N1 ZINC000587844871 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCNCC3)s2)N1 ZINC000587844872 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCNCC3)s2)N1 ZINC000587844873 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(O)c(O)c2)N1 ZINC000587845532 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(O)c(O)c2)N1 ZINC000587845534 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSC#N)(c2ccc(O)c(O)c2)N1 ZINC000587845535 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSC#N)(c2ccc(O)c(O)c2)N1 ZINC000587845536 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCS(=O)(=O)c3ccccc32)N1 ZINC000587846593 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCS(=O)(=O)c3ccccc32)N1 ZINC000587846595 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCS(=O)(=O)c3ccccc32)N1 ZINC000587846596 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCS(=O)(=O)c3ccccc32)N1 ZINC000587846598 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(O)c(O)c2)N1 ZINC000587846701 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(O)c(O)c2)N1 ZINC000587846703 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSC#N)(c2ccc(O)c(O)c2)N1 ZINC000587846705 HH Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSC#N)(c2ccc(O)c(O)c2)N1 ZINC000587846706 HH Annotated Reactive C=CN1CC[C@H]([C@]2(CSC)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587847664 HH Annotated Anodyne C=CN1CC[C@H]([C@@]2(CSC)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587847665 HH Annotated Anodyne C=CN1CC[C@H]([C@@]2(CSC)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587847666 HH Annotated Anodyne C=CN1CC[C@H]([C@]2(CSC)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587847668 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CS(=O)(=O)c2ccccc2)N1 ZINC000587847720 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CS(=O)(=O)c2ccccc2)N1 ZINC000587847721 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CS(=O)(=O)c2ccccc2)N1 ZINC000587847722 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CS(=O)(=O)c2ccccc2)N1 ZINC000587847723 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3ccccc32)N1 ZINC000587847848 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCS(=O)(=O)c3ccccc32)N1 ZINC000587847849 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3ccccc32)N1 ZINC000587847850 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCS(=O)(=O)c3ccccc32)N1 ZINC000587847851 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(N)=O)cs2)N1 ZINC000587847882 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(N)=O)cs2)N1 ZINC000587847883 HH Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(N)=O)cs2)N1 ZINC000587847884 HH Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(N)=O)cs2)N1 ZINC000587847885 HH Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848317 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848320 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848323 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587848327 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCNCC3)s2)N1 ZINC000587849286 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCNCC3)s2)N1 ZINC000587849287 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCNCC3)s2)N1 ZINC000587849288 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCNCC3)s2)N1 ZINC000587849289 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587849418 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587849419 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587849420 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(C)(=O)=O)cc2)N1 ZINC000587849421 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)s2)N1 ZINC000587849778 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)s2)N1 ZINC000587849779 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)s2)N1 ZINC000587849780 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)s2)N1 ZINC000587849781 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CS(=O)(=O)c2ccccc2)N1 ZINC000587850367 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CS(=O)(=O)c2ccccc2)N1 ZINC000587850368 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CS(=O)(=O)c2ccccc2)N1 ZINC000587850370 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CS(=O)(=O)c2ccccc2)N1 ZINC000587850372 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2c[nH]nc2N)N1 ZINC000587850657 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2c[nH]nc2N)N1 ZINC000587850664 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2c[nH]nc2N)N1 ZINC000587850665 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2c[nH]nc2N)N1 ZINC000587850666 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2c[nH]nc2N)N1 ZINC000587851187 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2c[nH]nc2N)N1 ZINC000587851188 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2c[nH]nc2N)N1 ZINC000587851191 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2c[nH]nc2N)N1 ZINC000587851193 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2nccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851237 HH Annotated Anodyne CCOC(=O)C[C@]1(c2nccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851245 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2nccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851247 HH Annotated Anodyne CCOC(=O)C[C@]1(c2nccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587851249 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)s2)N1 ZINC000587851493 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)s2)N1 ZINC000587851494 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)s2)N1 ZINC000587851495 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)s2)N1 ZINC000587851496 HH Annotated Anodyne COc1nc(N(C)C)sc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852098 HH Annotated Anodyne COc1nc(N(C)C)sc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852099 HH Annotated Anodyne COc1nc(N(C)C)sc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852100 HH Annotated Anodyne COc1nc(N(C)C)sc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852101 HH Annotated Anodyne Cc1nnc(N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)s1 ZINC000587852758 HH Annotated Anodyne Cc1nnc(N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)s1 ZINC000587852759 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCOCC3)s2)N1 ZINC000587853000 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCOCC3)s2)N1 ZINC000587853001 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCOCC3)s2)N1 ZINC000587853002 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCOCC3)s2)N1 ZINC000587853003 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2nccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853498 HH Annotated Anodyne CCOC(=O)C[C@]1(c2nccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853499 HH Annotated Anodyne CCOC(=O)C[C@@]1(c2nccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853500 HH Annotated Anodyne CCOC(=O)C[C@]1(c2nccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853501 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(c2ccco2)N1 ZINC000587854468 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(c2ccco2)N1 ZINC000587854471 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NC(=O)CS2)(c2ccco2)N1 ZINC000587854472 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NC(=O)CS2)(c2ccco2)N1 ZINC000587854473 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3s2)(C(O)O)N1 ZINC000587855457 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3s2)(C(O)O)N1 ZINC000587855460 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3s2)(C(O)O)N1 ZINC000587855463 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3s2)(C(O)O)N1 ZINC000587855466 HH Annotated Anodyne COc1nc(N(C)C)sc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856636 HH Annotated Anodyne COc1nc(N(C)C)sc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856637 HH Annotated Anodyne COc1nc(N(C)C)sc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856638 HH Annotated Anodyne COc1nc(N(C)C)sc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856639 HH Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587856892 HH Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587856893 HH Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587856895 HH Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587856897 HH Annotated Anodyne Cc1nnc(N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)s1 ZINC000587857302 HH Annotated Anodyne Cc1nnc(N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)s1 ZINC000587857303 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCOCC3)s2)N1 ZINC000587857318 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCOCC3)s2)N1 ZINC000587857319 HH Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCOCC3)s2)N1 ZINC000587857320 HH Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCOCC3)s2)N1 ZINC000587857321 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3s2)(C(O)O)N1 ZINC000587858040 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3s2)(C(O)O)N1 ZINC000587858041 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3s2)(C(O)O)N1 ZINC000587858043 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3s2)(C(O)O)N1 ZINC000587858045 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)NCc1ccco1 ZINC000587858134 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CNC(=O)c1ccco1 ZINC000587858344 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)Nc1ccccn1 ZINC000587858510 HH Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858860 HH Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587858862 HH Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587859017 HH Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587859018 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCN1CCN(C)CC1 ZINC000587859296 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NC(=O)CS2)(c2ccco2)N1 ZINC000587859394 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NC(=O)CS2)(c2ccco2)N1 ZINC000587859395 HH Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(c2ccco2)N1 ZINC000587859397 HH Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(c2ccco2)N1 ZINC000587859398 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(C)c(C)c1[N+](=O)[O-] ZINC000587859586 HH Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)CN1CCOCC1 ZINC000587859660 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)CN1CCOCC1 ZINC000587859661 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCc2nncn2C1 ZINC000587859684 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCc2nncn2C1 ZINC000587859707 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(NN)c2ccccc12 ZINC000587859727 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000587859774 HH Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1S(N)(=O)=O ZINC000587859839 HH Annotated Anodyne CCCn1c(O)nc(-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1=O ZINC000587859860 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000587859970 HH Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCN1C(=O)C=CC1=O ZINC000587860074 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000587860126 HH Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCCCN(C)C ZINC000587860132 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000587860262 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000587860263 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000587860264 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000587860265 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1CCN2CCC[C@H]2C1 ZINC000587860282 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1CCN2CCC[C@@H]2C1 ZINC000587860284 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc(C(=O)OC)cn1 ZINC000587860288 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000587860309 HH Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(S(N)(=O)=O)c1 ZINC000587860446 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000587860474 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1n[nH]cc1Br ZINC000587860783 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000587861198 HH Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000587861199 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000587861771 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)Nc1ccc(F)cc1 ZINC000587861954 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNC(=O)c1cccc(F)c1 ZINC000587861956 HH Annotated Anodyne COc1ccc(NC(=O)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 ZINC000587862196 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNC(=O)c1ccccc1 ZINC000587862318 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cncc(NC(C)=O)c1 ZINC000587862384 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc([N+](=O)[O-])c1O ZINC000587862432 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 ZINC000587862466 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 ZINC000587862467 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nnc(O)c2ccccc12 ZINC000587862550 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587862575 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1nc([N+](=O)[O-])cc1C ZINC000587862594 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1nc([N+](=O)[O-])cc1C ZINC000587862595 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1nc([N+](=O)[O-])cc1C ZINC000587862607 HH Annotated Bother COc1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc(OC)c1O ZINC000587862631 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000587862778 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2ccn(C)n2)n1 ZINC000587862920 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1cc([N+](=O)[O-])c(C)n1 ZINC000587862935 HH Annotated Bother CCOC(=O)c1cnc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc1C ZINC000587862936 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(N)cc([N+](=O)[O-])c1 ZINC000587862993 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000587863073 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCc1ccccn1 ZINC000587863093 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000587863095 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1C[C@H](C)O[C@H](C)C1 ZINC000587863096 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000587863097 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(C)n1 ZINC000587863112 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1 ZINC000587863113 HH Annotated Bother CC[C@@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1cc([N+](=O)[O-])cn1 ZINC000587863216 HH Annotated Bother CC[C@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1cc([N+](=O)[O-])cn1 ZINC000587863220 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnc2n[nH]c(C)c2c1 ZINC000587863268 HH Annotated Anodyne CNC(=O)c1c(C)[nH]c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1C ZINC000587863270 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1 ZINC000587863282 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1 ZINC000587863284 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC000587863349 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1ncc([N+](=O)[O-])c1C ZINC000587863412 HH Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc[nH]2)[nH]n1 ZINC000587863457 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNC(=O)c1cccs1 ZINC000587863610 HH Annotated Anodyne CCc1nnc2n1C[C@H](C(=O)n1nc(-c3ccccc3C(F)(F)F)cc1OC)CC2 ZINC000587863626 HH Annotated Anodyne CCc1nnc2n1C[C@@H](C(=O)n1nc(-c3ccccc3C(F)(F)F)cc1OC)CC2 ZINC000587863627 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C1=NS(=O)(=O)c2ccccc21 ZINC000587863714 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cc[nH]c2)[nH]n1 ZINC000587863741 HH Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccc2n(C)c1=O ZINC000587864080 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C(N)=O)cc1 ZINC000587864759 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(=O)NCc1ccco1 ZINC000587864852 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(Br)nn1C ZINC000587864976 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(-n2ccnc2)nn1 ZINC000587865536 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(C)c(C)c1[N+](=O)[O-] ZINC000587865537 HH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc([N+](=O)[O-])cc1C ZINC000587865608 HH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000587865634 HH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(NN)c2ccccc12 ZINC000587865703 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000587865734 HH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000587865851 HH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 ZINC000587865999 HH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 ZINC000587866000 HH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(=O)n(CC(C)C)c(O)n1 ZINC000587866015 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(=O)n(C(C)C)c(O)n1 ZINC000587866036 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)CN1CCOCC1 ZINC000587866047 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)CN1CCOCC1 ZINC000587866048 HH Annotated Anodyne CCCn1c(O)nc(-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1=O ZINC000587866070 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(-n2cccn2)nn1 ZINC000587866078 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000587866155 HH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000587866206 HH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1ccc([N+](=O)[O-])n1 ZINC000587866354 HH Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cc(O)nc(S)n1 ZINC000587866431 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(Br)cn1 ZINC000587866588 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC000587866791 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC000587866793 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnnn1-c1ccccc1 ZINC000587866815 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(N)cc1Br ZINC000587866915 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(S(N)(=O)=O)c1 ZINC000587866973 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCCCN(C)C ZINC000587867022 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)Nc1ccc(C)cc1 ZINC000587867229 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Br)c[nH]1 ZINC000587867356 HH Annotated Anodyne COc1ccccc1OCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867384 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000587867395 HH Annotated Anodyne COc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(OC)c1 ZINC000587867428 HH Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1=NS(=O)(=O)c2ccccc21 ZINC000587867436 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN[C@H](C)c1ccccc1 ZINC000587867470 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN[C@@H](C)c1ccccc1 ZINC000587867471 HH Annotated Anodyne COc1ccc(OCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587867550 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnc2onc(C)c2c1 ZINC000587867555 HH Annotated Anodyne CCCn1cc(Cl)c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 ZINC000587867606 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn2cc(Cl)ccc2n1 ZINC000587867626 HH Annotated Anodyne COc1cccc(OC)c1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867646 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc2c(c1)ncn2C ZINC000587867772 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587867807 HH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000587867818 HH Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000587867819 HH Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(NC(C)=O)cc1 ZINC000587867824 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000587867837 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-n2nc(C)cc2C)nn1 ZINC000587867863 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000587867864 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000587867866 HH Annotated Anodyne COc1ccc(NCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587867881 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587867908 HH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1c(C)nc2ccccc21 ZINC000587867918 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccccc1C#N ZINC000587867923 HH Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(F)cc1F ZINC000587868033 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nn1C(F)F ZINC000587868043 HH Annotated Anodyne COc1cc(OC)cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 ZINC000587868058 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000587868099 HH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCc1ccc(O)c(O)c1 ZINC000587868108 HH Annotated Clean COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCNC(=O)OC(C)(C)C ZINC000587868134 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1noc2ccccc12 ZINC000587868161 HH Annotated Anodyne COc1ccc(OC)c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 ZINC000587868177 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(-c2ccccc2)n1C ZINC000587868192 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C#N)cc1 ZINC000587868195 HH Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nc2onc(C)c12 ZINC000587868231 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000587868258 HH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nnc(-c2ccccc2)o1 ZINC000587868285 HH Annotated Anodyne COc1cccc(NCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 ZINC000587868295 HH Annotated Anodyne COc1ccc(CC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1OC ZINC000587868307 HH Annotated Anodyne COc1ccccc1NCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868318 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc(-c2ccccc2)no1 ZINC000587868322 HH Annotated Anodyne COc1cccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1OC ZINC000587868331 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccco2)on1 ZINC000587868339 HH Annotated Anodyne COc1ccc(Cl)c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 ZINC000587868360 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587868400 HH Annotated Bother COC(=O)c1cnc(Cl)cc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868404 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000587868409 HH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc(CCO)cc1 ZINC000587868434 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1nc2ccccc2n1C ZINC000587868443 HH Annotated Anodyne COC(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(OC)c1 ZINC000587868454 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc(C(=O)O)cc1 ZINC000587868496 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000587868502 HH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Cn1cc(Cl)cn1 ZINC000587868653 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Cn1cc(Cl)cn1 ZINC000587868654 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cncn1-c1ccccc1 ZINC000587868704 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2cc(N)ccc2o1 ZINC000587868709 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587868731 HH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1cccc([N+](=O)[O-])c1 ZINC000587868738 HH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cc(F)ccc1F ZINC000587868772 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(C)n1-c1ccccc1 ZINC000587868834 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)n(C(F)F)n1 ZINC000587868899 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cnc2ccccc21 ZINC000587868912 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc2c(c1)OCO2 ZINC000587868952 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000587868955 HH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000587868999 HH Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C(F)F)cc1C ZINC000587869016 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cnn(C(C)C)c(=O)c1Cl ZINC000587869055 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(-c2ccccc2)c1 ZINC000587869080 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(Br)c(C)nn1C ZINC000587869124 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccco2)[nH]n1 ZINC000587869142 HH Annotated Anodyne COc1ccc(CNC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587869175 HH Annotated Anodyne CCOC(=O)c1sc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc1C ZINC000587869236 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cn2ccccc2n1 ZINC000587869299 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(Br)cn2ccnc12 ZINC000587869336 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cn2cncn2)cc1 ZINC000587869436 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2c1c(Br)nn2C ZINC000587869443 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)c(C)c1Br ZINC000587869462 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nc(C)cc(C)n1 ZINC000587869476 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(CC)cc1Br ZINC000587869545 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCCc1cccs1 ZINC000587869555 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc2c(c1)OCO2 ZINC000587869652 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)CN1CCC(C)CC1 ZINC000587869666 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)CN1CCC(C)CC1 ZINC000587869668 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(C)nc2sccn12 ZINC000587869716 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1cc(Br)cn1 ZINC000587869740 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1cc(Br)cn1 ZINC000587869741 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn2ccc(C)cc2n1 ZINC000587869756 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(=O)n(C)c2ccccc12 ZINC000587869845 HH Annotated Anodyne COc1ccc(NC(=S)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cn1 ZINC000587869930 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nn2cnnc2c2ccccc12 ZINC000587869973 HH Annotated Anodyne CCn1c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc2ccccc2c1=O ZINC000587870041 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(-c2ccccn2)s1 ZINC000587870079 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1ncc(Br)c1C ZINC000587870084 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]c2ccccc2c1N ZINC000587870095 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn2c(C)cccc2n1 ZINC000587870101 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc(Br)c(C)n1 ZINC000587870122 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cn2ccsc2n1 ZINC000587870125 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1=NCc2cnn(C(C)(C)C)c2N1 ZINC000587870186 HH Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(C)nc2ccccn12 ZINC000587870244 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCCCCCCC(=O)NN ZINC000587870380 HH Annotated Reactive CCOC(=O)c1ccc(OCC(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1 ZINC000587870468 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(F)cc1[N+](=O)[O-] ZINC000587870518 HH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn(-c2ccc(F)cc2)c1N ZINC000587870574 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(C(=O)OC)c(C(F)(F)F)n1 ZINC000587870913 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cc(OC)c(OC)c(OC)c1 ZINC000587870952 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1 ZINC000587870975 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1=C(C)N[C@@H]2C=CC(Cl)=CN12 ZINC000587870982 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1=C(C)N[C@H]2C=CC(Cl)=CN12 ZINC000587870983 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(OC)c(OC)cc1OC ZINC000587871099 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587871157 HH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587871160 HH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000587871265 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000587871302 HH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000587871328 HH Annotated Anodyne C=C1C=C(n2nc(-c3cccc(F)c3)cc2OCC)N2NC(C(F)(F)F)=NC2=N1 ZINC000587871364 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(-c2nc(CCOC)no2)cn1 ZINC000587871456 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587871546 HH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](CC)n1nc([N+](=O)[O-])cc1C ZINC000587871579 HH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](CC)n1nc([N+](=O)[O-])cc1C ZINC000587871580 HH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cn(CC)nc2C)on1 ZINC000587871588 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn(Cc2ccccc2)c1N ZINC000587871661 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000587871674 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2c(c1)NC1=CCCN1C2=O ZINC000587871699 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1[C@](C)(Cc1ccc(O)c(OC)c1)C(=O)O ZINC000587871880 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1[C@@](C)(Cc1ccc(O)c(OC)c1)C(=O)O ZINC000587871881 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000587871939 HH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000587871977 HH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000587871979 HH Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1-c1nc(=O)c2c(C)cc(C)nc2n1CC ZINC000587872016 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(CC)c(=O)c2ccccc12 ZINC000587872034 HH Annotated Anodyne CCCn1nc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)c2ccccc2c1=O ZINC000587872050 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1[C@@](C)(Cc1ccc(O)c(O)c1)C(=O)O ZINC000587872299 HH Annotated Clean CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC000587872381 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(-c2ccc(C)cc2)ccc1=O ZINC000587872397 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)NC(C)(C)C)cn1 ZINC000587872454 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn(CC)c2nc(C)ccc2c1=O ZINC000587873069 HH Annotated Anodyne Cc1nc(C)c(I)c(-n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587873070 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000587873282 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000587873286 HH Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccn(Cc2ccccc2)c1=O ZINC000587873338 HH Annotated Anodyne O=C(c1cccc(I)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873772 HH Annotated Anodyne Cc1nn(Cn2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)n2)c(C)c1Cl ZINC000587874083 HH Annotated Anodyne O=C(c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874526 HH Annotated Bother COC(=O)c1cccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C#N ZINC000587874549 HH Annotated Mild O=C(c1cc([N+](=O)[O-])nn1Cc1ccccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874652 HH Annotated Bother CC(=O)N/C(=C/c1ccccc1[N+](=O)[O-])C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874716 HH Annotated Bother CC(=O)N/C(=C\c1ccccc1[N+](=O)[O-])C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874718 HH Annotated Bother O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(C(=O)O)ccc1[N+](=O)[O-] ZINC000587874747 HH Annotated Mild O=C(n1nc2cc1oc1ccc(F)cc21)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587874782 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(C(=O)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587874805 HH Annotated Anodyne CCOC(=O)c1nn(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(OCC)c1C#N ZINC000587874807 HH Annotated Mild CCOC(=O)c1nn(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(OCC)c1C#N ZINC000587874808 HH Annotated Mild COC(=O)c1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1 ZINC000587874822 HH Annotated Mild COC(=O)c1ccc(OC)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587874827 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587874894 HH Annotated Mild COC(=O)c1ccc(C#N)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587874938 HH Annotated Mild O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875056 HH Annotated Bother O=S(=O)(NC1CCCC1)c1ccc(-n2nc3cc2oc2ccc(F)cc32)nc1 ZINC000587875177 HH Annotated Anodyne COC(=O)c1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC ZINC000587875246 HH Annotated Mild COc1ccc(OCn2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)n2)cc1 ZINC000587875258 HH Annotated Anodyne COc1ccc([N+](=O)[O-])c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587875337 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc([N+](=O)[O-])cc1C(=O)O ZINC000587875477 HH Annotated Mild O=C(c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875498 HH Annotated Bother Cc1nn(Cc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)o2)c(C)c1[N+](=O)[O-] ZINC000587875581 HH Annotated Bother COC(=O)c1ccc(C#N)c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587875620 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(C(=O)O)cc1[N+](=O)[O-] ZINC000587875652 HH Annotated Mild O=C(OCc1ccccc1)N1CCO[C@H](C(=O)n2nc3cc2oc2ccc(F)cc32)C1 ZINC000587875795 HH Annotated Anodyne O=C(OCc1ccccc1)N1CCO[C@@H](C(=O)n2nc3cc2oc2ccc(F)cc32)C1 ZINC000587875799 HH Annotated Anodyne O=C(c1ccn(COc2ccccc2[N+](=O)[O-])n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875878 HH Annotated Bother O=C(CN1c2cccc3cccc(c23)S1(=O)=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876128 HH Annotated Anodyne COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)c1C ZINC000587876259 HH Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1[N+](=O)[O-] ZINC000587876261 HH Annotated Mild Cc1nnn(C23C[C@H]4C[C@@H](CC(C(=O)n5nc6cc5oc5ccc(F)cc65)(C4)C2)C3)n1 ZINC000587876365 HH Annotated Anodyne Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC000587876491 HH Annotated Mild Cc1ccc(CN2CCN(CC(=O)n3nc4cc3oc3ccc(F)cc43)CC2)cc1 ZINC000587876624 HH Annotated Anodyne O=S(=O)(Nc1ccccn1)c1ccc(-n2nc3cc2oc2ccc(F)cc32)nc1 ZINC000587876625 HH Annotated Anodyne O=c1c2sccc2nc(-n2nc3cc2oc2ccc(F)cc32)n1CCN1CCCC1 ZINC000587876675 HH Annotated Anodyne COC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc(OC)c1C ZINC000587876793 HH Annotated Mild COC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc(O)c1C ZINC000587876828 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C1/Nc2ccccc2NC1=O ZINC000587876950 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C1\Nc2ccccc2NC1=O ZINC000587876952 HH Annotated Mild O=C(O)/C=C/c1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587876969 HH Annotated Mild O=C(O)/C=C\c1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587876975 HH Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C#N)c1OC ZINC000587877029 HH Annotated Mild CNc1c([N+](=O)[O-])ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587877042 HH Annotated Mild Cc1cc([N+](=O)[O-])c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587877046 HH Annotated Mild O=C(CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)n1nc2cc1oc1ccc(F)cc21 ZINC000587877094 HH Annotated Anodyne CCOc1cc(C#N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877268 HH Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000587877301 HH Annotated Mild CC(=O)Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000587877315 HH Annotated Mild CCOc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877350 HH Annotated Mild CCOc1cc(C#N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587877351 HH Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)cc1[N+](=O)[O-] ZINC000587877372 HH Annotated Mild Nc1c(Cl)cc(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877382 HH Annotated Mild CC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000587877394 HH Annotated Mild CCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)cc1OC ZINC000587877409 HH Annotated Mild Nc1c(Cl)cc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877416 HH Annotated Mild COc1cc(C#N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587877418 HH Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Cl)cc1C(=O)O ZINC000587877434 HH Annotated Mild CNc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C#N)cc1[N+](=O)[O-] ZINC000587877475 HH Annotated Mild CCOc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587877521 HH Annotated Mild CCCNc1c(N)cc(C#N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877524 HH Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])cc1C(=O)O ZINC000587877543 HH Annotated Mild CC(=O)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000587877597 HH Annotated Mild CCCOc1cc(N)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877640 HH Annotated Mild Cc1cc(C(=O)O)cc([N+](=O)[O-])c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877645 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC ZINC000587877754 HH Annotated Mild Cc1cc(C(=O)O)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877764 HH Annotated Mild CCOc1cc(NC)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877787 HH Annotated Mild CC(C)Oc1cc(N)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877819 HH Annotated Mild COc1cc([N+](=O)[O-])c(OC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877857 HH Annotated Mild CCOc1cc(N)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877888 HH Annotated Mild COc1cc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)O)c1 ZINC000587877915 HH Annotated Mild CCOc1cc(C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1O ZINC000587877921 HH Annotated Mild CCOC(=O)c1cc(C)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587877928 HH Annotated Mild COc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587877964 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C=O)c(OC)c1 ZINC000587877980 HH Annotated Mild CC(C)COc1cc(N)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878023 HH Annotated Mild COc1cc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587878035 HH Annotated Mild COc1cc(C(=O)O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000587878074 HH Annotated Mild COc1cc(C=O)c(OC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878119 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CC#N)cc1OC ZINC000587878177 HH Annotated Mild COc1cc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587878190 HH Annotated Mild COc1cc(OC)c(C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878201 HH Annotated Mild COc1cc(C)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878212 HH Annotated Mild COC(=O)c1cc(OC)c(C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878224 HH Annotated Mild Nc1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587878247 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C=O)cc1OC ZINC000587878297 HH Annotated Mild CC(C)Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(N)=O ZINC000587878319 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)cc1[N+](=O)[O-] ZINC000587878349 HH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)cc1C ZINC000587878355 HH Annotated Mild COc1cc(/C=C\C(=O)O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878413 HH Annotated Mild COc1cc(/C=C/C(=O)O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878414 HH Annotated Mild CCOC(=O)c1ccc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878431 HH Annotated Mild CC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000587878436 HH Annotated Mild C=CCOc1ccc(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878478 HH Annotated Mild CN(C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000587878493 HH Annotated Mild CC(=O)Nc1ccc(C(C)=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878510 HH Annotated Mild CCOC(=O)c1ccc(C#N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878581 HH Annotated Mild CCOc1ccc(C(=O)OC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878612 HH Annotated Mild Cc1ccc([N+](=O)[O-])c(C(=O)O)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878615 HH Annotated Mild CC(=O)Nc1ccc(C#N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878647 HH Annotated Mild CC(=O)Nc1cc([N+](=O)[O-])ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878737 HH Annotated Mild COC(=O)c1cc(C(C)=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878809 HH Annotated Mild COC(=O)CCc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878861 HH Annotated Mild CN(C)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000587878893 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1NC(=O)CCl ZINC000587878931 HH Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2cccnc2c1C(=O)O ZINC000587878940 HH Annotated Mild C[C@@H](Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)N=C=O ZINC000587879239 HH Annotated Reactive C[C@H](Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)N=C=O ZINC000587879240 HH Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1[C@H]1C[C@@H]1C(=O)O ZINC000587879242 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1[C@H]1C[C@H]1C(=O)O ZINC000587879243 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1[C@@H]1C[C@@H]1C(=O)O ZINC000587879244 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1[C@@H]1C[C@H]1C(=O)O ZINC000587879245 HH Annotated Mild N#CCC(=O)Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879246 HH Annotated Mild COC(=O)C1(c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000587879344 HH Annotated Mild CN(C)c1ccc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879416 HH Annotated Mild CN(C)[C@@H](C#N)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879440 HH Annotated Mild CN(C)[C@H](C#N)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879446 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1C1(C(=O)O)CC1 ZINC000587879540 HH Annotated Mild COC(=O)/C=C\c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879570 HH Annotated Mild COC(=O)/C=C/c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879571 HH Annotated Mild CCNCCOc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879587 HH Annotated Mild CC(=O)CC(=O)Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879669 HH Annotated Mild O=Cc1ccc(-n2ccnc2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879722 HH Annotated Mild CCCNC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879744 HH Annotated Mild N#CCc1ccc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879779 HH Annotated Mild CCOCCOc1ncccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879998 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1CN=O ZINC000587880001 HH Annotated Mild COc1ccc(NC(C)=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880037 HH Annotated Mild CC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880052 HH Annotated Mild O=C(O)CCC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880090 HH Annotated Mild C#CCOc1ccc(C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880102 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1C ZINC000587880125 HH Annotated Mild CCN(C)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1O ZINC000587880127 HH Annotated Mild COCCOc1ccc(C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880152 HH Annotated Mild COc1ccc(/C=C\C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880159 HH Annotated Mild COc1ccc(/C=C/C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880160 HH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C)c1O ZINC000587880171 HH Annotated Mild CCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(N)=O ZINC000587880209 HH Annotated Mild Nc1c(Cl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880243 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)c1OC ZINC000587880247 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)c(O)c([N+](=O)[O-])c1 ZINC000587880286 HH Annotated Mild COc1ccc(OCC#N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880326 HH Annotated Mild CC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O ZINC000587880355 HH Annotated Mild COc1c(C)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880368 HH Annotated Mild Cc1ccc(N2CCOC2=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880406 HH Annotated Mild Nc1noc(-c2ccccc2)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880450 HH Annotated Mild Cc1c([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880464 HH Annotated Mild CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)c1N ZINC000587880492 HH Annotated Mild Cc1c(C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880542 HH Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C)c1N ZINC000587880574 HH Annotated Mild CCOCCCNc1ncccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880647 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C#N)c1OC ZINC000587880676 HH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C)c1OC ZINC000587880686 HH Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)c1O ZINC000587880722 HH Annotated Mild CCOCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587880733 HH Annotated Mild COCCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587880747 HH Annotated Mild CN(C)Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587880762 HH Annotated Mild C#CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O ZINC000587880819 HH Annotated Mild CCCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1N ZINC000587880826 HH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CC#N ZINC000587880848 HH Annotated Mild CNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)OC ZINC000587880868 HH Annotated Mild CN(C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880869 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CCCO ZINC000587880888 HH Annotated Mild CCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CO ZINC000587880895 HH Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C2CC2)nc1O ZINC000587880937 HH Annotated Mild C=CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CO ZINC000587880999 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CCCN ZINC000587881011 HH Annotated Mild COC(=O)c1cnc(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881026 HH Annotated Mild CCNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587881043 HH Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)OC ZINC000587881060 HH Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NCC(=O)O ZINC000587881077 HH Annotated Mild CC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587881080 HH Annotated Mild CCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CO ZINC000587881172 HH Annotated Mild CC(C)Oc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CO ZINC000587881258 HH Annotated Mild CNCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000587881354 HH Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1N1CCOCC1 ZINC000587881455 HH Annotated Mild CC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587881474 HH Annotated Mild CCOC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587881488 HH Annotated Mild CCN(CC)c1ncc(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881526 HH Annotated Mild Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1 ZINC000587881615 HH Annotated Mild CN(C)CCNc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881785 HH Annotated Mild O=Cc1cnn(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)c1 ZINC000587881869 HH Annotated Mild COCCOCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881960 HH Annotated Mild Nc1cc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)ncn1 ZINC000587882077 HH Annotated Mild CN(C)CCOc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882120 HH Annotated Mild CCOC(=O)COc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882143 HH Annotated Mild COC(=O)C1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)CC1 ZINC000587882230 HH Annotated Mild CCNC(=O)/C=C/c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882308 HH Annotated Mild CCNC(=O)/C=C\c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882309 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C2(C(=O)O)CC2)c1 ZINC000587882326 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@H]2C[C@@H]2C(=O)O)c1 ZINC000587882354 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@H]2C[C@H]2C(=O)O)c1 ZINC000587882355 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@@H]2C[C@@H]2C(=O)O)c1 ZINC000587882356 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@@H]2C[C@H]2C(=O)O)c1 ZINC000587882357 HH Annotated Mild CC(=O)CC(=O)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882361 HH Annotated Mild COCCN(C)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882366 HH Annotated Mild N#Cc1c[nH]nc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882382 HH Annotated Mild CN(C)/C=C\C(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882446 HH Annotated Mild CN(C)/C=C/C(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882447 HH Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)c1 ZINC000587882448 HH Annotated Mild CCNCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC ZINC000587882710 HH Annotated Mild CC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000587882756 HH Annotated Mild CCOC(=O)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883005 HH Annotated Mild COC(=O)CCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883023 HH Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C1OCCO1 ZINC000587883037 HH Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(C)=O ZINC000587883050 HH Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCC#N ZINC000587883102 HH Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)OC)c1 ZINC000587883157 HH Annotated Mild CCCNC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883176 HH Annotated Mild NC1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CCOCC1 ZINC000587883268 HH Annotated Mild N#C/C(=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587883340 HH Annotated Reactive N#C/C(=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587883341 HH Annotated Reactive COC(=O)/C=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883345 HH Annotated Mild COC(=O)/C=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883346 HH Annotated Mild C[C@H]1NCCO[C@H]1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883469 HH Annotated Mild C[C@@H]1NCCO[C@@H]1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883470 HH Annotated Mild C[C@@H]1NCCO[C@H]1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883471 HH Annotated Mild C[C@H]1NCCO[C@@H]1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883472 HH Annotated Mild COC(=O)C1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587883719 HH Annotated Mild NCc1ncc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)[nH]1 ZINC000587883723 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2(O)CCOCC2)cc1 ZINC000587883746 HH Annotated Mild N#C[C@H](CC(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883896 HH Annotated Mild N#C[C@@H](CC(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883897 HH Annotated Mild CCOC(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883902 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)NC(=O)CCC2 ZINC000587884029 HH Annotated Mild N#Cc1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2nc1N ZINC000587884222 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C=C(C(=O)O)CO2 ZINC000587884348 HH Annotated Mild O=Cc1coc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587884366 HH Annotated Mild C[C@@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587884429 HH Annotated Mild C[C@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587884432 HH Annotated Mild CC1(C)NC(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884433 HH Annotated Mild CN(C)/C=C/C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884657 HH Annotated Mild CN(C)/C=C\C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884658 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)OCCC[C@@H]2O ZINC000587884693 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)OCCC[C@H]2O ZINC000587884694 HH Annotated Mild O=CC1=Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2OC1 ZINC000587884866 HH Annotated Reactive N#Cc1coc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587884973 HH Annotated Mild CCO[C@@H](CN)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884988 HH Annotated Mild CCO[C@H](CN)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884993 HH Annotated Mild O=Cc1coc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1=O ZINC000587885014 HH Annotated Mild N#Cc1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2oc1=N ZINC000587885142 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C[C@@H]2CCCN2)cc1 ZINC000587885279 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C[C@H]2CCCN2)cc1 ZINC000587885281 HH Annotated Mild O=Cc1c(O)[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587885419 HH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2[nH]ccc12 ZINC000587885438 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(C(=O)O)c[nH]c2c1 ZINC000587885444 HH Annotated Mild COC(=O)c1c[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587885452 HH Annotated Mild CCOc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000587885534 HH Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N=CN(C)C ZINC000587885553 HH Annotated Mild CCNc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc(Cl)c1N ZINC000587885654 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1[N+](=O)[O-])C(=O)CC2 ZINC000587885662 HH Annotated Mild O=C(O)Cc1c[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587885837 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c2cc[nH]c2c1 ZINC000587885848 HH Annotated Mild COC(=O)c1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2o1 ZINC000587885857 HH Annotated Mild CCNCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885941 HH Annotated Mild N#Cc1c(N)ncc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587885980 HH Annotated Mild CCOC(=O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885986 HH Annotated Mild C[C@@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587886005 HH Annotated Mild C[C@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587886006 HH Annotated Mild C[C@@H](O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c1OCC2 ZINC000587886039 HH Annotated Mild C[C@H](O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c1OCC2 ZINC000587886040 HH Annotated Mild C[C@@H](O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2ncoc12 ZINC000587886070 HH Annotated Mild C[C@H](O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2ncoc12 ZINC000587886071 HH Annotated Mild COC(=O)c1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886103 HH Annotated Mild CN(C)c1ncc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587886109 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2oc(CCO)cc2c1 ZINC000587886122 HH Annotated Mild Cc1c(CO)[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886130 HH Annotated Mild COc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)CCC2=O ZINC000587886151 HH Annotated Mild CC[C@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587886204 HH Annotated Mild CC[C@@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587886205 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1Cl)NC(=O)CO2 ZINC000587886262 HH Annotated Mild Cc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](C)O2 ZINC000587886369 HH Annotated Mild Cc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)NC(=O)[C@H](C)O2 ZINC000587886371 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2[nH]c3c(c2c1)CNCC3 ZINC000587886388 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2cc(C(=O)O)ncc2c1 ZINC000587886451 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c2ncccc2c1 ZINC000587886491 HH Annotated Mild Cc1c(C(N)=O)oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886506 HH Annotated Mild O=CC(Cl)=NNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886510 HH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2cc[nH]c12 ZINC000587886583 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c([N+](=O)[O-])c1)NCC2 ZINC000587886605 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ncc(C(=O)O)cc2c1 ZINC000587886609 HH Annotated Mild NC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2o1 ZINC000587886610 HH Annotated Mild COCc1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2o1 ZINC000587886622 HH Annotated Mild CON(C)C(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886696 HH Annotated Mild CCn1c(CN)nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587886698 HH Annotated Mild COc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)CCC(=O)N2 ZINC000587886699 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ccc(C(=O)O)nc2c1 ZINC000587886705 HH Annotated Mild CC(=O)OCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886741 HH Annotated Mild O=C(O)CCNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886779 HH Annotated Mild C=Cc1nc(O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587886795 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(C(=O)O)ccc2c1 ZINC000587886845 HH Annotated Mild O=C(O)Cn1ccc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587886939 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c2[nH]ccc2c1 ZINC000587886988 HH Annotated Mild Nc1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(Cl)c2o1 ZINC000587886993 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2cc(C(=O)O)cnc2c1 ZINC000587886994 HH Annotated Mild N#Cc1c(Br)cncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887132 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(NCc2ccco2)nc1 ZINC000587887212 HH Annotated Mild CC(C)NC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887240 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC[C@H]2CCCO2)nc1 ZINC000587887260 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC[C@@H]2CCCO2)nc1 ZINC000587887263 HH Annotated Mild CCCNc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587887433 HH Annotated Mild CC(C)C(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887510 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2(C(=O)O)CCC2)nc1 ZINC000587887548 HH Annotated Mild CC(C)Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587887686 HH Annotated Mild CC[C@H]1Cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2C(=O)N1 ZINC000587887821 HH Annotated Mild CC[C@@H]1Cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2C(=O)N1 ZINC000587887822 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2ccc(C(=O)O)cc2c1 ZINC000587887833 HH Annotated Mild COc1ccc2c(c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)CC2 ZINC000587887867 HH Annotated Mild C=C1Nc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2N(C)C1=O ZINC000587887921 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2cccc(C(=O)O)c2c1 ZINC000587887959 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2cc(C(=O)O)ccc2c1 ZINC000587887972 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)c2c1CCCO2 ZINC000587887976 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1CCCC(=O)N2 ZINC000587887985 HH Annotated Mild N#CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)OCCO2 ZINC000587887986 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2nc(Cl)ncc2c1 ZINC000587887995 HH Annotated Mild COC(=O)c1ccc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c[nH]c2c1 ZINC000587888012 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(C(=O)O)cccc2c1 ZINC000587888055 HH Annotated Mild Nc1nc(Cl)nc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587888154 HH Annotated Mild COc1ccc2c(c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)CCC2=O ZINC000587888210 HH Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)C(=O)CCO2 ZINC000587888343 HH Annotated Mild COc1ccc2nccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587888347 HH Annotated Mild O=Cc1ccc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc(O)c2n1 ZINC000587888352 HH Annotated Mild COC(=O)c1[nH]c2ccccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888378 HH Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c1C(=O)CC2 ZINC000587888392 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc2c1NCC2 ZINC000587888460 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)NCCO2 ZINC000587888483 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1CCC21OCCO1 ZINC000587888591 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[nH]c2cccc(C(=O)O)c12 ZINC000587888593 HH Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)OCCCO2 ZINC000587888614 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2ccc(C(=O)O)nc12 ZINC000587888681 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2[nH]cc(C(=O)O)c12 ZINC000587888725 HH Annotated Mild COC(=O)c1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2o1 ZINC000587888786 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[nH]c2cc(C(=O)O)ccc12 ZINC000587888841 HH Annotated Mild CCCCNC(=O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587888871 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2cc(C(=O)O)[nH]c12 ZINC000587888979 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2[nH]cc(CCO)c12 ZINC000587889005 HH Annotated Mild CC1(C)C(=O)Nc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587889038 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc2[nH]ccc12 ZINC000587889049 HH Annotated Mild CCn1cnc2cc(C#N)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587889080 HH Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc[nH]c12 ZINC000587889109 HH Annotated Mild CCOCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1 ZINC000587889295 HH Annotated Mild COC(=O)c1cc2oc(C)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2[nH]1 ZINC000587889396 HH Annotated Mild COC(=O)c1cc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2[nH]1 ZINC000587889415 HH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc[nH]c2c1 ZINC000587889490 HH Annotated Mild COC(=O)c1cccc2[nH]cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587889492 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2cc(C(=O)O)cnc12 ZINC000587889508 HH Annotated Mild COC(=O)c1ccc2[nH]cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1 ZINC000587889566 HH Annotated Mild O=C(O)Cc1c[nH]c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587889584 HH Annotated Mild COC(=O)C(C)(C)c1ccnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587889828 HH Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ncc1OC1CC1 ZINC000587889849 HH Annotated Mild CC(C)(C)NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587890429 HH Annotated Mild Cc1cc2n[nH]c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2cc1[N+](=O)[O-] ZINC000587890437 HH Annotated Mild CC[C@@H](C)NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587890451 HH Annotated Mild CC[C@H](C)NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587890452 HH Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)[nH]1 ZINC000587890526 HH Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)o1 ZINC000587890654 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)C(=O)O)cc1 ZINC000587890688 HH Annotated Mild N#Cc1cc(Cl)c2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n2c1 ZINC000587890716 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2cc(C(=O)O)cn2c1 ZINC000587890780 HH Annotated Mild O=Cc1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587890930 HH Annotated Mild O=Cc1cnc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(Cl)cn12 ZINC000587891068 HH Annotated Mild CCO/C=C(/C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)C(F)(F)F ZINC000587891069 HH Annotated Mild CCO/C=C(\C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)C(F)(F)F ZINC000587891070 HH Annotated Mild CC(C)c1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccn2n1 ZINC000587891086 HH Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ncc([N+](=O)[O-])n2c1 ZINC000587891199 HH Annotated Mild CC(C)c1nnc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn12 ZINC000587891268 HH Annotated Mild Cc1cc2ncc([N+](=O)[O-])n2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891295 HH Annotated Mild COc1ccc([C@@H]2C=C(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)NO2)cc1 ZINC000587891319 HH Annotated Mild COc1ccc([C@H]2C=C(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)NO2)cc1 ZINC000587891320 HH Annotated Mild Cc1cc([N+](=O)[O-])c(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587891606 HH Annotated Mild COc1c(F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587891702 HH Annotated Mild COc1cc(C(F)F)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587891728 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nnc(C(F)F)n2c1 ZINC000587892082 HH Annotated Mild CNc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(F)c1[N+](=O)[O-] ZINC000587892311 HH Annotated Mild N#Cc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892355 HH Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1F ZINC000587892544 HH Annotated Mild O=Cc1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587892771 HH Annotated Mild N#CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(F)c1[N+](=O)[O-] ZINC000587892794 HH Annotated Mild Nc1cc(C(F)(F)F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587893008 HH Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1N ZINC000587893158 HH Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1N ZINC000587893257 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(CO)c(C(F)(F)F)c1 ZINC000587893263 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)cc1[N+](=O)[O-] ZINC000587893412 HH Annotated Mild COc1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587893446 HH Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)cc1[N+](=O)[O-] ZINC000587893463 HH Annotated Mild COCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894137 HH Annotated Mild O=C(O)/C=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894226 HH Annotated Mild O=C(O)/C=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894227 HH Annotated Mild N#CCC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894321 HH Annotated Mild O=C(O)/C=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1F ZINC000587894412 HH Annotated Mild O=C(O)/C=C\c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1F ZINC000587894413 HH Annotated Mild COC(=O)CCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894494 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2(C(=O)O)CC2)c(F)c1 ZINC000587894527 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([C@@H]2CNCCO2)ccc1F ZINC000587894528 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([C@H]2CNCCO2)ccc1F ZINC000587894529 HH Annotated Mild O=C(O)CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894538 HH Annotated Mild NC(=O)CCCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894559 HH Annotated Mild C=CS(=O)(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895014 HH Annotated Mild COc1ccc2ncc(F)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587895058 HH Annotated Mild Nc1nc2c(F)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2s1 ZINC000587895604 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)C2CC2)cc1 ZINC000587895714 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c2c(c1)C(=O)CCO2 ZINC000587895864 HH Annotated Mild COC(=O)CSc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895995 HH Annotated Mild CC(C)S(=O)(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896074 HH Annotated Mild O=C(O)CSc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896485 HH Annotated Mild CNC(=S)Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896553 HH Annotated Mild COc1c(C(=O)O)sc(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897135 HH Annotated Mild COC(=O)c1scc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587897217 HH Annotated Mild CCOC(=O)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897401 HH Annotated Mild O=C(O)CCC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897443 HH Annotated Mild CCc1nc(NC(C)=O)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897563 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](O)[C@@H]2CCOC2)s1 ZINC000587897626 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](O)[C@H]2CCOC2)s1 ZINC000587897627 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](O)[C@@H]2CCOC2)s1 ZINC000587897628 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](O)[C@H]2CCOC2)s1 ZINC000587897629 HH Annotated Mild COC(=O)/C=C\c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1 ZINC000587897648 HH Annotated Mild COC(=O)/C=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1 ZINC000587897649 HH Annotated Mild Nc1nc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n2)cs1 ZINC000587897672 HH Annotated Mild N#C/C(=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1)C(=O)O ZINC000587897831 HH Annotated Reactive N#C/C(=C\c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1)C(=O)O ZINC000587897832 HH Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)sc1nncn12 ZINC000587898027 HH Annotated Mild Nc1nnc(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587898062 HH Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nsnc12 ZINC000587898200 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc2cc(C(=O)O)[nH]c12 ZINC000587898408 HH Annotated Mild NNc1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2s1 ZINC000587898647 HH Annotated Mild Nc1nnc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)s1 ZINC000587898725 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2nc(S)sc2c1 ZINC000587898762 HH Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nc(N)sc2c1 ZINC000587898793 HH Annotated Mild Nc1nnc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)s1 ZINC000587898962 HH Annotated Mild Nc1snnc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587898968 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2cc(C(=O)O)[nH]c2s1 ZINC000587899008 HH Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N2CCSCC2)nc1 ZINC000587899074 HH Annotated Mild COc1ncc2scc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587899252 HH Annotated Mild COc1ccc(C#Cc2cc(Cl)ccc2OC)c(-c2nnc(CCC(=O)O)o2)c1 ZINC000587900353 HH Annotated Mild CCN(CC)CCNC(=O)c1cc(OC)ccc1C#Cc1cc(Cl)ccc1OC ZINC000587900703 HH Annotated Mild CCOC(=O)c1[nH]c(CC#Cc2cc(Cl)ccc2OC)c(C(=O)OCC)c1C ZINC000587901033 HH Annotated Mild CCOC(=O)c1nn(-c2ccccc2C#Cc2cc(Cl)ccc2OC)c(N)c1C#N ZINC000587902232 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(Cn2nc(C)c([N+](=O)[O-])c2C)c1C ZINC000587902662 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1NC=C1C(=O)OC(C)(C)OC1=O ZINC000587902726 HH Annotated Mild CCOC(=O)c1nn(Cc2ccccc2)c(O)c1C#Cc1cc(Cl)ccc1OC ZINC000587902857 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(N2CCNCC2)c1 ZINC000587904304 HH Annotated Mild COC(=O)c1cnn(-c2ccc(C#Cc3cc(Cl)ccc3OC)cn2)c1C1CC1 ZINC000587907590 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1Br)n(C)c(=O)n2C ZINC000587907902 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(c1ccccn1)=NCC(=O)N2 ZINC000587908546 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N(C)CCc2ccccn2)c(CO)c1 ZINC000587909190 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2oc3nc(N)c(C#N)cc3c(=O)c2c1 ZINC000587909514 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)c(Br)cc2c1NC(=O)CC2 ZINC000587910110 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c(Br)c1N)NC(=O)CC2 ZINC000587910178 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(N)c(Br)nc1Br ZINC000587910798 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cn2cc(C(=O)O)nc12 ZINC000587912433 HH Annotated Mild COc1ccc(Cl)cc1C#CC1=CC2(CCN(C(=O)OC(C)(C)C)CC2)ON1 ZINC000587912803 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Cl ZINC000587914712 HH Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c([N+](=O)[O-])cc1F ZINC000587915098 HH Annotated Unstable C=C1C=C(C(F)(F)F)n2nc(C(=O)O)c(C#Cc3cc(Cl)ccc3OC)c2N1 ZINC000587915304 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1F ZINC000587915970 HH Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc(I)c(N)c(Cl)n1 ZINC000587917158 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c2ncc(I)c-2n1 ZINC000587917168 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N)c(I)c1Cl ZINC000587917219 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(I)[nH]nc2cn1 ZINC000587917520 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c2c(I)cnc(N)c12 ZINC000587917638 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(I)c(N)nc1Cl ZINC000587917653 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(I)c(N)c(C#N)c1 ZINC000587917730 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]nc2ncc(I)cc12 ZINC000587917880 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1ncc(I)cc1[N+](=O)[O-] ZINC000587917884 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C#N)cc(I)c1N ZINC000587917989 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1S(=O)(=O)CC#N ZINC000587918088 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(S(=O)(=O)Cl)cc1[N+](=O)[O-] ZINC000587918124 HH Annotated Unstable COc1ccc(Cl)cc1C#Cc1ccc2nc(Cl)c(S(=O)(=O)Cl)n2c1 ZINC000587918307 HH Annotated Unstable COc1ccc(Cl)cc1C#Cc1sc(C)c(S(=O)(=O)Cl)c1[N+](=O)[O-] ZINC000587918559 HH Annotated Unstable CCn1c(S)nnc1CCn1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C ZINC000587918607 HH Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(Br)c(C(=O)O)c1C(=O)O ZINC000587918724 HH Annotated Mild CCN(c1ccc(-c2csc([C@@H](C)Cn3ccc(C)n3)n2)cc1)S(C)(=O)=O ZINC000587922304 HH Annotated Anodyne CCN(c1ccc(-c2csc([C@H](C)Cn3ccc(C)n3)n2)cc1)S(C)(=O)=O ZINC000587922309 HH Annotated Anodyne CCN(c1ccc(-c2csc(-c3cccc(C(N)=S)c3)n2)cc1)S(C)(=O)=O ZINC000587922462 HH Annotated Anodyne CCN(c1ccc(-c2csc(-c3cnc4cc(C)nn4c3)n2)cc1)S(C)(=O)=O ZINC000587923472 HH Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc4nonc4c3)n2)cc1)S(C)(=O)=O ZINC000587923512 HH Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccnc(NC(C)=O)c3)n2)cc1)S(C)(=O)=O ZINC000587923580 HH Annotated Anodyne CCNc1cc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)ccn1 ZINC000587923606 HH Annotated Anodyne Cc1cc(C)n(C[C@@H](C)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)n1 ZINC000587923624 HH Annotated Anodyne Cc1cc(C)n(C[C@H](C)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)n1 ZINC000587923625 HH Annotated Anodyne CC(=O)Nc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 ZINC000587923645 HH Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(O)c3)n2)cc1 ZINC000587923656 HH Annotated Reactive CS(=O)(=O)Nc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(O)c3)n2)cc1 ZINC000587923659 HH Annotated Reactive CN(c1ccc(-c2csc(-c3cc4ccccc4oc3=O)n2)cc1)S(C)(=O)=O ZINC000587923695 HH Annotated Anodyne Cc1nn(CCc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c(C)c1Cl ZINC000587923698 HH Annotated Anodyne C[C@H](Cn1cc(Cl)cn1)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000587923707 HH Annotated Anodyne C[C@@H](Cn1cc(Cl)cn1)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000587923708 HH Annotated Anodyne C[C@H](Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)NC(=O)OC(C)(C)C ZINC000587923747 HH Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(/C(=C/c3ccccc3O)C(=O)O)n2)cc1 ZINC000587923768 HH Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(/C(=C\c3ccccc3O)C(=O)O)n2)cc1 ZINC000587923769 HH Annotated Anodyne Cc1nn(CCc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c(C)c1Cl ZINC000587923777 HH Annotated Anodyne CN(c1ccc(-c2csc(-c3cccc(C(N)=S)c3)n2)cc1)S(C)(=O)=O ZINC000587923815 HH Annotated Anodyne COc1cc(OC)cc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1 ZINC000587923938 HH Annotated Anodyne CC(C)(C)OC(=O)NCCCc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000587923940 HH Annotated Anodyne CN(CCc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)C(=O)OC(C)(C)C ZINC000587923943 HH Annotated Anodyne CN(c1ccc(-c2csc(-c3cn(C4CCCC4)nc3N)n2)cc1)S(C)(=O)=O ZINC000587924002 HH Annotated Anodyne CN(c1ccc(-c2csc(Cc3ccc([N+](=O)[O-])cc3)n2)cc1)S(C)(=O)=O ZINC000587924022 HH Annotated Bother Cc1cccn2cc(Cc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)nc12 ZINC000587924027 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)C1 ZINC000587924357 HH Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H](c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)C1 ZINC000587924358 HH Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3cn(C4CCCC4)nc3N)n2)cc1 ZINC000587924461 HH Annotated Anodyne COC(=O)c1ccc(-n2c(O)cc(-c3cccc(F)c3)c2O)c(O[C@H]2CCOC2)c1 ZINC000587924608 HH Annotated Anodyne COC(=O)c1ccc(-n2c(O)cc(-c3cccc(F)c3)c2O)c(O[C@@H]2CCOC2)c1 ZINC000587924609 HH Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(I)cc3[nH]2)c1OC ZINC000587924970 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2c1 ZINC000587925541 HH Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c(O)c2)cc1OC ZINC000587925698 HH Annotated Anodyne COc1ccc(CCCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1OC ZINC000587925958 HH Annotated Anodyne COc1ccc(CCCc2nc3cc(I)cnc3[nH]2)cc1OC ZINC000587926315 HH Annotated Anodyne COc1ccc(CCCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1OC ZINC000587926319 HH Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)c(O)c2)cc1OC ZINC000587926603 HH Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1OC ZINC000587926663 HH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1OC ZINC000587926664 HH Annotated Anodyne COc1ccc(OC)c(-c2nc3cccc(I)c3[nH]2)c1OC ZINC000587926812 HH Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(I)cnc3[nH]2)cc1OC ZINC000587927000 HH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(I)cnc3[nH]2)cc1OC ZINC000587927007 HH Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587927690 HH Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587927693 HH Annotated Anodyne COc1ccc(C[C@H](C)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1OC ZINC000587927816 HH Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1OC ZINC000587927818 HH Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cc(O)cc(C(=O)O)c3)c2O)cc1Br ZINC000587927920 HH Annotated Anodyne COc1cc(C2(c3nc4cc(I)cnc4[nH]3)CC2)ccc1C ZINC000587928034 HH Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c(O)c2)cc1OC ZINC000587928044 HH Annotated Anodyne COc1ccc(CCCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(OC)c1 ZINC000587928850 HH Annotated Anodyne COc1ccc(CCCc2nc3cc(I)cnc3[nH]2)c(OC)c1 ZINC000587929095 HH Annotated Anodyne COc1ccc(CCCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(OC)c1 ZINC000587929676 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2c1 ZINC000587930130 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2c1 ZINC000587930133 HH Annotated Anodyne COc1ccc(/C=C\Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(OC)c1 ZINC000587930232 HH Annotated Anodyne COc1ccc(/C=C/Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(OC)c1 ZINC000587930237 HH Annotated Anodyne COC(=O)c1cc(Br)c2nc(C(=O)Cc3ccccc3OC)[nH]c2c1 ZINC000587930796 HH Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2C)c(OC)c1 ZINC000587931254 HH Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)c1 ZINC000587932063 HH Annotated Anodyne COc1cccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1 ZINC000587932537 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(C(=O)Cc3ccccc3OC)[nH]c2c1 ZINC000587932865 HH Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)c1 ZINC000587933796 HH Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587933961 HH Annotated Anodyne COc1cc(C(C)=O)c(OC)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934119 HH Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000587934725 HH Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000587934726 HH Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000587934727 HH Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000587934728 HH Annotated Anodyne CN1CCN(c2ccc(-n3c(O)ccc3OC(C)(C)C)cc2Br)CC1 ZINC000587935371 HH Annotated Anodyne CCOc1ccc(OCC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587935389 HH Annotated Anodyne COC(=O)c1cc(-n2c(OC)cc(C(C)=O)c2OC)c(Cl)cc1Br ZINC000587935736 HH Annotated Anodyne CC(=O)SCc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587935748 HH Annotated Anodyne CCOC(=O)c1cc(C)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1C ZINC000587936007 HH Annotated Clean COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000587936919 HH Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000587936928 HH Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000587936930 HH Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000587936933 HH Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(-c4ccco4)c3O)cc2Br)CC1 ZINC000587938000 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)[C@@H](O)c3ccc(OC)cc3)nc2c1 ZINC000587938766 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)[C@H](O)c3ccc(OC)cc3)nc2c1 ZINC000587938767 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)[C@@H](O)c3ccc(OC)cc3)nc2c1 ZINC000587938768 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)[C@H](O)c3ccc(OC)cc3)nc2c1 ZINC000587938769 HH Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587938780 HH Annotated Mild Oc1cc(C2CCCCC2)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587938982 HH Annotated Anodyne CC(=O)SCc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587939225 HH Annotated Anodyne CC(=O)SCc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587939226 HH Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(O)n(NCc3ccccc3Br)c2O)cc1 ZINC000587939423 HH Annotated Bother COc1cc(C(C)=O)c(OC)n1-c1cc(Br)cnc1Br ZINC000587939542 HH Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2c[nH]cc(Br)c2=O)cc1 ZINC000587939996 HH Annotated Anodyne Cc1ccc(-c2cc(O)n(-c3nn(-c4ncccn4)cc3Br)c2O)cc1 ZINC000587940153 HH Annotated Anodyne Cc1cc2c(n1-c1nn(-c3ncccn3)cc1Br)CC(C)(C)CC2=O ZINC000587940178 HH Annotated Anodyne O=C(O)c1cc(-n2c(O)ccc2OCCc2ccccc2)c(Br)cn1 ZINC000587940500 HH Annotated Anodyne CC(=O)SCc1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587940883 HH Annotated Anodyne COc1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1Br ZINC000587940933 HH Annotated Reactive COC(=O)Cc1cc(OC)n(-c2cnc3cc(Br)ccc3c2)c1OC ZINC000587941069 HH Annotated Anodyne CC(C)Oc1ccc(OC(C)C)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941254 HH Annotated Anodyne Cc1ccc(-c2ccc(CCC(=O)O)n2-c2c[nH]cc(Br)c2=O)s1 ZINC000587941344 HH Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587941759 HH Annotated Anodyne Cc1ccccc1-c1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587941882 HH Annotated Anodyne Oc1ccc(OCc2ccccc2)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941924 HH Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c2c(c3c1OC(=O)C3)CC(=O)O2 ZINC000587942407 HH Annotated Anodyne CC(C)Oc1cc(-n2c(O)cc([C@@H](CC(=O)O)C(=O)O)c2O)c(Cl)cc1Cl ZINC000587943025 HH Annotated Anodyne CC(C)Oc1cc(-n2c(O)cc([C@H](CC(=O)O)C(=O)O)c2O)c(Cl)cc1Cl ZINC000587943026 HH Annotated Anodyne Cc1cc(OCCn2c(O)ccc2OCC[C@H](N)C(=O)O)c(C(C)C)cc1Cl ZINC000587943138 HH Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1cc(F)c(Br)cc1F ZINC000587943479 HH Annotated Mild CC(=O)SCc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O ZINC000587943712 HH Annotated Bother C=C(C(=O)O)c1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943796 HH Annotated Anodyne COc1cc(C(C)=O)c(OC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943883 HH Annotated Bother CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(CSC(C)=O)c2O)n1 ZINC000587944819 HH Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1OCC ZINC000587944834 HH Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)CC2 ZINC000587945008 HH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)CC2 ZINC000587945009 HH Annotated Anodyne O=C1Cc2c3c(n(-c4ccc(Oc5ccc6c(c5)CCC6)c(F)c4)c2O1)OC(=O)C3 ZINC000587945213 HH Annotated Anodyne CC(=O)SCc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587945218 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 ZINC000587945418 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 ZINC000587945419 HH Annotated Anodyne CC(C)(C)Oc1ccc(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587945424 HH Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc(I)cnc3[nH]1)CC2 ZINC000587945497 HH Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(I)cnc3[nH]1)CC2 ZINC000587945499 HH Annotated Anodyne C=C(C(=O)O)c1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587945536 HH Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(O)cc(-c2ccco2)c1O ZINC000587945657 HH Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587945794 HH Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587945795 HH Annotated Anodyne COc1cc(C(C)=O)c(OC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587946236 HH Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cnc(Cc4ccc(F)cc4)nc3)c2O)cc1 ZINC000587946427 HH Annotated Bother COC(=O)c1cc(OC)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1OC ZINC000587946532 HH Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(N2CCCCC2)ncc1F ZINC000587946681 HH Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(N2CCCCC2)ncc1F ZINC000587946682 HH Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 ZINC000587947296 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2c1 ZINC000587947300 HH Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587949489 HH Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2c1 ZINC000587950041 HH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(CN5CCOCC5)cc4[nH]1)(C3)C2 ZINC000587950441 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2c1 ZINC000587951215 HH Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2c1 ZINC000587951216 HH Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]1)(C3)C2 ZINC000587951359 HH Annotated Bother CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587952082 HH Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587952083 HH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587952085 HH Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587952087 HH Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc(I)cnc3[nH]2)CC1 ZINC000587952199 HH Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc(I)cnc3[nH]2)CC1 ZINC000587952200 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2c1 ZINC000587952207 HH Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2c1 ZINC000587952208 HH Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 ZINC000587952235 HH Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 ZINC000587952236 HH Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 ZINC000587952579 HH Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 ZINC000587952580 HH Annotated Anodyne CC[C@@H](C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587954692 HH Annotated Anodyne CC[C@H](C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587954693 HH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc(I)cnc3[nH]2)cc1 ZINC000587956606 HH Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)cc1 ZINC000587957178 HH Annotated Anodyne CC[C@]1(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960303 HH Annotated Anodyne CC[C@@]1(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960318 HH Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2c1 ZINC000587961677 HH Annotated Anodyne CC[C@]1(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962685 HH Annotated Anodyne CC[C@@]1(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962688 HH Annotated Anodyne CC/C(=C\c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccc(C)cc1 ZINC000587965697 HH Annotated Anodyne CC/C(=C/c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccc(C)cc1 ZINC000587965707 HH Annotated Anodyne CC/C(=C\c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(C)cc1 ZINC000587966018 HH Annotated Anodyne CC/C(=C/c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(C)cc1 ZINC000587966019 HH Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2c1 ZINC000587969944 HH Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3cc(I)cnc3[nH]2)CC1 ZINC000587971329 HH Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)C3=C(C[C@H](OC(C)=O)[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12)C(=O)OC3 ZINC000059110246 HH Annotated Anodyne CCNC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCC[C@H]2C)C3=O)cc1 ZINC000059111730 HH Annotated Anodyne CC(C)NC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 ZINC000059114537 HH Annotated Anodyne O=C(NC1CCC1)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 ZINC000059114793 HH Annotated Anodyne COc1cc(Nc2ccnn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1 ZINC000059149266 HH Annotated Anodyne Cc1cccc(N2CCN(C(=O)COc3nsc4nc(C)cc(C)c34)C[C@@H]2C)c1 ZINC000059151280 HH Annotated Anodyne Cc1cccc(N2CCN(C(=O)COc3nsc4nc(C)cc(C)c34)C[C@H]2C)c1 ZINC000059151282 HH Annotated Anodyne CSc1ccc(/C=C(/C(=O)NCc2ccc(C(=O)NO)cc2)c2cccnc2)cc1 ZINC000059264807 HH Annotated Anodyne Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCN(C2CCCC2)C(=O)C1 ZINC000059423353 HH Annotated Anodyne CCOc1c2c3c(c(OCC)c1OC)-c1cc(CO)c(O)cc1C[C@@H]3[N+](C)(C)CC2 ZINC000059587402 HH Annotated Bother in-vitro biogenic C=CCCCCC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C#CC#CCCC)OC(C)=O ZINC000059587456 HH Annotated Mild in-vitro biogenic CCc1oc(=O)c(Cc2c(O)cc3c(c2O)C(=O)C[C@H](c2ccccc2)O3)c(O)c1C ZINC000059776072 HH Annotated Anodyne CCc1oc(=O)c(Cc2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)c(O)c1C ZINC000059776076 HH Annotated Anodyne CC(C)CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1C[C@](O)(CO)[C@H]3CC[C@]12C3 ZINC000059779144 HH Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000059833376 HH Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccccc1F)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000059833377 HH Annotated Anodyne CC(C)=CC[C@@H](NC(=O)c1cc(Br)cc(Br)c1)C(=O)O ZINC000059932450 HH Annotated Anodyne CC(C)=CC[C@H](NC(=O)c1cc(Br)cc(Br)c1)C(=O)O ZINC000059982064 HH Annotated Anodyne COc1ccc(OC)c(N2C(=O)CS[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000006003745 HH Annotated Anodyne COc1ccc(/C=C2\CN(C)C[C@@H]3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000006010042 HH Annotated Anodyne C[C@@H](C(=O)O)N1C(c2ccco2)=C(/C(C=O)=C\c2ccco2)C(=O)/C1=C\c1ccco1 ZINC000006010155 HH Annotated Reactive in-man O[C@@H]1[C@H](OC2c3ccccc3-c3ccccc32)[C@H](OCc2ccccc2)[C@@H]2OC[C@H]1O2 ZINC000006010156 HH Annotated Anodyne C=C1C(=O)[C@@]2(C)C(=O)O[C@@]34C[C@@H](C)C(C(=O)O)=C[C@H]3CCC[C@@H](C)C[C@@H](C)[C@@H]1O[C@@H]24 ZINC000006030903 HH Annotated Mild in-vitro C=C1C(=O)[C@@]2(C)C(=O)O[C@@]34C[C@@H](C)C(C(=O)O)=C[C@@H]3CCC[C@@H](C)C[C@@H](C)[C@@H]1O[C@@H]24 ZINC000006030920 HH Annotated Mild in-vitro C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000006037204 HH Annotated Anodyne C=C1C(=O)[C@@]2(C)C(=O)O[C@@]34C[C@@H](C)C(C(=O)O)=C[C@H]3CCC[C@H](C)C[C@@H](C)[C@@H]1O[C@@H]24 ZINC000006037561 HH Annotated Mild in-vitro C=C1C(=O)[C@@]2(C)C(=O)O[C@@]34C[C@@H](C)C(C(=O)O)=C[C@@H]3CCC[C@H](C)C[C@@H](C)[C@@H]1O[C@@H]24 ZINC000006037583 HH Annotated Mild in-vitro COc1ccccc1N1C(=O)CS(=O)(=O)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000006040337 HH Annotated Anodyne COc1cccc(N2C(=O)CS(=O)(=O)[C@@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000006040338 HH Annotated Anodyne COc1ccc(N2C(=O)CS(=O)(=O)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000006040339 HH Annotated Anodyne COc1ccc(C[C@H]2C3=C(CCN2C(=O)C2CCC2)CC2(CC3)OCCO2)cc1O ZINC000006040599 HH Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(O)nc2c([N+](=O)[O-])c1N/N=C/c1ccc(Cl)cc1Cl ZINC000006041663 HH Annotated Mild COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23O)c(O)c1 ZINC000006069951 HH Annotated Reactive CO[C@]12C(C=O)=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000006069952 HH Annotated Reactive in-man endogenous C#C/C=C(\c1ccc(F)c(F)c1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 ZINC000006133746 HH Annotated Mild O=C(N/N=C/c1c(F)cccc1F)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000006141792 HH Annotated Reactive CCOC(=O)c1c[nH]nc1/N=C(\C)c1c(C)nn(-c2nc3ccccc3s2)c1O ZINC000006160251 HH Annotated Mild C#C/C=C(\c1ccc(SC)cc1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 ZINC000006278119 HH Annotated Mild C#C/C=C(\c1cc(F)cc(F)c1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 ZINC000006278174 HH Annotated Mild C#C/C=C(/c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1)c1cc(F)ccc1F ZINC000006278178 HH Annotated Mild O=C(c1ccccc1)c1c(O)n(O)c2cc(NS(=O)(=O)c3cccs3)ccc12 ZINC000006292419 HH Annotated Anodyne CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC)[C@@H]2c1ccc(C(=O)OC)cc1 ZINC000006308828 HH Annotated Anodyne Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000006332287 HH Annotated Anodyne Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000006332292 HH Annotated Anodyne CCCc1c(Sc2cc(C)cc(C)c2)n(OCCc2ccccc2)c(=O)[nH]c1=O ZINC000006381484 HH Annotated Anodyne CCN1c2ncc(CCc3ccnc(N)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000006385130 HH Annotated Anodyne CCN1c2ncc(CSc3ncccn3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000006385150 HH Annotated Anodyne CCNc1cccnc1N1CCN(C(=O)c2cc3c(C)c(OC)c(C)c(C)c3[nH]2)CC1 ZINC000006385394 HH Annotated Anodyne CCOC(=O)Nc1nc(NC(=O)OCC)c2c(c1N)N[C@H](C)C(c1ccccc1)=N2 ZINC000006403196 HH Annotated Anodyne COC(=O)C1=C(O)c2cc(OC)c(OC)cc2[C@H](c2ccc(OC)c(OC)c2)C1 ZINC000006411734 HH Annotated Anodyne COC(=O)C1=C(O)c2cc(OC)c(OC)cc2[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000006411747 HH Annotated Anodyne CCc1c(Sc2ccccc2)n(C/C=C/c2ccc([N+](=O)[O-])s2)c(=O)[nH]c1=O ZINC000006424960 HH Annotated Bother COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2C[C@H]2C)cc1 ZINC000006437909 HH Annotated Mild O=C1C[C@@H]2c3ccccc3CCN2C(=O)[C@H]1/C=N\OCc1ccc(C(F)(F)F)cc1 ZINC000006476224 HH Annotated Mild COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2C[C@@H]2C)cc1 ZINC000006481391 HH Annotated Mild COc1cc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)ccc1O ZINC000006483902 HH Annotated Anodyne COc1ccc(CN2c3ccccc3C(OCc3ccccc3)=NS2(=O)=O)cc1 ZINC000006484291 HH Annotated Anodyne C[S@@](=O)(=NC(=O)c1ccccc1)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000060168541 HH Annotated Bother CCc1oc(=O)c(Cc2c(O)c(C(C)=O)c(O)c3c2OC(C)(C)CC3)c(O)c1C ZINC000060274307 HH Annotated Anodyne CCc1oc(OC)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(=O)c1C ZINC000060274310 HH Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c3c(c(C(C)=O)c2O)OC(C)(C)CC3)c(O)c1C ZINC000060274313 HH Annotated Anodyne O=C(CSc1ncn[nH]1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000061714927 HH Annotated Anodyne COc1ccc(NC(=O)[C@H]2Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cc1 ZINC000061895436 HH Annotated Anodyne COc1ccc(NC(=O)[C@@H]2Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cc1 ZINC000061895437 HH Annotated Anodyne Cc1cccc(C)c1Cn1c(C)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)sc1=O ZINC000061895517 HH Annotated Bother CCCCNC(=O)[C@]1(C)CCN1Cc1cccc2c(OC)cc(C(=O)OCC)cc12 ZINC000061895613 HH Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCN1Cc1cccc2c(OC)cc(C(=O)OCC)cc12 ZINC000061895614 HH Annotated Anodyne CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1cc(OC)ccc1Br ZINC000061895847 HH Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1cc(OC)ccc1Br ZINC000061895848 HH Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccc4c(c2)OCO4)O3)c1 ZINC000061895966 HH Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc4c(c2)OCO4)O3)c1 ZINC000061895967 HH Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2cccc(N(C)C)c2)O3)c1 ZINC000061896063 HH Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2cccc(N(C)C)c2)O3)c1 ZINC000061896064 HH Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@H]2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)cc1 ZINC000061896131 HH Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@@H]2Cc3c(-c4cccc(C(C)=O)c4)ccnc3O2)cc1 ZINC000061896133 HH Annotated Anodyne CCCCN(C=O)c1c(CC)nc2ccc(C(=O)NCc3ccccc3OC)cn12 ZINC000061897566 HH Annotated Anodyne CCCCNC(=O)Cn1nnc(-c2ccccc2)c1COc1ccc(C(C)=O)cc1 ZINC000061898535 HH Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(Cc2ccc3ccccc3c2Br)C1 ZINC000061903283 HH Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(Cc2ccc3ccccc3c2Br)C1 ZINC000061903284 HH Annotated Anodyne COc1ccc(C[C@H](N)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000061903315 HH Annotated Anodyne COc1ccc(C[C@@H](N)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000061903316 HH Annotated Anodyne c1cncc(CN2CCN(c3cc(-c4cnc5ccccc5c4)nc4ccnn34)CC2)c1 ZINC000061903416 HH Annotated Anodyne CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc4c(c2)OCO4)O3)cc1 ZINC000061903447 HH Annotated Anodyne CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc4c(c2)OCO4)O3)cc1 ZINC000061903448 HH Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccc(F)c(F)c2)O3)c1 ZINC000061903491 HH Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccc(F)c(F)c2)O3)c1 ZINC000061903492 HH Annotated Anodyne COCCNC(=O)[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000061903974 HH Annotated Anodyne COCCNC(=O)[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000061903975 HH Annotated Anodyne Cc1nc(Cn2c3ccc(NC(=S)NC4CCCCC4)cc3c(=O)n2C)cs1 ZINC000061904016 HH Annotated Anodyne CCc1nc2c(OCCn3cccc3)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061904131 HH Annotated Anodyne COc1ccccc1CN1C(=O)[C@@H](Cc2ccccc2)ON=C1c1ncccc1C ZINC000061904633 HH Annotated Anodyne COc1ccccc1CN1C(=O)[C@H](Cc2ccccc2)ON=C1c1ncccc1C ZINC000061904635 HH Annotated Anodyne CCc1nc2ccc(C(=O)N(C)C(C)C)cn2c1N(CCC(C)C)CCN(C)C ZINC000061904676 HH Annotated Anodyne COc1ccccc1-c1cc(NC=O)c2ncc(-c3ccc(S(C)(=O)=O)cc3)n2c1 ZINC000061904742 HH Annotated Anodyne COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cn1 ZINC000061904907 HH Annotated Anodyne COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cn1 ZINC000061904908 HH Annotated Anodyne CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCCc2ccccc2)O3)cc1 ZINC000061905228 HH Annotated Anodyne CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCCc2ccccc2)O3)cc1 ZINC000061905229 HH Annotated Anodyne Cc1cccnc1C1=NO[C@H](Cc2ccccc2)C(=O)N1CCOc1ccc(F)cc1 ZINC000061905316 HH Annotated Anodyne Cc1cccnc1C1=NO[C@@H](Cc2ccccc2)C(=O)N1CCOc1ccc(F)cc1 ZINC000061905317 HH Annotated Anodyne COc1ccc(NC(=O)[C@H]2Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cc1 ZINC000061905552 HH Annotated Anodyne COc1ccc(NC(=O)[C@@H]2Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cc1 ZINC000061905553 HH Annotated Anodyne CS(=O)(=O)c1ccc(Nc2nc([C@H](N)COCc3ccccc3)cs2)cc1 ZINC000061905802 HH Annotated Anodyne CS(=O)(=O)c1ccc(Nc2nc([C@@H](N)COCc3ccccc3)cs2)cc1 ZINC000061905803 HH Annotated Anodyne COc1cc(-c2cnc3c(NC=O)cc(-c4cccnc4)cn23)cc(OC)c1OC ZINC000061906023 HH Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2cccc(Cl)c2)O3)c1 ZINC000061906149 HH Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2cccc(Cl)c2)O3)c1 ZINC000061906150 HH Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccc(F)c(F)c2)O3)c1 ZINC000061906209 HH Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccc(F)c(F)c2)O3)c1 ZINC000061906210 HH Annotated Anodyne NC(=O)c1cccc(Nc2nc([C@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)n1 ZINC000061906232 HH Annotated Anodyne NC(=O)c1cccc(Nc2nc([C@@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)n1 ZINC000061906233 HH Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)NCc2cccc(Cl)c2)O3)cc1 ZINC000061906290 HH Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)NCc2cccc(Cl)c2)O3)cc1 ZINC000061906291 HH Annotated Anodyne COC(=O)c1cnc(Nc2nc([C@H](N)Cc3ccccc3)cs2)nc1C(F)(F)F ZINC000061906339 HH Annotated Anodyne COC(=O)c1cnc(Nc2nc([C@@H](N)Cc3ccccc3)cs2)nc1C(F)(F)F ZINC000061906340 HH Annotated Anodyne COc1cccc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)N(C)C)c4)n3c2)c1 ZINC000061906829 HH Annotated Anodyne COC(=O)c1cc(C)nc(Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)n1 ZINC000061906831 HH Annotated Anodyne COC(=O)c1cc(C)nc(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)n1 ZINC000061906832 HH Annotated Anodyne COc1ccccc1-c1cc(NC=O)c2ncc(-c3cccc(C(=O)N(C)C)c3)n2c1 ZINC000061907066 HH Annotated Anodyne O=C(Nc1ccccc1)c1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)on1 ZINC000061907286 HH Annotated Anodyne O=C(Nc1ccccc1)c1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCO4)C2)on1 ZINC000061907287 HH Annotated Anodyne C=Cc1ccc(Cn2c(C)c(C(=O)NCc3ccc4c(c3)OCCO4)sc2=O)cc1 ZINC000061907533 HH Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2cccc(N(C)C)c2)O3)c1 ZINC000061907714 HH Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2cccc(N(C)C)c2)O3)c1 ZINC000061907715 HH Annotated Anodyne CCOC(=O)C(=O)N(C)c1c(CC)nc2c(OCCC3CCCCC3)cccn12 ZINC000061908185 HH Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)Nc2cccc(N(C)C)c2)O3)cc1 ZINC000061908217 HH Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)Nc2cccc(N(C)C)c2)O3)cc1 ZINC000061908218 HH Annotated Anodyne CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)NCc3ccccc3OC)cn12 ZINC000061908220 HH Annotated Anodyne CCc1nc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cn2c1N(C)CCC(C)C ZINC000061908398 HH Annotated Anodyne CC(=O)Nc1cc(-c2cccc(NS(C)(=O)=O)c2)cn2c(-c3ccccc3)cnc12 ZINC000061908658 HH Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2Cc2ccccc2OC(F)F)c1 ZINC000061908771 HH Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2Cc2ccccc2OC(F)F)c1 ZINC000061908772 HH Annotated Anodyne CC(C)N1C[C@@]2(CC(c3ccccc3C(F)(F)F)=NO2)CN1C(=O)c1ccco1 ZINC000061920877 HH Annotated Anodyne CC(C)N1C[C@]2(CC(c3ccccc3C(F)(F)F)=NO2)CN1C(=O)c1ccco1 ZINC000061920878 HH Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CCCC2)C(=O)N1CCC1=CCCCC1 ZINC000061920941 HH Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1CCC1=CCCCC1 ZINC000061920942 HH Annotated Anodyne CC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(OC)c(OC)cc1c2=O ZINC000061921289 HH Annotated Anodyne CC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(OC)c(OC)cc1c2=O ZINC000061921290 HH Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)CC(C(=O)N(CC)CC)=C1C ZINC000061921478 HH Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)CC(C(=O)N(CC)CC)=C1C ZINC000061921479 HH Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)CC(C(=O)N(CC)CC)=C1C ZINC000061921494 HH Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)CC(C(=O)N(CC)CC)=C1C ZINC000061921495 HH Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)CC(C(=O)N(CC)CC)=C1C ZINC000061921498 HH Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC2CCCCC2)CC(C(=O)N(CC)CC)=C1C ZINC000061921500 HH Annotated Anodyne CSc1ncnc2c1ncn2CCCN1CCN(Cc2c(C)cc(C)cc2C)CC1 ZINC000061922457 HH Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000061922997 HH Annotated Anodyne CCCCCC(=O)N1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000061923000 HH Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000061923034 HH Annotated Anodyne Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000061923048 HH Annotated Anodyne COc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000061923081 HH Annotated Anodyne CCCCCC(=O)N1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(OC)cc1 ZINC000061923085 HH Annotated Anodyne Cc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000061923100 HH Annotated Anodyne Cc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000061923111 HH Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000061923139 HH Annotated Anodyne CCCCCC(=O)N1C[C@@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(OC)cc1 ZINC000061923141 HH Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000061923160 HH Annotated Anodyne Cc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 ZINC000061923169 HH Annotated Anodyne COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C[C@@H]2CSC)cc1 ZINC000061923620 HH Annotated Anodyne COc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)C[C@@H]2CSC)cc1 ZINC000061923622 HH Annotated Anodyne COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 ZINC000061923656 HH Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 ZINC000061923778 HH Annotated Anodyne COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000061923870 HH Annotated Anodyne CCCCCC(=O)N1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(OC)cc1 ZINC000061923872 HH Annotated Anodyne Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000061923898 HH Annotated Anodyne Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000061923905 HH Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2Cc2cccs2)cc1 ZINC000061923940 HH Annotated Anodyne CN1OC[C@@H]2CN(C(=O)Cc3ccccc3)[C@H](c3ccccc3Br)C[C@@H]21 ZINC000061924009 HH Annotated Anodyne COc1ccc(CN(C)[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2[C@H](C)O)cc1 ZINC000061924210 HH Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)cc1OC ZINC000061925607 HH Annotated Anodyne COc1ccc(CNC(=O)[C@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)cc1OC ZINC000061925608 HH Annotated Anodyne COc1cccc(-c2cnc3c(NC=O)cc(-c4cccc(C(=O)N(C)C)c4)cn23)c1 ZINC000061925610 HH Annotated Anodyne CN(C)CCNC(=O)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061925661 HH Annotated Anodyne CN(C)CCNC(=O)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061925662 HH Annotated Anodyne CCc1nc2ccc(C(=O)N3CCCCC3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061925677 HH Annotated Anodyne COCCNC(=O)[C@@]1(C)CCN(Cc2ccc3ccccc3c2Br)C1 ZINC000061925924 HH Annotated Anodyne COCCNC(=O)[C@]1(C)CCN(Cc2ccc3ccccc3c2Br)C1 ZINC000061925925 HH Annotated Anodyne C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1ccccc1OC(F)F ZINC000061926023 HH Annotated Anodyne C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1ccccc1OC(F)F ZINC000061926024 HH Annotated Anodyne COc1ccccc1CCC(=O)Nc1ccc2c(c1)c(=O)n(C)n2-c1cccs1 ZINC000061926044 HH Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)cc4)n3c2)c1 ZINC000061926078 HH Annotated Anodyne C[C@]1(C(=O)NCc2cccc(Cl)c2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 ZINC000061926405 HH Annotated Anodyne C[C@@]1(C(=O)NCc2cccc(Cl)c2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 ZINC000061926406 HH Annotated Anodyne CCc1nc2ccc(C(=O)N(C)Cc3ccccc3)cn2c1N(CC)CCN(C)C ZINC000061926561 HH Annotated Anodyne C[C@]1(C(=O)NCc2cccc(Cl)c2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061926582 HH Annotated Anodyne C[C@@]1(C(=O)NCc2cccc(Cl)c2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061926583 HH Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(C=O)CCC(C)C ZINC000061927281 HH Annotated Anodyne COc1cc(CNC(=O)c2cc(-c3cc(F)ccc3OC(C)C)[nH]n2)cc(OC)c1 ZINC000061927357 HH Annotated Anodyne CC(=O)c1cccc(NC(=O)[C@@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)c1 ZINC000061927530 HH Annotated Anodyne CC(=O)c1cccc(NC(=O)[C@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)c1 ZINC000061927533 HH Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCN(C(=O)c3cccs3)C2)on1 ZINC000061927774 HH Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCN(C(=O)c3cccs3)C2)on1 ZINC000061927777 HH Annotated Anodyne CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccccc3C(=O)OC)cccn12 ZINC000061928602 HH Annotated Anodyne C[C@]1(C(=O)Nc2ccc(Cl)cc2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 ZINC000061928679 HH Annotated Anodyne C[C@@]1(C(=O)Nc2ccc(Cl)cc2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 ZINC000061928680 HH Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000061929064 HH Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000061929065 HH Annotated Anodyne COc1ccc(CNc2nn3c(-c4cccc(C(=O)N(C)C)c4)cnc3s2)cc1 ZINC000061929201 HH Annotated Anodyne COc1cccc(CNc2nc3cc(-c4ccccc4CO)sc3c(=O)n2C)c1 ZINC000061929362 HH Annotated Anodyne CCc1nc2ccc(C(=O)N(CC)CCN(C)C)cn2c1N(C)Cc1cccs1 ZINC000061929637 HH Annotated Anodyne CCCCNC(=O)c1ccc2nc(CC)c(N(CCC(C)C)CCN(C)C)n2c1 ZINC000061930381 HH Annotated Anodyne O=C(Nc1cccc2ccccc12)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061930812 HH Annotated Anodyne CCOC(=O)[C@H](C)N1[C@H](C)[C@H](c2ccccc2)Oc2ccc(Cl)cc2S1(=O)=O ZINC000061931073 HH Annotated Anodyne O=S1(=O)c2c(F)cccc2O[C@H](COCc2ccccc2)CN1C1CCCC1 ZINC000061931188 HH Annotated Anodyne O=S1(=O)c2c(F)cccc2O[C@@H](COCc2ccccc2)CN1C1CCCC1 ZINC000061931189 HH Annotated Anodyne COc1ccc(CN(C)CCCn2cnc3c(OCc4ccccc4)ncnc32)cc1 ZINC000061935980 HH Annotated Anodyne CC(C)C[C@H]1CNC(=O)C(=O)N1CC1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC000061936099 HH Annotated Anodyne COc1ccc(CCN2CCC(CN3C(=S)NC[C@@H]3CC(C)C)CC2)cc1OC ZINC000061936108 HH Annotated Anodyne COc1ccc(C2=Nc3ccccc3[C@]2(O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000061936209 HH Annotated Anodyne COc1ccc(C2=Nc3ccccc3[C@@]2(O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000061936213 HH Annotated Anodyne Cc1nc2cc(-c3ccccc3)nn2c(N2CCN(C(=O)c3ccoc3)CC2)c1C ZINC000061944461 HH Annotated Anodyne Cc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)cc1 ZINC000061944529 HH Annotated Anodyne O=S1(=O)c2ccc(Br)cc2N2CCC[C@@H]2CN1Cc1ccccc1 ZINC000061944702 HH Annotated Anodyne C=CCCN([C@H](CO)Cc1ccccc1)S(=O)(=O)c1ccccc1Br ZINC000061944784 HH Annotated Mild O=S1(=O)c2ccc(Br)cc2N2CCC[C@H]2CN1Cc1ccccc1 ZINC000061944801 HH Annotated Anodyne O=S1(=O)c2ccccc2O[C@@H](COCc2ccccc2)CN1Cc1ccccc1 ZINC000061944803 HH Annotated Anodyne O=S1(=O)c2ccccc2O[C@H](COCc2ccccc2)CN1Cc1ccccc1 ZINC000061944804 HH Annotated Anodyne CC(C)(C)C(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]2CC[C@]2(C)C(=O)[C@H](O)C[C@H]32)C1 ZINC000061946739 HH Annotated Anodyne CC(C)(C)C(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4C[C@@H](O)C(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000061946744 HH Annotated Anodyne CC[C@@H](CO)Oc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c2ncn(C(C)C)c2c1 ZINC000061949022 HH Annotated Bother CC[C@H](CO)Oc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c2ncn(C(C)C)c2c1 ZINC000061949024 HH Annotated Bother CC[C@@H](CO)Oc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c2ncn(C(C)C)c2c1 ZINC000061949034 HH Annotated Bother CC[C@H](CO)Oc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c2ncn(C(C)C)c2c1 ZINC000061949036 HH Annotated Bother CC[C@@H](CO)Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ncn(C(C)C)c2c1 ZINC000061949038 HH Annotated Bother CC[C@H](CO)Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ncn(C(C)C)c2c1 ZINC000061949040 HH Annotated Bother Cc1ccc2c(c1)-n1c(nc3cc(F)ccc3c1=O)[C@H](Cc1ccc(O)cc1)NC2=O ZINC000061949240 HH Annotated Anodyne Cc1ccc2c(c1)-n1c(nc3cc(F)ccc3c1=O)[C@@H](Cc1ccc(O)cc1)NC2=O ZINC000061949242 HH Annotated Anodyne Cc1ccc2c(c1)-n1c(nc3ccc(C)cc3c1=O)[C@H](Cc1ccc(O)cc1)NC2=O ZINC000061949244 HH Annotated Anodyne Cc1ccc2c(c1)-n1c(nc3ccc(C)cc3c1=O)[C@@H](Cc1ccc(O)cc1)NC2=O ZINC000061949246 HH Annotated Anodyne CC1CCN(C(=O)c2ncn(Cc3ccccc3)c2C(=O)N2CCC(C)CC2)CC1 ZINC000061949456 HH Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)CCc3nc(-c4ccccc4C)no3)CC2)c1 ZINC000061959848 HH Annotated Anodyne CC(C)n1cc(C(=O)N2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 ZINC000061969782 HH Annotated Anodyne CC(C)n1cc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)cn1 ZINC000061969783 HH Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cc(Br)c(OC)cc1OC ZINC000617965228 HH Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cc(Br)c(OC)cc1OC ZINC000617965229 HH Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000617980973 HH Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000617980974 HH Annotated Anodyne Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000618006360 HH Annotated Anodyne COc1ccc(OC)c([C@@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)c1 ZINC000618007217 HH Annotated Anodyne COc1ccc(OC)c([C@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)c1 ZINC000618007222 HH Annotated Anodyne COc1ccc([C@@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)c(OC)c1 ZINC000618007253 HH Annotated Anodyne COc1ccc([C@H]2/C(=C(/O)OCc3ccccc3)C(C)=Nc3ncnn32)c(OC)c1 ZINC000618007254 HH Annotated Anodyne CCCC[C@@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618008431 HH Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC000618008843 HH Annotated Reactive COc1ccc(OC(F)(F)F)cc1C(=O)NCCCSSCCN(C)C ZINC000618008868 HH Annotated Reactive CCOc1cc(C(=O)NCCSSCCN(C)C)cc(OCC)c1OCC ZINC000618008869 HH Annotated Reactive CC(C)C[C@@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618009332 HH Annotated Reactive Cn1ncnc1CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1 ZINC000618009529 HH Annotated Anodyne c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCCNCC3)CC2)c1 ZINC000618009631 HH Annotated Anodyne COc1cc(C(=O)N(C)CCSSCCN(C)C)c(OC)c2ccccc12 ZINC000618009866 HH Annotated Reactive CN(C)CCSSCCN(C)C(=O)c1ccc(OC(F)(F)C(F)F)cc1 ZINC000618010404 HH Annotated Reactive CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618012424 HH Annotated Anodyne CC[C@H](C)[C@@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618012462 HH Annotated Reactive c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCOCC3)CC2)c1 ZINC000618012607 HH Annotated Anodyne CC(C)C[C@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618012668 HH Annotated Reactive CN(Cc1ccccc1)c1ccccc1NC(=O)[C@@H]1CC[C@@H](c2ccccn2)NC1=O ZINC000618014468 HH Annotated Anodyne CN(Cc1ccccc1)c1ccccc1NC(=O)[C@H]1CC[C@@H](c2ccccn2)NC1=O ZINC000618014471 HH Annotated Anodyne O=C1C[C@H](N2CCN=C2C2=C(O)/C(=C\c3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000618016110 HH Annotated Anodyne O=C1C[C@@H](N2CCN=C2C2=C(O)/C(=C\c3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000618016111 HH Annotated Anodyne C=CCN1C(=O)N[C@H](O)[C@H](C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)C1=O ZINC000618016707 HH Annotated Mild C=CCN1C(=O)N[C@H](O)[C@H](C2=Nc3ccccc3S[C@H](c3ccccc3)C2)C1=O ZINC000618016714 HH Annotated Mild C=CCN1C(=O)N[C@H](O)[C@@H](C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)C1=O ZINC000618016715 HH Annotated Mild C=CCN1C(=O)N[C@H](O)[C@@H](C2=Nc3ccccc3S[C@H](c3ccccc3)C2)C1=O ZINC000618016716 HH Annotated Mild CC(=O)Nc1ccc(NC(=O)CN2CCOC[C@H](Cc3cccc4occc34)C2)cc1 ZINC000618016771 HH Annotated Anodyne CC(=O)Nc1ccc(NC(=O)CN2CCOC[C@@H](Cc3cccc4occc34)C2)cc1 ZINC000618016773 HH Annotated Anodyne CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)O)c4)[C@H]3C[C@H]21 ZINC000618016911 HH Annotated Anodyne O=C(c1cccc(Oc2ncccn2)c1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)O2 ZINC000618017063 HH Annotated Anodyne O=C(c1cccc(Oc2ncccn2)c1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)O2 ZINC000618017065 HH Annotated Anodyne O=C(N1CC[C@@](O)(CN2CCc3ccccc3C2)C1)C1(c2ccccc2)CCCC1 ZINC000618017568 HH Annotated Anodyne O=C(N1CC[C@](O)(CN2CCc3ccccc3C2)C1)C1(c2ccccc2)CCCC1 ZINC000618017571 HH Annotated Anodyne CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)O)c4)[C@@H]3C[C@H]21 ZINC000618017621 HH Annotated Anodyne CN(C)CCSSCCCNC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000618017689 HH Annotated Reactive Cc1cccc(C(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCC/C=C/C[C@@H]32)n1 ZINC000618018226 HH Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(F)c2)[C@@H](CC(C)C)C1 ZINC000618020268 HH Annotated Anodyne CNc1ncc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 ZINC000062179114 HH Annotated Anodyne CC(C)C[C@H]1n2cncc2CN(Cc2ccc(OC(F)(F)F)cc2)S1(=O)=O ZINC000062224220 HH Annotated Anodyne C[C@@H]1CN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CCN1C1CCC1 ZINC000062224983 HH Annotated Anodyne COC(=O)[C@H](C)NC(=O)c1ccc(C(=O)N(CC(C)C)CC(C)C)cc1OC(C)C ZINC000062241588 HH Annotated Anodyne CCc1oc(-c2ccc(OC)c(OC)c2)cc1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000621431159 HH Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2)CC1 ZINC000621439777 HH Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2)CC1 ZINC000621439778 HH Annotated Anodyne CCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cc(Br)c(OC)cc1OC ZINC000621472583 HH Annotated Anodyne CCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1cc(Br)c(OC)cc1OC ZINC000621472584 HH Annotated Anodyne CNC(=O)c1cccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)c1 ZINC000621476498 HH Annotated Anodyne N[C@@H]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000621477304 HH Annotated Reactive N[C@@H]1CC[C@@H](NC(=O)O[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000621477702 HH Annotated Reactive CN(C)CCSSCCCNC(=O)c1cc(-c2ccc(F)c(F)c2)no1 ZINC000621485767 HH Annotated Reactive CCc1nc(N)nc(N)c1OCCCOc1ccccc1C1CCC(C(C)=O)CC1 ZINC000062611427 HH Annotated Anodyne in-vitro CCc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12 ZINC000063540202 HH Annotated Anodyne COc1cc(/C=C/CN2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)ccc1O ZINC000064002216 HH Annotated Anodyne COc1cc(/C=C/CN2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)ccc1O ZINC000064002217 HH Annotated Anodyne COc1ccc(Nc2nc3nonc3nc2N/N=C\c2cc(Cl)ccc2O)cc1 ZINC000064245730 HH Annotated Mild COc1cc(/C=N\Nc2nc3nonc3nc2Nc2ccc(Cl)cc2)ccc1O ZINC000064245739 HH Annotated Mild N#Cc1cc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)ccc1F ZINC000064245813 HH Annotated Mild O=c1c(CN2CCCCC2)cc(CN2CCCCC2)cc(CN2CCCCC2)c1O ZINC000064256497 HH Annotated Anodyne O=[N+]([O-])c1ccc(N/N=C\c2cccs2)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000064264607 HH Annotated Mild Cc1cc(C)n(-c2cc(N/N=C\c3cc(Br)ccc3O)nc(C)n2)n1 ZINC000064264612 HH Annotated Mild COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000064321262 HH Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000064321264 HH Annotated Anodyne CC(C)(C)OC(=O)NN(CC[C@@H]1C=CCC1)c1nc(C#N)ncc1Br ZINC000064321325 HH Annotated Reactive COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccccc2C)[nH]n1 ZINC000064361402 HH Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccccc2C)[nH]n1 ZINC000064361405 HH Annotated Anodyne CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)[C@H]1CCCC1(C)C ZINC000064361419 HH Annotated Reactive CC(C)(C)OC(=O)NN(C[C@@H]1CC=CCC1)c1nc(C#N)ncc1Br ZINC000064373216 HH Annotated Reactive Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)[n+](=O)c2cc(Cl)ccc2n1O ZINC000064415731 HH Annotated Anodyne COC(=O)c1c(O)cc(O)cc1Oc1c(O)c(OC)cc(CC=C(C)C)c1OC ZINC000064417053 HH Annotated Anodyne Cc1ccc2c(c1)[n+](=O)c(C(=O)NCC(c1ccccc1)c1ccccc1)c(C)n2O ZINC000064428896 HH Annotated Anodyne Cc1ccc(S(=O)(=O)c2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 ZINC000064437048 HH Annotated Clean Cn1c(=O)c(Nc2ncc(F)cc2F)cc2cnnc(-c3ccc(F)cc3F)c21 ZINC000064437798 HH Annotated Anodyne COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@H]3NC(=S)NC(=S)[C@@H]32)cc1 ZINC000064446769 HH Annotated Anodyne COc1ccc([C@H]2c3ccc4cccnc4c3O[C@H]3NC(=S)NC(=S)[C@H]23)cc1 ZINC000064446771 HH Annotated Anodyne COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 ZINC000064446773 HH Annotated Anodyne COc1ccc([C@H]2c3ccc4cccnc4c3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 ZINC000064446774 HH Annotated Anodyne COc1cc([C@H]2Nn3c(nnc3-c3nc(C(C)C)cs3)S2)cc(OC)c1OC ZINC000064447673 HH Annotated Anodyne COc1cc([C@@H]2Nn3c(nnc3-c3nc(C(C)C)cs3)S2)cc(OC)c1OC ZINC000064447675 HH Annotated Anodyne COc1nc2ccc(C)cc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1 ZINC000064447977 HH Annotated Anodyne CCOC(=O)C1CCN(Cn2nc(Cc3ccc(SC)cc3)oc2=S)CC1 ZINC000064448680 HH Annotated Anodyne COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2OC(=O)[C@H](C)[C@@]24CC[C@]3(C)OO4)cc1 ZINC000064453384 HH Annotated Reactive FC1(COc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CCNCC1 ZINC000641718902 HH Annotated Anodyne O=C1NN(C(=O)c2ccc(F)cc2)C(c2ccccc2)=N/C1=C/c1ccc(O)cc1 ZINC000064503542 HH Annotated Clean COc1cc(OC)cc(N2NC3=CC[C@@H](OC)O[C@@]3(c3ccccc3)CCC2=O)c1 ZINC000064510381 HH Annotated Anodyne O=C(c1cc(-c2ccc3c(c2)Cc2cn[nH]c2-3)c(-c2ccncc2)o1)N1CCOCC1 ZINC000064510735 HH Annotated Anodyne Oc1cc(Br)c(CCc2cc(O)c(O)cc2Br)cc1O ZINC000064512515 HH Annotated Clean Cc1cc(N[C@H](CCCCNCc2ccc([N+](=O)[O-])cc2)C(=O)NO)cc(C)c1F ZINC000064512702 HH Annotated Bother C[C@@H](Nc1ncnc2sc3c(c12)CCN(C(=O)/C=C/CN(C)C)C3)c1ccccc1 ZINC000064513172 HH Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)OC2[C@H]3CC4C[C@@H]2CC(C(C)(C)O)(C4)C3)C1 ZINC000064514100 HH Annotated Anodyne N#Cc1c(-c2ccccc2)cn(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1N ZINC000064526315 HH Annotated Mild O=c1nc(Nc2cccc(Br)c2)nc(NCc2ccc3cc[nH]c3c2)[nH]1 ZINC000064526341 HH Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3sccc3-n3cccc3)CC2)nc1 ZINC000064527229 HH Annotated Anodyne Cc1ccc(N([C@@H](CO)COc2ccccc2)[C@@H](CO)COc2ccccc2)cc1 ZINC000064528485 HH Annotated Anodyne Cc1ccc(N([C@@H](CO)COc2ccccc2)[C@H](CO)COc2ccccc2)cc1 ZINC000064528486 HH Annotated Anodyne Cc1ccc(N([C@H](CO)COc2ccccc2)[C@H](CO)COc2ccccc2)cc1 ZINC000064528487 HH Annotated Anodyne CN(C)S(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1Cl)=Nc1c[nH]nc1N2 ZINC000064539640 HH Annotated Anodyne CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3ccccn3)C2=O)CC1 ZINC000064540075 HH Annotated Anodyne O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1sc2c(c1CO)CCCC2 ZINC000064540156 HH Annotated Anodyne CC(C)N1CCC(Oc2cc3cc4n(c3cc2Br)[C@@H](C)CNC4=O)CC1 ZINC000064540171 HH Annotated Anodyne N[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1C(F)(F)F)N(CCCl)CCCl ZINC000064540296 HH Annotated Reactive O=C1OC2(CCC(CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1ccccn1 ZINC000064548403 HH Annotated Anodyne Cn1ncc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3cccc4[nH]ncc34)nc21 ZINC000064548614 HH Annotated Anodyne C[C@@](O)(c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(F)(F)F ZINC000064548714 HH Annotated Bother C[C@](O)(c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(F)(F)F ZINC000064548715 HH Annotated Bother COc1c(C(=O)N2CCC(F)(CNCc3ccc(C)cn3)CC2)csc1Cl ZINC000064548819 HH Annotated Anodyne CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3cccnc3)C2=O)CC1 ZINC000064548934 HH Annotated Anodyne CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3ccncc3)C2=O)CC1 ZINC000064548935 HH Annotated Anodyne O=C1OC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1ccnnc1 ZINC000064549001 HH Annotated Anodyne Cc1nc(C(=O)N2CCOC3(CCN(Cc4cccc(Cl)c4)CC3)C2)cs1 ZINC000064549056 HH Annotated Anodyne CC1(C)CCC[C@]2(C)[C@H]3Cc4oc(CN5CCCC5)cc4[C@H]4C(=O)O[C@@H]([C@H](O)[C@@H]12)[C@@H]43 ZINC000064549457 HH Annotated Anodyne CCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064549745 HH Annotated Mild CCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064549746 HH Annotated Mild N#Cc1ccc(COCC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)s1 ZINC000064559065 HH Annotated Mild O[C@H]1CN(C2CCC3(CC2)OCCO3)CCc2cc(OCc3ccccc3)ccc21 ZINC000064559963 HH Annotated Anodyne O[C@@H]1CN(C2CCC3(CC2)OCCO3)CCc2cc(OCc3ccccc3)ccc21 ZINC000064559965 HH Annotated Anodyne COc1cc(C(=O)c2ccc(-c3nccs3)cc2-n2cncn2)cc(OC)c1OC ZINC000064564357 HH Annotated Anodyne COc1cc(C(=O)c2ccc(-c3cscn3)cc2-n2cncn2)cc(OC)c1OC ZINC000064564496 HH Annotated Anodyne COc1cc(C(=O)c2cc(-n3cncn3)ccc2-c2ccco2)cc(OC)c1OC ZINC000064564530 HH Annotated Anodyne COc1cc(C(=O)c2ccc(-c3ccco3)cc2-n2cncn2)cc(OC)c1OC ZINC000064564732 HH Annotated Anodyne COc1cc(C(=O)c2cc(-n3cncn3)ccc2-c2ccc[nH]2)cc(OC)c1OC ZINC000064564773 HH Annotated Anodyne COc1cc(C(=O)c2cc(-n3cncn3)ccc2-c2nccs2)cc(OC)c1OC ZINC000064564834 HH Annotated Anodyne CCc1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1 ZINC000064573271 HH Annotated Anodyne Cc1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1 ZINC000064573560 HH Annotated Anodyne CN(/N=C\c1ccccc1)C(=N)NCCCC#Cc1cccc(CN2CCCC2)c1 ZINC000064608377 HH Annotated Mild C=C(C)C(=O)OC[C@@H]1CN2[C@H](c3ccc(Br)cc3)[C@H](C)CC[C@@H]2C(=O)O1 ZINC000064622662 HH Annotated Mild C=C(C)C(=O)OC[C@@H]1CN2[C@H](c3ccc(Br)cc3)[C@@H](C)CC[C@@H]2C(=O)O1 ZINC000064622663 HH Annotated Mild C=C(C)C(=O)OC[C@@H]1CN2[C@@H](CC[C@@H](C)[C@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000064622664 HH Annotated Mild C=C(C)C(=O)OC[C@@H]1CN2[C@@H](CC[C@H](C)[C@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000064622665 HH Annotated Mild CNC(=O)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000064664171 HH Annotated Reactive CNC(=O)c1ccc(CN(C)CC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1 ZINC000064721478 HH Annotated Anodyne Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000006507543 HH Annotated Anodyne Cc1c(Sc2ccccc2)n(C/C=C/c2ccc([N+](=O)[O-])s2)c(=O)[nH]c1=O ZINC000006520170 HH Annotated Bother Cc1c(Sc2ccccc2)n(COCCSc2ccccc2)c(=O)[nH]c1=O ZINC000006520206 HH Annotated Anodyne Cc1cc(C)cc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2OCCc2ccccc2)c1 ZINC000006521939 HH Annotated Anodyne C=CCOC(=O)C1=C[C@H](c2cn(C(C)=O)c3ccccc23)C[C@H](OCCCCO)O1 ZINC000006563234 HH Annotated Mild C=CCOC(=O)C1=C[C@@H](c2cn(C(C)=O)c3ccccc23)C[C@@H](OCCCCO)O1 ZINC000006563243 HH Annotated Mild CCCCn1c(-c2ccc(OC(F)F)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC000006567059 HH Annotated Anodyne OC[C@@H](CCc1ccccc1I)C1=CCC2(CC1)OCCO2 ZINC000006567873 HH Annotated Anodyne N#Cc1ccc(CN2c3ccccc3C(OCc3ccccc3)=NS2(=O)=O)cc1 ZINC000006580144 HH Annotated Mild Oc1nc2nnc(COc3ccc(Cl)cc3Cl)n2nc1Cc1ccccc1 ZINC000006580938 HH Annotated Anodyne C/N=C1\S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1/N=C/c1cccs1 ZINC000006597781 HH Annotated Mild C/C(=N/NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(N2CCOCC2)cc1 ZINC000006715015 HH Annotated Reactive CC[C@@H](C)N(CCNC(=O)Cn1ncc2c1-c1cc(C)ccc1CC2)Cc1ccco1 ZINC000006724391 HH Annotated Anodyne CC[C@H](C)N(CCNC(=O)Cn1ncc2c1-c1cc(C)ccc1CC2)Cc1ccco1 ZINC000006724396 HH Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)[C@@H]1C ZINC000006724931 HH Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)[C@@H]1C ZINC000006724932 HH Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)[C@@H]1C ZINC000006724933 HH Annotated Anodyne CSc1ccc(-c2cn(C)nc2[C@@H]2CCC(F)(F)C[C@H]2C(=O)NCC#N)cc1 ZINC000006733229 HH Annotated Mild COc1ccc([C@@H](CCC[C@H](O)CCc2ccc3c(n2)NCCC3)CC(=O)O)cn1 ZINC000006744947 HH Annotated Anodyne COc1ccc([C@@H](CCCC(=O)CCc2ccc3c(n2)NCCC3)CC(=O)O)cn1 ZINC000006744948 HH Annotated Anodyne O=C(CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21)NCc1ccccc1Cl ZINC000006750284 HH Annotated Anodyne O=C(CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)NCc1ccccc1Cl ZINC000006750285 HH Annotated Anodyne O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCCc1ccco1 ZINC000006751558 HH Annotated Anodyne Cc1ccc(Cn2c3ccccc3c3nnc(NCCCN4CCCC4=O)nc32)cc1 ZINC000006781697 HH Annotated Anodyne COCCn1cc(/C(O)=N/Cc2ccc(F)cc2)c2c3ccccc3n(C)c2c1=O ZINC000006785668 HH Annotated Mild O=C(CCCN1C(=O)c2ccccc2Sc2ncccc21)NCc1ccccn1 ZINC000006797053 HH Annotated Anodyne CC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000006797323 HH Annotated Anodyne CC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000006797325 HH Annotated Anodyne Cc1cc(C)n(CCc2nc3c4ccccc4nc(NCCCOC(C)C)n3n2)n1 ZINC000006805491 HH Annotated Anodyne Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(NCCCOC(C)C)n2n1 ZINC000006805502 HH Annotated Anodyne Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1F ZINC000006818538 HH Annotated Anodyne Cc1ccc(NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)c(Cl)c1 ZINC000006839720 HH Annotated Anodyne CCCN1CCN(C(=O)c2ccc(C[S@@](=O)Cc3ccc(Cl)cc3)o2)CC1 ZINC000006895774 HH Annotated Anodyne CCCN1CCN(C(=O)c2ccc(C[S@](=O)Cc3ccc(Cl)cc3)o2)CC1 ZINC000006895775 HH Annotated Anodyne O=S(=O)(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CCn2c1nc1ccccc12 ZINC000006902078 HH Annotated Anodyne CSc1nn(Cc2ccc(F)cc2)c(N)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000006915561 HH Annotated Anodyne CCCCNC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(Cl)c3C)c21 ZINC000006916253 HH Annotated Anodyne CCN(CC)C(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(Cl)c3C)c21 ZINC000006916256 HH Annotated Anodyne CCc1cccc(C)c1NC(=O)Cn1c(=O)cc(C(F)(F)F)c2c(C)nn(C)c21 ZINC000006916410 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)o1 ZINC000006916521 HH Annotated Anodyne Cc1ccc(CNC(=O)[C@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)o1 ZINC000006916523 HH Annotated Anodyne CN(C(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1)C1CCCCC1 ZINC000006936745 HH Annotated Anodyne O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)s1 ZINC000006997662 HH Annotated Clean C[C@@H]1CCc2cc(C(=O)N(C)CC(F)(F)F)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653630341 HH Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)CC(F)(F)F)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653630342 HH Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cc1SC(F)(F)F ZINC000653664352 HH Annotated Anodyne Cc1cc(C(=O)N(Cc2ccccc2)c2ccc(C(=O)N(C)C)cc2)c(O)cc1O ZINC000653664708 HH Annotated Anodyne CN(C)c1ccc(-c2cnc3cnc(-c4cccc(NS(C)(=O)=O)c4)cn23)cc1 ZINC000653664709 HH Annotated Anodyne CC(C)c1csc2ncnc(N3C[C@H]4C[C@H]3C[C@@H]4OCCN3CC[C@@H](F)C3)c12 ZINC000653666695 HH Annotated Anodyne CC(C)c1csc2ncnc(N3C[C@H]4C[C@H]3C[C@@H]4OCCN3CC[C@H](F)C3)c12 ZINC000653666696 HH Annotated Anodyne CC(C)c1csc2ncnc(N3C[C@H]4C[C@H]3C[C@H]4OCCN3CC[C@H](F)C3)c12 ZINC000653666697 HH Annotated Anodyne CC(C)c1csc2ncnc(N3C[C@H]4C[C@H]3C[C@H]4OCCN3CC[C@@H](F)C3)c12 ZINC000653666698 HH Annotated Anodyne Cc1nnc([C@@H](C)Oc2cc(-c3cc(N4CCC4)nc(C4CC4)n3)cnc2N)s1 ZINC000653667586 HH Annotated Anodyne Cc1nnc([C@H](C)Oc2cc(-c3cc(N4CCC4)nc(C4CC4)n3)cnc2N)s1 ZINC000653667587 HH Annotated Anodyne Fc1ccc(Cl)cc1CN1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000653667973 HH Annotated Anodyne C[C@H]1CCc2cc(-c3cc4c[nH]cnc-4n3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653675504 HH Annotated Anodyne CN(C)CCCOc1ccc(-c2cn3c(-c4ccc(N(C)C)cc4)cnc3cn2)cn1 ZINC000653678239 HH Annotated Anodyne Cc1nn2c(=O)cc(-c3ccc4c(c3OC(C)C)OCO4)[nH]c2c1-c1ccccn1 ZINC000653680377 HH Annotated Anodyne N#Cc1cncnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653681691 HH Annotated Mild NC12C[C@@H]3C[C@H](C1)CC(NC(=O)c1ccc(O)c4[nH]c([C@H]5C[C@H]6CC[C@H]5C6)nc14)(C3)C2 ZINC000653682144 HH Annotated Anodyne NC12C[C@@H]3C[C@H](C1)CC(NC(=O)c1ccc(O)c4[nH]c([C@@H]5C[C@H]6CC[C@H]5C6)nc14)(C3)C2 ZINC000653682145 HH Annotated Anodyne COc1cc(-c2nnc3ccc(-c4ccc(N5CCN(C)CC5)cc4)cn23)ccc1O ZINC000653685079 HH Annotated Anodyne O=c1cc(-c2ccc3c(c2)OCCO3)[nH]c2c(-c3ccc(Br)cc3)cnn12 ZINC000653685691 HH Annotated Anodyne CN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN4CCCC4)cccc3nc21 ZINC000653686890 HH Annotated Mild COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1Nc1ccc(C)cc1 ZINC000653687428 HH Annotated Bother CCCCOc1c(NCCCCCNc2cc(OC)cc3cccnc23)c(=O)c1=O ZINC000653687670 HH Annotated Anodyne C/C1=C/CC(C)(C)/C=C/C[C@]2(C)OC3=CC(=O)O[C@]4(C)CC(=O)O[C@]34C[C@H]2C[C@@H]1O ZINC000653688513 HH Annotated Anodyne CCCCNc1c(NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O ZINC000653689976 HH Annotated Anodyne CCCCNc1c(NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O ZINC000653689977 HH Annotated Anodyne COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2cccc(O)c2)cc(OC)c1OC ZINC000653691090 HH Annotated Anodyne COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1NC1CCCCC1 ZINC000653691288 HH Annotated Bother COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2cccc(N)c2)cc(OC)c1OC ZINC000653692810 HH Annotated Anodyne O=C1Nc2ccc(I)cc2[C@]12Nc1ccccc1-n1cccc12 ZINC000653693471 HH Annotated Anodyne O=C1Nc2ccc(I)cc2[C@@]12Nc1ccccc1-n1cccc12 ZINC000653693472 HH Annotated Anodyne COc1ccc(-c2cn(C)c(=O)c3cc(C(=O)N4CCCCC4)sc23)cc1OC ZINC000653693934 HH Annotated Anodyne COc1cccc(/C=N/n2c(C)nc3c(oc4nc(C(F)(F)F)ccc43)c2=O)c1 ZINC000653695847 HH Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OS(C)(=O)=O)CC[C@@]43C)[C@@H]1Cc1snnc12 ZINC000653697103 HH Annotated Mild CCOC(=O)C1=C(C)N2CC/C(=C\c3ccc(Br)cc3)C(=O)N=C2S1 ZINC000653698619 HH Annotated Anodyne CCOC(=O)CCNc1nc(-c2nccs2)cc(N2CCc3ccccc3CC2)n1 ZINC000653700686 HH Annotated Anodyne Cc1ccc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)cs4)CC[C@@H]32)cc1C ZINC000653700762 HH Annotated Anodyne O=C(O)CCCn1nc(C(=O)NCCCCCCS)cc1-c1ccc(F)cc1 ZINC000653701101 HH Annotated Mild COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1Nc1ccccc1 ZINC000653701109 HH Annotated Bother Nc1cc(N)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 ZINC000653702282 HH Annotated Anodyne O=C(O)CCNc1nc(-c2nccs2)cc(N2CCC(c3ccccc3)CC2)n1 ZINC000653702443 HH Annotated Anodyne CCc1ccc(-n2cc(CN3CCCN(c4noc5ccccc45)CC3)nn2)cc1 ZINC000653702445 HH Annotated Anodyne O=C(/C=C/c1ccc2c(c1)OCO2)NCCN=c1c2c([nH]c3ccccc13)CCCC2 ZINC000653706314 HH Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccc(Cl)cc3)O2)n1 ZINC000653706715 HH Annotated Anodyne CC(C)Oc1ccc(-c2nnc(NC3CCN(CC(=O)O)CC3)s2)cc1Cl ZINC000653708029 HH Annotated Anodyne COC(=O)c1c(O)c(Cl)c(C)c(Cl)c1Oc1c(OC)cc(O)cc1C(=O)O ZINC000653708710 HH Annotated Anodyne COc1ccc(Cc2nc3c(n2C)CCc2cc(-n4cnc(C)c4)ccc2C3=O)cc1 ZINC000653708999 HH Annotated Anodyne Cc1ccc(N(CCN2CCC(OCC(=O)O)CC2)C(=O)c2ccccc2)c(C)c1 ZINC000653711348 HH Annotated Anodyne O=C(O)COC1CCN(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000653711592 HH Annotated Anodyne COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(N)cc2)cc(OC)c1OC ZINC000653714142 HH Annotated Anodyne Cc1cc(OC[C@H]2[C@H](O)C[C@@H]3O[C@@H](c4nc(C(=O)O)co4)CC[C@@H]32)ccc1Cl ZINC000653714949 HH Annotated Anodyne Cc1ccccc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C ZINC000653714955 HH Annotated Anodyne COc1cc(C(=O)c2c[nH]c3ccc(Br)cc23)c(N)c(OC)c1OC ZINC000653715459 HH Annotated Anodyne COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(O)cc2)cc(OC)c1OC ZINC000653716287 HH Annotated Anodyne COc1ccc(CNc2c(-c3ccccc3NS(C)(=O)=O)nc3ccccn23)cc1 ZINC000653717568 HH Annotated Anodyne CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2cc(Br)ccc2O)C1 ZINC000653718520 HH Annotated Clean CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2cc(Br)ccc2O)C1 ZINC000653718521 HH Annotated Clean CC(C)=CCc1c(C)cc(O)c2c1[C@@H](O)c1c3c(cc(O)c1C2=O)OC(C)(C)[C@@H](O)C3 ZINC000653719129 HH Annotated Anodyne CC(C)=CCc1c(C)cc(O)c2c1[C@@H](O)c1c3c(cc(O)c1C2=O)O[C@@H](C(C)(C)O)C3 ZINC000653720487 HH Annotated Anodyne O=CN1N=C(c2ccc(F)cc2)C[C@@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000653721463 HH Annotated Anodyne O=CN1N=C(c2ccc(F)cc2)C[C@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000653721464 HH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)nc1)C2 ZINC000653722468 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)nc1)C2 ZINC000653722469 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2 ZINC000653725608 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2 ZINC000653725609 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 ZINC000653726518 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 ZINC000653726522 HH Annotated Bother COc1ccc2c(OCCn3c(=O)oc4ccc(-c5cnn(C)c5)cc43)ccnc2c1 ZINC000653727850 HH Annotated Anodyne CCCCNC(=O)[C@H]1c2ccccc2C(=O)N1C[C@@](C)(O)c1ccc(Cl)cc1 ZINC000653729226 HH Annotated Anodyne CCCCNC(=O)[C@H]1c2ccccc2C(=O)N1C[C@](C)(O)c1ccc(Cl)cc1 ZINC000653729227 HH Annotated Anodyne CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N1C[C@@](C)(O)c1ccc(Cl)cc1 ZINC000653729228 HH Annotated Anodyne CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N1C[C@](C)(O)c1ccc(Cl)cc1 ZINC000653729229 HH Annotated Anodyne CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)cc1 ZINC000653729302 HH Annotated Anodyne Cc1ccc2c(c1)oc(=O)n2CCOc1ccnc2cc(-c3cnn(C)c3)ccc12 ZINC000653729319 HH Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](O)C=C3[C@@H](OC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000653730216 HH Annotated Mild Cc1sc2ncnc(SCC(=O)c3ccc(CNC(=O)C4CC4)o3)c2c1C ZINC000653730597 HH Annotated Anodyne CCOc1cc(N2CCN(CCc3ccccc3OC)C2=O)ccc1-c1cn[nH]c1 ZINC000653735529 HH Annotated Anodyne COCCOCCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000653737431 HH Annotated Mild Cn1cc(-c2ccc(Cc3n[nH]c4ccc(C(=O)N5CC(F)(F)C5)cc34)cc2)cn1 ZINC000653737456 HH Annotated Anodyne O=C(O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)c2ccccc2c1O ZINC000653737605 HH Annotated Anodyne CC1=NN(S(=O)(=O)c2ccccc2C)[C@H](c2cc(Br)ccc2O)C1 ZINC000653738892 HH Annotated Clean CC1=NN(S(=O)(=O)c2ccccc2C)[C@@H](c2cc(Br)ccc2O)C1 ZINC000653738893 HH Annotated Clean C=C(C)Cn1c(SCC(=O)c2cccs2)nc2sc3c(c2c1=O)CCNC3 ZINC000653740665 HH Annotated Mild CC1=NN(S(=O)(=O)c2ccc(F)cc2)[C@H](c2cc(Br)ccc2O)C1 ZINC000653741236 HH Annotated Clean CC1=NN(S(=O)(=O)c2ccc(F)cc2)[C@@H](c2cc(Br)ccc2O)C1 ZINC000653741238 HH Annotated Clean C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC)O[C@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000653746684 HH Annotated Mild CNc1cccc(-c2cnc3cnc(-c4ccc(OCCCN(C)C)nc4)cn23)c1 ZINC000653750417 HH Annotated Anodyne CN1CCN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4ccccc4)n3n2)CC1 ZINC000653751748 HH Annotated Anodyne Cn1nccc1-c1ccc2[nH]cc(C(N)=O)c(=Nc3ccc(C(C)(C)C#N)cc3)c2c1 ZINC000653754324 HH Annotated Mild CN1CCN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4ccncc4)n3c2)CC1 ZINC000653754347 HH Annotated Anodyne CC(C)(C#N)c1ccc(N=c2c(C(N)=O)c[nH]c3ccc(-c4ccc(N)nc4)cc23)cc1 ZINC000653755597 HH Annotated Mild COc1ccc([C@H](O)[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653757202 HH Annotated Anodyne CC(=O)c1c(O)ccc(C(c2ccc(O)cc2O)c2ccc(O)c(C(C)=O)c2O)c1O ZINC000653762889 HH Annotated Anodyne CCNC(=O)Nc1cn(-c2ncc(Cl)cn2)c2cc(-c3cccnc3F)cnc12 ZINC000653762895 HH Annotated Anodyne Nc1ccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nn1 ZINC000653765597 HH Annotated Anodyne COc1cc(-c2cnc3cnc(-c4ccc(OCCCN(C)C)nc4)cn23)ccc1O ZINC000653765598 HH Annotated Anodyne Cc1cc(S(=O)(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)cc(Cl)c1F ZINC000653767605 HH Annotated Anodyne Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccco1)CCN(Cc1ccccc1)C3 ZINC000653767614 HH Annotated Mild CC[C@H](C)[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 ZINC000653767902 HH Annotated Anodyne CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1cccc(F)c1 ZINC000653768359 HH Annotated Anodyne CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1cccc(F)c1 ZINC000653768360 HH Annotated Anodyne COC(=O)c1ccccc1-c1c2ccoc2c(OCCN(C)C)c2oc(=O)ccc12 ZINC000653769982 HH Annotated Anodyne CCc1nnc(Sc2ncnc3scc(-c4cccc(S(C)(=O)=O)c4)c23)o1 ZINC000653773144 HH Annotated Anodyne CC(C)C[C@H](N)CN=c1nc(-c2ccncc2)[nH]c2c(Br)csc12 ZINC000653775782 HH Annotated Anodyne CN1CCN(C(=O)c2ccc(-c3cnc4cnc(/C=C/c5ccccc5)cn34)cc2)CC1 ZINC000653778378 HH Annotated Anodyne Nc1ncc(-c2cc(N3CCCOCC3)nc([C@H]3CC[C@@H](F)C3)n2)cc1OC(F)F ZINC000653778381 HH Annotated Anodyne Nc1ncc(-c2cc(N3CCCOCC3)nc([C@@H]3CC[C@@H](F)C3)n2)cc1OC(F)F ZINC000653778382 HH Annotated Anodyne CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1F ZINC000653778432 HH Annotated Anodyne CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1F ZINC000653778433 HH Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCOC3)Cc1ccccc1 ZINC000653778454 HH Annotated Anodyne Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(OC(F)(F)F)c2n1 ZINC000653782476 HH Annotated Anodyne O=C1CSc2ccccc2N1Cc1cn(Cc2ccc(Br)cc2)nn1 ZINC000653782495 HH Annotated Anodyne O=C1O[C@@H](CN2CCCCC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 ZINC000653782599 HH Annotated Anodyne O=C(O)Cc1ccc(-c2ccc(CN3CC(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000653783648 HH Annotated Anodyne O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc3ncccc3c2)c2cccnc12 ZINC000653783774 HH Annotated Anodyne Fc1ccc(OCc2cc(N3CC4(CCO4)C3)nc(-c3ccccn3)n2)c(F)c1F ZINC000653784837 HH Annotated Anodyne CC1(C#N)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1 ZINC000653784840 HH Annotated Mild Cc1ccc(S(=O)(=O)N(C)C2(C(=O)N[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1F ZINC000653784922 HH Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1 ZINC000653787745 HH Annotated Bother CC(C)c1nc(C(=O)NCC2(C)CCN(CC3CCOCC3)CC2)c2ccccn12 ZINC000653787991 HH Annotated Anodyne O=C(c1cc(-c2cccc3nccn23)c2cc(N3CCOCC3)ccn12)C(F)(F)F ZINC000653790121 HH Annotated Anodyne CC(C)C(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12 ZINC000653790190 HH Annotated Anodyne CC[C@H](c1nnnn1-c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000653790198 HH Annotated Anodyne CC[C@@H](c1nnnn1-c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000653790199 HH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@@H](c2cccnc2)N(c2ccccc2)[C@@H]1c1cccnc1 ZINC000653793860 HH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@H](c2cccnc2)N(c2ccccc2)[C@H]1c1cccnc1 ZINC000653793861 HH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@@H](c2cccnc2)N(c2ccccc2)[C@H]1c1cccnc1 ZINC000653793862 HH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@H](c2cccnc2)N(c2ccccc2)[C@@H]1c1cccnc1 ZINC000653793863 HH Annotated Anodyne CC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1 ZINC000653794079 HH Annotated Anodyne Fc1ccc(OCc2cc(OCC3COC3)nc(-c3ccccn3)n2)c(F)c1F ZINC000653794085 HH Annotated Anodyne CCCCCC/C(C)=N/N=C1\SCC(=O)N1CN1C(=O)c2ccccc2C1=O ZINC000653794422 HH Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O ZINC000653795334 HH Annotated Mild CON(C)C(=O)[C@@H]1C[C@H]1c1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 ZINC000653797749 HH Annotated Anodyne CON(C)C(=O)[C@@H]1C[C@@H]1c1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 ZINC000653797751 HH Annotated Anodyne CON(C)C(=O)[C@H]1C[C@H]1c1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 ZINC000653797752 HH Annotated Anodyne CON(C)C(=O)[C@H]1C[C@@H]1c1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 ZINC000653797754 HH Annotated Anodyne CN(CCS(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)c1ccc2ccccc2c1 ZINC000653799882 HH Annotated Anodyne CC(C)C1=CC[C@H](Cn2cc(CNC(=O)OC(C)(C)C)nn2)[C@@]12C=CC(=O)CC2 ZINC000653803288 HH Annotated Mild Fc1ccc(OCc2cc(OCC3(F)COC3)nc(-c3ccccn3)n2)c(F)c1F ZINC000653804932 HH Annotated Anodyne O=C(NCC1CCCCC1)c1cccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)c1 ZINC000653806069 HH Annotated Anodyne CC[C@H](NCCNc1nc2cccc(F)c2s1)c1nnnn1Cc1cccs1 ZINC000653807596 HH Annotated Anodyne CC[C@@H](NCCNc1nc2cccc(F)c2s1)c1nnnn1Cc1cccs1 ZINC000653807597 HH Annotated Anodyne COc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4c(C)cc(=O)oc43)oc2=N)cc1 ZINC000653809959 HH Annotated Bother COc1ccc([C@H](C)NC(=O)c2cc3c(ccc4c(C)cc(=O)oc43)oc2=N)cc1 ZINC000653809960 HH Annotated Bother CCOC(=O)[C@@H]1C(=O)C[C@@H](c2ccccn2)N(c2ccccc2)[C@@H]1c1ccccn1 ZINC000653810900 HH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@H](c2ccccn2)N(c2ccccc2)[C@H]1c1ccccn1 ZINC000653810903 HH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@@H](c2ccccn2)N(c2ccccc2)[C@H]1c1ccccn1 ZINC000653810906 HH Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@H](c2ccccn2)N(c2ccccc2)[C@@H]1c1ccccn1 ZINC000653810907 HH Annotated Anodyne O=C(NCC1CCCCC1)c1ccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)cc1 ZINC000653810988 HH Annotated Anodyne COc1cc(/C=C2\Cc3cc(OC)c(OC)c(OC)c3C2=O)cc(OC)c1OC ZINC000653811091 HH Annotated Mild Cn1cc(-c2ccc(-c3cncc4ccc(N5CCCS5(=O)=O)cc34)cc2)cn1 ZINC000653823885 HH Annotated Anodyne C[C@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000653827675 HH Annotated Bother C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000653827676 HH Annotated Bother C[C@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000653833359 HH Annotated Bother C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000653833361 HH Annotated Bother O=c1oc2ccc(Br)cc2c(=O)n1-c1ccc(Br)cc1F ZINC000653834967 HH Annotated Anodyne CC(C)(C)c1cc(NC(=O)n2ccc3nc(Oc4ncnc5c4CNC5)ccc32)no1 ZINC000653835860 HH Annotated Anodyne Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CC(F)(F)C5)nc34)cc2)cn1 ZINC000653838542 HH Annotated Anodyne CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1cccc(O)c1O ZINC000653840636 HH Annotated Clean COc1ccc(OC)c(-c2cc(-c3ccc(C(=O)N4CCOCC4)s3)on2)c1 ZINC000653840736 HH Annotated Anodyne Cc1sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1[C@@H]1C[C@H]1C#N ZINC000653842866 HH Annotated Mild O=c1c(Nc2cc(F)c(F)c(F)c2)c(N[C@@H]2CCCC[C@H]2N2CCCCC2)c1=O ZINC000653842890 HH Annotated Anodyne COc1cc(C(=O)N[C@@H](CNCc2cc(C)c(OC)cc2C)c2ccccc2)no1 ZINC000653844008 HH Annotated Anodyne COc1cc(C(=O)N[C@H](CNCc2cc(C)c(OC)cc2C)c2ccccc2)no1 ZINC000653844009 HH Annotated Anodyne O=C(Cc1cc2c(cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)C2=O)c1cccs1 ZINC000653844272 HH Annotated Bother O=C(COC(=O)Cc1ccc(Cl)cc1)N=c1c2c([nH]c3ccccc13)CCCC2 ZINC000653844324 HH Annotated Anodyne COc1cccc([C@@H](CNCc2cc(C)c(OC)cc2C)NC(=O)c2cc(C)on2)c1 ZINC000653846193 HH Annotated Anodyne COc1cccc([C@H](CNCc2cc(C)c(OC)cc2C)NC(=O)c2cc(C)on2)c1 ZINC000653846194 HH Annotated Anodyne COc1cc(C)c(CNC[C@H](NC(=O)c2cc(C)on2)c2ccccc2OC)cc1C ZINC000653846247 HH Annotated Anodyne COc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccccc2OC)cc1C ZINC000653846250 HH Annotated Anodyne Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)COC(=O)N4)cc2)cn1 ZINC000653846527 HH Annotated Anodyne COc1ccc([C@@H](CNCc2cc(C)c(OC)cc2C)NC(=O)c2cc(C)on2)cc1 ZINC000653847526 HH Annotated Anodyne COc1ccc([C@H](CNCc2cc(C)c(OC)cc2C)NC(=O)c2cc(C)on2)cc1 ZINC000653847527 HH Annotated Anodyne Cc1sc2nc(Cc3cccc(C(F)(F)F)c3F)cc(=O)n2c1[C@H]1C[C@H]1CO ZINC000653847607 HH Annotated Anodyne Cc1sc2nc(Cc3cccc(C(F)(F)F)c3F)cc(=O)n2c1[C@@H]1C[C@@H]1CO ZINC000653847608 HH Annotated Anodyne Cc1sc2nc(Cc3cccc(C(F)(F)F)c3F)cc(=O)n2c1[C@@H]1C[C@H]1CO ZINC000653847609 HH Annotated Anodyne Cc1sc2nc(Cc3cccc(C(F)(F)F)c3F)cc(=O)n2c1[C@H]1C[C@@H]1CO ZINC000653847610 HH Annotated Anodyne O=C1O[C@@]2(C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)c2ccccc21 ZINC000653847613 HH Annotated Bother O=C1O[C@]2(C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)c2ccccc21 ZINC000653847614 HH Annotated Bother Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1 ZINC000653850176 HH Annotated Anodyne CN(CCCCNC(=O)c1cc2ccccc2o1)[C@@H]1Cc2cccc3nc(O)n(c23)C1 ZINC000653850799 HH Annotated Anodyne Cc1ccc(N(CC(=O)Nc2ccc(C#N)cc2)S(=O)(=O)Cc2ccccc2)cc1 ZINC000653850801 HH Annotated Mild Cc1cncc(CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)n1 ZINC000653850846 HH Annotated Anodyne CC1(C)NC(=O)c2ccc(-n3c(O)nc4ncccc43)cc2N1CCc1ccccc1 ZINC000653850974 HH Annotated Anodyne O=C(COC(=O)Cc1c[nH]c2ccccc12)N=c1c2c([nH]c3ccccc13)CCCC2 ZINC000653854415 HH Annotated Anodyne C/C=C/C=C/[C@@H]1CC[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)C1=C(O)[C@H]([C@@H](C)O)NC1=O ZINC000653856196 HH Annotated Mild C/C=C/C=C/[C@@H]1CC[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)C1=C(O)[C@H]([C@H](C)O)NC1=O ZINC000653856198 HH Annotated Mild C=C([C@H]1CC[C@@](C)(O)[C@@H](Br)C1)[C@H]1[C@H](O)[C@@H]2[C@@H](CC[C@@]2(C)O)C1(C)C ZINC000653857959 HH Annotated Reactive Nc1ccc(-n2ccc(=O)c3c(=O)n(CC4CC=CC4)ccc32)cc1C(F)(F)F ZINC000653858597 HH Annotated Anodyne CC(C)(C)OC(=O)NCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000653859616 HH Annotated Mild CC(C)(C)OC(=O)NCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000653859617 HH Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc(C)c1 ZINC000653859647 HH Annotated Anodyne O=C(/C(O)=C\c1ccc(I)o1)n1c(S)nc2ccccc21 ZINC000653862703 HH Annotated Anodyne COCCOc1nc(-c2cccc(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 ZINC000653862967 HH Annotated Reactive COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)s1 ZINC000653864102 HH Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1oc(C)cc1C ZINC000653864119 HH Annotated Anodyne Cn1ncc(Cl)c1-c1csc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1 ZINC000653864145 HH Annotated Anodyne C=Cc1ccoc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC ZINC000653864180 HH Annotated Anodyne Cn1cc2cc(-c3cc(F)c(Cn4c(=O)cnc5ncccc54)c(F)c3)ccc2n1 ZINC000653866728 HH Annotated Anodyne CC(C)c1ccc(/N=C/c2cccc(B3OC[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4O3)c2)cc1 ZINC000653870749 HH Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc(F)c1 ZINC000653873024 HH Annotated Anodyne N#Cc1ccc(/C=C/c2nc3cc(N)ccc3c(=O)n2-c2cccc(C(=O)O)c2)cc1 ZINC000653876707 HH Annotated Mild CC(C)Oc1cc2ncnc(Nc3ccc(F)c([N+](=O)[O-])c3)c2c2c1OCCO2 ZINC000653878477 HH Annotated Bother NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccco4)nc3)c2)c1 ZINC000653878859 HH Annotated Anodyne O=C1C(=Cc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)C(=O)c2ccccc21 ZINC000653882895 HH Annotated Mild Cn1cnc2ccc(-c3cc(F)c(Cn4cnc5cnccc5c4=O)c(F)c3)cc21 ZINC000653884636 HH Annotated Anodyne C#Cc1ccc(Cn2ccnc2CCc2c(Cl)c(O)cc(O)c2C(=O)OC)cc1 ZINC000653887151 HH Annotated Mild O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3ccccc3Cl)O2)n1 ZINC000653887152 HH Annotated Anodyne NC(=O)c1cccc(-n2c(/C=C/c3ccc(Cl)cc3)nc3ccncc3c2=O)c1 ZINC000653887842 HH Annotated Anodyne Cc1nc(-c2ccccc2Cl)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 ZINC000653888078 HH Annotated Reactive CCOC(=O)CC12C[C@H]3C[C@@H](CC(CC(=O)N/N=C/c4ccc([N+](=O)[O-])o4)(C3)C1)C2 ZINC000653889471 HH Annotated Reactive CCOC(=O)CN(Cc1ccccc1)c1nc(Nc2ccccc2)ncc1[N+](=O)[O-] ZINC000653893447 HH Annotated Bother O=C1C=C2C(C#Cc3ccc(N4CCCCC4)cc3)=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 ZINC000653893452 HH Annotated Mild O=C(NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(O)cc1 ZINC000653895418 HH Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3CCCOc3ccccc3)O2)n1 ZINC000653895473 HH Annotated Anodyne CC(C)c1ccc(/N=C/c2ccc(B3OC[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4O3)cc2)cc1 ZINC000653899284 HH Annotated Mild N=C(NN[C@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1)c1ccccn1 ZINC000653899292 HH Annotated Anodyne N=C(NN[C@@H](CC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1)c1ccccn1 ZINC000653899293 HH Annotated Anodyne N#Cc1c2c(c(O)c3ncc(Cc4cccc(Cl)c4F)cc13)C(=O)N1CCCN1C2 ZINC000653899346 HH Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(F)cc1 ZINC000653901762 HH Annotated Anodyne Nc1nc(O)c2nc(SCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2n1 ZINC000653903324 HH Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3COc3cccc(Cl)c3)O2)n1 ZINC000653905297 HH Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/COc3ccccc3)O2)n1 ZINC000653905781 HH Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 ZINC000653912776 HH Annotated Reactive Cc1nc(-c2cccc(Cl)c2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 ZINC000653912895 HH Annotated Reactive O=C1C(O)=C([C@@H](NCCCCl)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000653913880 HH Annotated Reactive O=C1C(O)=C([C@H](NCCCCl)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000653913881 HH Annotated Reactive CCOc1ncc(Nc2cc(NCCC3CCOCC3)nc3ccnn23)cc1F ZINC000653915614 HH Annotated Anodyne Nc1ccc(-n2ccc(=O)c3c(=O)n(Cc4ccccc4)ccc32)cc1C(F)(F)F ZINC000653915686 HH Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1 ZINC000653916432 HH Annotated Anodyne COc1ccc(C2=NN(c3nnc(S)n3-c3ccc(Cl)cc3)C(=O)CC2)cc1 ZINC000066066072 HH Annotated Anodyne Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(NC(=O)CO)c2)c1 ZINC000066066083 HH Annotated Anodyne Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(NC(=O)CN)c2)c1 ZINC000066066408 HH Annotated Anodyne O=C(O)c1cc(CN2CCc3cc(-c4ccncc4)ccc3C2)c2ccccn2c1=O ZINC000066066455 HH Annotated Anodyne CC(C)N1C(=O)C(=O)N=C1/N=C(\NCC(C)(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000066073723 HH Annotated Mild CC(C)OC(=O)N1CCC([C@@H](C)CNC(=O)Cc2c(F)ccc(F)c2F)CC1 ZINC000066073963 HH Annotated Anodyne CC(C)OC(=O)N1CCC([C@H](C)CNC(=O)Cc2c(F)ccc(F)c2F)CC1 ZINC000066073964 HH Annotated Anodyne C[C@@H](CNC(=O)Cc1c(F)ccc(F)c1F)C1CCN(C(=O)OC2(C)CC2)CC1 ZINC000066073965 HH Annotated Anodyne C[C@H](CNC(=O)Cc1c(F)ccc(F)c1F)C1CCN(C(=O)OC2(C)CC2)CC1 ZINC000066073966 HH Annotated Anodyne c1ccc2ncc(Nc3cc(-c4cnc5[nH]ncc5c4)nc(N4CCOCC4)n3)cc2c1 ZINC000066074310 HH Annotated Anodyne NCCNC(=O)C(CN)(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000066074383 HH Annotated Anodyne CC1(OC(=O)N2CCC([C@@H](F)CNC(=O)Cc3c(F)ccc(F)c3F)CC2)CC1 ZINC000066075500 HH Annotated Anodyne O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1 ZINC000066076309 HH Annotated Bother CNC(=O)c1cc(CSc2ncccc2C(=O)Nc2cc(C)cc(C)c2)ccn1 ZINC000066080214 HH Annotated Anodyne CCCCCN/C=C1\C(=O)CC[C@]2(C)C1=C(O)C(=O)c1cc3c(cc12)C(=O)C=CC3=O ZINC000066099283 HH Annotated Mild CCCCCN1CCN(c2nc(N)nc3sc(-c4ccc(F)cc4)nc23)CC1 ZINC000066100069 HH Annotated Anodyne CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)ncc21 ZINC000066100290 HH Annotated Anodyne CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)cnc21 ZINC000066100292 HH Annotated Anodyne C/C=C(/C)C(=O)O[C@@H](C)c1nc(C(=O)N/C=C/C(=O)OC)cc2c1[nH]c1ccccc12 ZINC000066102713 HH Annotated Anodyne COc1cc(-c2nnc3n2CCCN3Cc2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066103785 HH Annotated Anodyne CC1(OC(=O)N2CCC([C@H](F)CNC(=O)Cc3c(F)ccc(F)c3F)CC2)CC1 ZINC000066104375 HH Annotated Anodyne CN(CCO)Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)ns1 ZINC000066105058 HH Annotated Anodyne C[C@@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)c1cccnc1)CC3 ZINC000066111913 HH Annotated Anodyne CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000066111931 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(CC(C)=CC[C@H](COc3ccccc3)O2)c2ccccc21 ZINC000066123532 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(CC(C)=CC[C@H](COc3ccccc3)O2)c2ccccc21 ZINC000066123534 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(CC(C)=CC[C@@H](COc3ccccc3)O2)c2ccccc21 ZINC000066123536 HH Annotated Anodyne CC(C)CCNC(=O)[C@H](Cc1ccccc1)N/C=C1\C(=O)Nc2ccc(Cl)cc21 ZINC000066123597 HH Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@]3(OCCC=C[C@@H]3C)c3cc(OC)ccc32)cc1 ZINC000066123631 HH Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@@]3(OCCC=C[C@H]3C)c3cc(OC)ccc32)cc1 ZINC000066123633 HH Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@@]3(OCCC=C[C@@H]3C)c3cc(OC)ccc32)cc1 ZINC000066123635 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(O[C@@H](C)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000066136617 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(O[C@@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000066136619 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(O[C@@H](C)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000066136620 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(OC[C@H]3Cc4ccccc4[C@H]3C=C2C)c2ccccc21 ZINC000066148108 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(OC[C@H]3Cc4ccccc4[C@@H]3C=C2C)c2ccccc21 ZINC000066148115 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(OC[C@H]3Cc4ccccc4[C@@H]3C=C2C)c2ccccc21 ZINC000066148117 HH Annotated Anodyne CCCCS(=O)(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3 ZINC000066156411 HH Annotated Anodyne COc1ccc([C@@]23Cc4cc(OC)c(OC)cc4[C@@H](O2)c2c(cc(C)oc2=O)O3)cc1 ZINC000066157097 HH Annotated Anodyne Cc1cc([C@H](O)C[N+](=O)[O-])cc(C)c1Oc1ccc(N)c(Nc2ccc(C#N)cc2)n1 ZINC000066157174 HH Annotated Mild Cc1cc([C@@H](O)C[N+](=O)[O-])cc(C)c1Oc1ccc(N)c(Nc2ccc(C#N)cc2)n1 ZINC000066157175 HH Annotated Mild CCN(CC)CCN1c2ccccc2Cn2c1nc1c(Nc3ccccc3)ncnc12 ZINC000066165952 HH Annotated Anodyne COc1ccc2c(c1)CO[C@H]([C@H](O)CO)[C@@H]2/C=C/C#Cc1ccc(C(C)(C)C)cc1 ZINC000066167187 HH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cc3)nc1)C2 ZINC000066251275 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(C(F)(F)F)cc3)ccn1)C2 ZINC000066251622 HH Annotated Bother N#Cc1cncnc1NC(=O)COc1ccc(/C=C/C(=O)c2c[nH]c3ccccc23)cc1 ZINC000066251656 HH Annotated Mild Cc1cc(O)nc(/C(=N/Nc2cccc([N+](=O)[O-])c2)C(=O)c2ccc(Cl)cc2)n1 ZINC000066251779 HH Annotated Mild Cc1cc(O)nc(/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(Cl)cc2)n1 ZINC000066251780 HH Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)nc3)cc1)C2 ZINC000066251785 HH Annotated Bother Cc1ccc(-n2nc3c4cc(CCc5cccc(O)c5)ccc4nc(O)n3c2=O)cc1 ZINC000066251813 HH Annotated Anodyne Cc1ccc(-n2nc3c4cc(Cc5cccc(F)c5)ccc4nc(O)n3c2=O)cc1 ZINC000066251815 HH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(C(F)(F)F)cn3)c1)C2 ZINC000066252501 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(C(F)(F)F)nc3)c1)C2 ZINC000066252687 HH Annotated Bother Cc1ccc(-n2nc3c4cc(CCc5ccsc5)ccc4nc(O)n3c2=O)cc1 ZINC000066252848 HH Annotated Anodyne CCCCC[C@@H]1OO[C@H](CC(=O)OCC)[C@@H](Br)[C@@H]1Br ZINC000066258387 HH Annotated Reactive CO[C@@H]1CC=C2NN(c3cc(Cl)cc(Cl)c3)C(=O)C[C@]2(c2ccncc2)O1 ZINC000066258807 HH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccnc(-c3ccc(C(F)(F)F)cc3)c1)C2 ZINC000066259235 HH Annotated Bother CCCCC[C@@H]1OO[C@H](CC(=O)OCC)[C@H](Br)[C@H]1Br ZINC000066259402 HH Annotated Reactive CC(C)c1cc(C(=O)NCCN(C)C)c(NC(=O)Nc2ccc3[nH]ncc3c2)s1 ZINC000066259492 HH Annotated Anodyne O=C(c1ccc([N+](=O)[O-])cc1)n1c(-c2ccc(S(=O)(=O)O)cc2)nc2ccccc21 ZINC000066262299 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2 ZINC000066262715 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cncc(-c3ccc(C(F)(F)F)cc3)c1)C2 ZINC000066263135 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cn3)cc1)C2 ZINC000066263197 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(C(F)(F)F)cc3)n1)C2 ZINC000066263773 HH Annotated Bother COc1ccc(O)c(CN2CCOc3c(cc(-c4cccc(OC)n4)cc3OC)C2)c1 ZINC000067690624 HH Annotated Clean CC1=C(C#N)C(c2ccc3[nH]nc(OCCN4CCCCC4)c3c2)C(C#N)=C(C)N1 ZINC000068151700 HH Annotated Reactive COc1cnc2ccc([C@H](C)n3nnc4ccn(-c5cc(C)ns5)c(=O)c43)cc2c1 ZINC000068152015 HH Annotated Anodyne Cc1cc(C(N)=O)ccc1-c1c(-c2ccc(-n3ccnc3)cc2)ccn1CCC(=O)O ZINC000068198705 HH Annotated Anodyne Cc1cc(C(N)=O)ccc1-c1c(CCC(=O)O)ccn1-c1ccc(-n2ccnc2)cc1 ZINC000068198706 HH Annotated Anodyne Fc1ccc(Nc2ncnc3sc4c(c23)CCNC4)c(OC2CCOCC2)c1 ZINC000068199777 HH Annotated Anodyne Oc1ccc(-n2c(CCc3nnn[nH]3)ccc2-c2ccc(Br)cc2)cc1 ZINC000068201296 HH Annotated Clean CC1=C[C@@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@@H]3O2)O[C@@H](/C=C(\C)C/C=C/C(C)(C)O)C1 ZINC000068203417 HH Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/[C@H]1CC(C)=C[C@@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@@H]3O2)O1 ZINC000068203422 HH Annotated Mild CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000068208102 HH Annotated Anodyne Cc1noc(-c2cc3cc(-c4[nH]c(C(=O)NCc5ccncc5)nc4C)ccc3[nH]2)n1 ZINC000068208327 HH Annotated Anodyne CCCOc1ccc(C)nc1C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CNc1cnc(C)c(C)n1 ZINC000068208626 HH Annotated Anodyne Cc1ccc(NC[C@@H]2C[C@H]3C[C@H]3CN2C(=O)c2nc(C)ccc2OCC2CC2)nc1 ZINC000068208631 HH Annotated Anodyne CC1(c2cc(NC(=O)n3ccc4cc(Oc5ncnc6c5CNC6)ccc43)[nH]n2)CC1 ZINC000068208750 HH Annotated Anodyne Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2cc(F)c(Br)cc2F)n1 ZINC000068244764 HH Annotated Anodyne COCCCNCc1ccc2c(c1)C[C@H](N(C)C(=O)c1ccc(OCC3CC3)cc1)C2 ZINC000068245825 HH Annotated Anodyne COc1cc(C(=O)NCc2nnc(-c3cccc(Cl)c3)o2)ccc1-n1cnc(C)c1 ZINC000068246352 HH Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(Br)cnc2C1 ZINC000068247208 HH Annotated Anodyne CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12c1cc(F)ccc1OC[C@H]2CCN ZINC000068248852 HH Annotated Anodyne COc1ccc(NC(=O)N2CCc3nc(-c4cc5ccccc5[nH]c4=O)[nH]c3C2)cc1 ZINC000068267331 HH Annotated Anodyne CCOc1ccc(CNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1 ZINC000007005186 HH Annotated Anodyne Cc1cc(-c2ccc(C)c(S(=O)(=O)NCC3CCN(CCC(C)C)CC3)c2)on1 ZINC000007005379 HH Annotated Anodyne CN(c1ccc(-c2csc(Cc3nc4ccccc4n3C)n2)cc1)S(C)(=O)=O ZINC000007119367 HH Annotated Anodyne Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000007140962 HH Annotated Anodyne aggregator Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000007140963 HH Annotated Anodyne Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000007140964 HH Annotated Anodyne aggregator Cc1ccc(-c2nc(N)sc2CC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000007140965 HH Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc(/C(C)=N/Nc2ccc(C(=O)O)cc2)c1C ZINC000007159247 HH Annotated Mild COc1ccc2c(c1O)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@@H]3CCCN[C@H]3[C@H]2C1 ZINC000070454057 HH Annotated Anodyne in-vitro biogenic CCCc1cc(=O)oc2c(C(=O)N3CCc4ccccc4C3)c(OC)cc(OC)c12 ZINC000070463287 HH Annotated Anodyne COc1ccc(CNc2nc(N[C@@H](CO)CC(C)C)nc3c2NCN3C(C)C)cc1 ZINC000070719195 HH Annotated Anodyne CCCc1cnc(N)c(CNC(=S)Nc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000071281623 HH Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3c2ccc2ccc(O)cc32)cc(OC)c1OC ZINC000071281664 HH Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3c2ccc2ccc(O)cc32)cc(OC)c1OC ZINC000071281666 HH Annotated Anodyne CCCCOC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 ZINC000071294289 HH Annotated Anodyne C=CC/N=c1\cc[nH]c2sc3c(=O)n(-c4ccc(Br)cc4)cnc3c12 ZINC000071294331 HH Annotated Mild CC(C)(C)OC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 ZINC000071294439 HH Annotated Anodyne C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000071294816 HH Annotated Anodyne COc1ccc(-c2ccn(CC(F)(F)C(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000071295237 HH Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3c2ccc2c(O)cccc32)cc(OC)c1OC ZINC000071295464 HH Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3c2ccc2c(O)cccc32)cc(OC)c1OC ZINC000071295465 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(NC(=S)NCc2nc(C3CC3)cnc2N)cc1 ZINC000071295552 HH Annotated Anodyne CC(C)C[C@H](N)C(=O)Nc1ccc(/C=C/C2=C(C#N)C(=C(C#N)C#N)OC2(C)C)cc1 ZINC000071296474 HH Annotated Reactive CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4ccccc4)n3)C2)c2ncccc21 ZINC000071296522 HH Annotated Anodyne CC(C)(C)N/C(O)=N/S(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000071296814 HH Annotated Mild OCCNc1nc(NCCc2ccccc2)c2cnn(/C=C\c3ccccc3)c2n1 ZINC000071297029 HH Annotated Anodyne Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000071316193 HH Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000071316194 HH Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000071316195 HH Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000071316196 HH Annotated Mild COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4nc(C)sc4c32)ccc1[N+](=O)[O-] ZINC000071316621 HH Annotated Bother COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4nc(C)sc4c32)ccc1[N+](=O)[O-] ZINC000071316622 HH Annotated Bother C[C@@H]1c2cc(Br)c(O)c(Br)c2OC(=O)[C@@H]1Br ZINC000071317028 HH Annotated Reactive C[C@H]1c2cc(Br)c(O)c(Br)c2OC(=O)[C@@H]1Br ZINC000071317029 HH Annotated Reactive C[C@@H]1c2cc(Br)c(O)c(Br)c2OC(=O)[C@H]1Br ZINC000071317030 HH Annotated Reactive C[C@H]1c2cc(Br)c(O)c(Br)c2OC(=O)[C@H]1Br ZINC000071317031 HH Annotated Reactive CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(C#N)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 ZINC000071317239 HH Annotated Mild CC(C)c1ccc([C@H]2C(C(=O)c3ccc(C#N)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 ZINC000071317240 HH Annotated Mild CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(C#N)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 ZINC000071317241 HH Annotated Mild CC(C)c1ccc([C@H]2C(C(=O)c3ccc(C#N)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 ZINC000071317242 HH Annotated Mild COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4cc(C)[nH]c4c32)cc(OC)c1OC ZINC000071317676 HH Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4cc(C)[nH]c4c32)cc(OC)c1OC ZINC000071317677 HH Annotated Anodyne COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000071317991 HH Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000071317992 HH Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000071317993 HH Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000071317994 HH Annotated Mild CC1=C2OCCCCCCN3C(=O)[C@@](O)(c4cc(Cl)ccc43)[C@@]2(C)SC1=O ZINC000071318153 HH Annotated Mild CC1=C2OCCCCCCN3C(=O)[C@@](O)(c4cc(Cl)ccc43)[C@]2(C)SC1=O ZINC000071318154 HH Annotated Mild CC1=C2OCCCCCCN3C(=O)[C@](O)(c4cc(Cl)ccc43)[C@@]2(C)SC1=O ZINC000071318155 HH Annotated Mild CC1=C2OCCCCCCN3C(=O)[C@](O)(c4cc(Cl)ccc43)[C@]2(C)SC1=O ZINC000071318156 HH Annotated Mild CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4cccs4)n3)C2)c2ncccc21 ZINC000071318508 HH Annotated Anodyne CC(C)(C)N/C(O)=N/S(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000071318882 HH Annotated Mild CCn1c(=O)n([C@H]2CCCN(c3nccc(-c4ccc(F)cc4)n3)C2)c2ncccc21 ZINC000071318983 HH Annotated Anodyne O=C(c1cccc2ccccc12)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] ZINC000071319385 HH Annotated Anodyne O=C(NCc1cc(=O)n2c(c1C1CC1)SC[C@H]2C(=O)O)c1cccc2ccccc12 ZINC000071329197 HH Annotated Anodyne COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000071329452 HH Annotated Mild COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000071329453 HH Annotated Mild COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000071329454 HH Annotated Mild COc1cccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000071329455 HH Annotated Mild O=C1c2ccccc2-c2nc3nc(O)[nH]c(=O)c3c(-c3ccc(C(F)(F)F)cc3)c21 ZINC000071329504 HH Annotated Clean CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#Cc3nccs3)CC[C@@H]12 ZINC000071329527 HH Annotated Reactive CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#Cc3nccs3)CC[C@H]12 ZINC000071329528 HH Annotated Reactive Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000071329818 HH Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000071329819 HH Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000071329820 HH Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000071329821 HH Annotated Mild COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4ncsc4c32)cc(OC)c1OC ZINC000071329857 HH Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4ncsc4c32)cc(OC)c1OC ZINC000071329858 HH Annotated Anodyne O=C1/C(=C/c2ccccc2)CN(C(=O)CCSCCO)C/C1=C\c1ccccc1 ZINC000071330159 HH Annotated Mild O=C(c1cn(CC(F)(F)F)cn1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071330276 HH Annotated Anodyne CC[C@H]1S/C(=N\N=C2/C(=O)Nc3ccc(Cl)cc32)N(c2ccc(O)cc2)C1=O ZINC000071330655 HH Annotated Mild CC[C@@H]1S/C(=N\N=C2/C(=O)Nc3ccc(Cl)cc32)N(c2ccc(O)cc2)C1=O ZINC000071330657 HH Annotated Mild COc1ccc(C)cc1Cn1c(C(=O)NCC(C)(C)CO)cc2cc(C#N)ccc21 ZINC000071330987 HH Annotated Mild O=[N+]([O-])c1ccc2c3c(n(CCN4CCCCC4)cc13)-c1ccccc1S2(=O)=O ZINC000071333839 HH Annotated Bother COc1cc(O)c(Br)cc1/C=C/C(=O)c1cc2c(cc1N(C)C)OCO2 ZINC000071340346 HH Annotated Mild O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]1(O)c1ccc2c(c1)OCCO2 ZINC000071340624 HH Annotated Anodyne O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@@]1(O)c1ccc2c(c1)OCCO2 ZINC000071340625 HH Annotated Anodyne Cc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000071341602 HH Annotated Anodyne O=C1NC(=O)[C@](Cc2ccccc2)(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)O1 ZINC000071405030 HH Annotated Anodyne O=C1NC(=O)[C@@](Cc2ccccc2)(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)O1 ZINC000071405031 HH Annotated Anodyne CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCN(C2CCCCC2)CC1 ZINC000071928002 HH Annotated Anodyne O=C(c1ccccc1)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072100994 HH Annotated Anodyne O=C(c1ccccc1)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072100995 HH Annotated Anodyne Cc1nc(C(=O)NC2CCN([C@@H](c3ccc(C#N)cc3)c3cccnc3)CC2)cs1 ZINC000072101466 HH Annotated Mild Cc1nc(C(=O)NC2CCN([C@H](c3ccc(C#N)cc3)c3cccnc3)CC2)cs1 ZINC000072101467 HH Annotated Mild Cc1noc(N2CCN([C@@H](c3cccnc3)c3ccc(C(F)(F)F)cc3F)CC2)n1 ZINC000072101520 HH Annotated Anodyne Cc1noc(N2CCN([C@H](c3cccnc3)c3ccc(C(F)(F)F)cc3F)CC2)n1 ZINC000072101521 HH Annotated Anodyne CCOc1ccc(Oc2cc(/C(=N/O)N3CCN(C4CCCC4)CC3)ccn2)cc1 ZINC000072101567 HH Annotated Mild CCN(CC)C(=O)NC1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072101715 HH Annotated Anodyne CCN(CC)C(=O)NC1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072101716 HH Annotated Anodyne Cc1ncsc1C(=O)NC1CCN([C@@H](c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000072101959 HH Annotated Mild Cc1ncsc1C(=O)NC1CCN([C@H](c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000072101960 HH Annotated Mild COc1cccc(Oc2ccc(/C(=N/O)N3CCN(c4ccc(F)cc4)CC3)cn2)c1 ZINC000072102458 HH Annotated Mild O=C(NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)C1CC1 ZINC000072102461 HH Annotated Anodyne O=C(NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)C1CC1 ZINC000072102462 HH Annotated Anodyne O=S(=O)(Cc1ccccc1)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072102839 HH Annotated Anodyne O=S(=O)(Cc1ccccc1)N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072102840 HH Annotated Anodyne Cc1noc(C)c1C(=O)NC1CCN([C@@H](c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000072102898 HH Annotated Mild Cc1noc(C)c1C(=O)NC1CCN([C@H](c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000072102899 HH Annotated Mild C=CCc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCN(CC=C)CC2)c(OC)c1 ZINC000072103681 HH Annotated Mild CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072104323 HH Annotated Anodyne CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072104324 HH Annotated Anodyne CCCCn1nnnc1[C@@H](c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072104359 HH Annotated Anodyne CCCCn1nnnc1[C@H](c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072104360 HH Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1NC(=N)NCc1ccccc1)C1CCCCC1 ZINC000072106671 HH Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1NC(=N)NCc1ccc(F)cc1)C1CCCCC1 ZINC000072106672 HH Annotated Anodyne COc1cc2c(cc1O)[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C)[C@@H](COC(C)=O)C2 ZINC000072107142 HH Annotated Anodyne O=c1cnc2cc(N3CCOCC3)c(Nc3nc(-c4ccccc4)cs3)cc2[nH]1 ZINC000072108013 HH Annotated Anodyne CN1CCN(c2cc3ncc(=O)[nH]c3cc2Nc2nc(-c3ccccc3)cs2)CC1 ZINC000072108480 HH Annotated Anodyne COc1cc([C@@H]2C(C)=NN(C(C)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000072108645 HH Annotated Bother O=C(NCc1ccc2c(c1)[nH]c(=O)n2-c1cc(Cl)c(O)cc1O)Nc1ccccc1 ZINC000072108821 HH Annotated Anodyne O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCCn1cncn1 ZINC000072108838 HH Annotated Anodyne Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(C)(C)N)C3)cc1 ZINC000072108841 HH Annotated Anodyne CC(C)(N)C(=O)N1CCn2c(nc(-c3cccc(F)c3)c2Nc2ccc(F)cc2)C1 ZINC000072108911 HH Annotated Anodyne CC(C)(N)C(=O)N1CCn2c(nc(-c3ccccc3F)c2Nc2ccc(F)cc2)C1 ZINC000072109100 HH Annotated Anodyne NCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(Cl)c(F)c2)C1 ZINC000072109391 HH Annotated Anodyne CC(C)(N)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)C1 ZINC000072109967 HH Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000072111045 HH Annotated Anodyne Nc1ncc(I)c(-c2c[nH]c3c(Br)cccc23)n1 ZINC000072111171 HH Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCN(N(C)C)CN1C3 ZINC000072112363 HH Annotated Bother COc1cccc(CN2c3nccc[n+]3C[C@@]2(O)c2ccc(Cl)c(Cl)c2)c1 ZINC000072112732 HH Annotated Anodyne CCOC(=O)CC1=C(NC(C)=O)Oc2ccc(-c3ccccc3)cc2[C@@H]1C(=O)OCC ZINC000072113288 HH Annotated Anodyne CCOC(=O)CC1=C(NC(C)=O)Oc2ccc(-c3ccccc3)cc2[C@H]1C(=O)OCC ZINC000072113289 HH Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCN(N(C)C)CN1C3 ZINC000072113335 HH Annotated Bother COc1ccc(CN2C[C@@H]3CCC[N+]4([O-])CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)cc1 ZINC000072113480 HH Annotated Bother O=S(=O)(c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cn1)N1CCCC1 ZINC000072113622 HH Annotated Anodyne CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H]1N=C(/C=C/c2ccccc2)O[C@@H]1c1ccccc1 ZINC000072113624 HH Annotated Anodyne CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@@H]1N=C(/C=C/c2ccccc2)O[C@@H]1c1ccccc1 ZINC000072113718 HH Annotated Anodyne COc1cc(-c2cn(Cc3cccc(-n4cccn4)c3)nn2)ccc1-n1cnc(C)c1 ZINC000072114177 HH Annotated Anodyne CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(OC)cc3)cc21 ZINC000072114180 HH Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(OC)cc3)cc21 ZINC000072114181 HH Annotated Anodyne CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccccc3OC)cc21 ZINC000072114205 HH Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccccc3OC)cc21 ZINC000072114206 HH Annotated Anodyne Cc1cccc(Nc2nc(-c3ccncc3C#CCN3CCN(C)CC3)cs2)c1 ZINC000072114296 HH Annotated Mild CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(OC)c3)cc21 ZINC000072114506 HH Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(OC)c3)cc21 ZINC000072114507 HH Annotated Anodyne O=S(=O)(c1ncccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1)N1CCCC1 ZINC000072114552 HH Annotated Anodyne O=S(=O)(c1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)nc1)N1CCCC1 ZINC000072114860 HH Annotated Anodyne CO[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1ccc(CNCC(C)C)cc1 ZINC000072114925 HH Annotated Anodyne O=S(=O)(c1cccnc1-c1ccc(CN2C[C@@H]3CCC[C@H]2C3)cc1)N1CCCC1 ZINC000072115038 HH Annotated Anodyne CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCOC[C@H]2C)cc1 ZINC000072116325 HH Annotated Anodyne CCc1cc(=O)c2ccc(OC)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116658 HH Annotated Anodyne CCc1cc(=O)c2ccc(OC)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116659 HH Annotated Anodyne CC(C)N1CC(=O)N=C1N/C(=N\C(=O)C(C)(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000072116669 HH Annotated Mild CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCOC[C@H]2C)cc1F ZINC000072116773 HH Annotated Anodyne COc1ccc(-c2noc(-c3ccc(C)cc3)c2S(=O)(=O)CC2=NCCO2)cc1 ZINC000072116788 HH Annotated Anodyne COC1=CC(=O)c2cc(-c3ccc(OC)c(O)c3)c3cc(O)c(OC)cc3c2C1=O ZINC000072118565 HH Annotated Mild Cc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000072119926 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)C2CCCCC2)cc1 ZINC000072119928 HH Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@H](O)CN2Cc2cccs2)cc1 ZINC000072120545 HH Annotated Anodyne COc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2Cc2cccs2)cc1 ZINC000072120547 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(CC(C)=C[C@H](COCc3ccccc3)O2)c2ccccc21 ZINC000072121425 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(CC(C)=C[C@H](COCc3ccccc3)O2)c2ccccc21 ZINC000072121426 HH Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(CC(C)=C[C@@H](COCc3ccccc3)O2)c2ccccc21 ZINC000072121427 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000072122009 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000072122010 HH Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)s1 ZINC000072122890 HH Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(C(F)(F)F)cc3)nc1)C2 ZINC000072122923 HH Annotated Bother NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c1[nH]c1cc(-c3cn[nH]c3)ccc12 ZINC000072123172 HH Annotated Anodyne C=C[C@@]1(C)CC[C@H](/C(C)=C/C=C/C(C)(C)O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@H]1C(=C)C ZINC000072123265 HH Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(C(F)(F)F)cc3)ccn1)C2 ZINC000072124382 HH Annotated Bother CN(C)C(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000072124403 HH Annotated Anodyne CC(C)(CN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O)c1cccc(F)c1 ZINC000072124576 HH Annotated Anodyne CC(C)(CN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O)c1cccc(F)c1 ZINC000072124577 HH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(OCc3ccccc3)cc1)C2 ZINC000072124593 HH Annotated Bother Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1cc(-n2ccnc2)cs1 ZINC000072124609 HH Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(OC(F)(F)F)cc3)ccn1)C2 ZINC000072124650 HH Annotated Bother O=C1CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C(=O)N1C1CC1 ZINC000072124744 HH Annotated Anodyne CCN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O ZINC000072124884 HH Annotated Anodyne COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(N)cc2)cc1 ZINC000072124960 HH Annotated Clean CCCN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O ZINC000072125025 HH Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2cccn2)cc1 ZINC000072125076 HH Annotated Clean Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2cn[nH]c2)cc1 ZINC000072125077 HH Annotated Clean CC(C)N1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C1=O ZINC000072125098 HH Annotated Anodyne O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1C1CC1 ZINC000072125099 HH Annotated Anodyne O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1CC1CC1 ZINC000072125169 HH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccnc(-c3ccc(C(F)(F)F)cc3)c1)C2 ZINC000072125226 HH Annotated Bother Cn1cc(-c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(NC(C4CC4)C4CC4)c23)cn1 ZINC000072125778 HH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 ZINC000072125837 HH Annotated Bother N#CSCCCCN1C(=O)C(=O)c2cc(Br)cc(Br)c21 ZINC000072125882 HH Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccnc(-c3ccc(OC(F)(F)F)cc3)c1)C2 ZINC000072125886 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(OCc3ccccc3)cc1)C2 ZINC000072125948 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 ZINC000072126024 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2 ZINC000072126026 HH Annotated Bother Nc1nc2cnc(N3CCC(Oc4cc(F)ccc4Br)CC3)nc2s1 ZINC000072126078 HH Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cccc(-c3ccc(C(F)(F)F)cc3)n1)C2 ZINC000072126132 HH Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(C(F)(F)F)nc3)cc1)C2 ZINC000072126189 HH Annotated Bother COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2cccc(N)c2)cc1 ZINC000072126267 HH Annotated Anodyne Nc1c(F)c(NCCCc2ccccc2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000072126910 HH Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2nnnn2C2CCCCC2)C2CC2)CC1 ZINC000072134170 HH Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2nnnn2C2CCCCC2)C2CC2)CC1 ZINC000072134171 HH Annotated Anodyne CCCCn1nnnc1[C@@H](CCSC)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072134249 HH Annotated Anodyne CCCCn1nnnc1[C@H](CCSC)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072134250 HH Annotated Anodyne O=C(CCc1ccccc1)N1Cc2cc(N3CCCCC3)ccc2-n2nncc2C1 ZINC000072136078 HH Annotated Clean CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072136096 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000072136097 HH Annotated Anodyne CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(cccc2N2CCCC2)O1 ZINC000072136176 HH Annotated Anodyne CCCCOC[C@@H]1CN(CCCC)S(=O)(=O)c2c(cccc2N2CCCC2)O1 ZINC000072136177 HH Annotated Anodyne COc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 ZINC000072136320 HH Annotated Anodyne COc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 ZINC000072136322 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000072136439 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)C2CCCCC2)cc1 ZINC000072136441 HH Annotated Anodyne CC[C@@H](c1nnnn1Cc1ccccc1)N1CCC(n2c(O)nc3ccccc32)CC1 ZINC000072136650 HH Annotated Anodyne CC[C@H](c1nnnn1Cc1ccccc1)N1CCC(n2c(O)nc3ccccc32)CC1 ZINC000072136651 HH Annotated Anodyne O=S1(=O)C=C[C@@H](COCc2ccccc2)N1Cc1ccc(Br)cc1 ZINC000072136742 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000072136781 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000072136783 HH Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2nnnn2Cc2ccccc2)C2CC2)CC1 ZINC000072136924 HH Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2nnnn2Cc2ccccc2)C2CC2)CC1 ZINC000072136925 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl ZINC000072137503 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 ZINC000072137654 HH Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 ZINC000072137656 HH Annotated Anodyne CC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072137852 HH Annotated Anodyne CC[C@H](c1nnnn1Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072137853 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@@H]1c1ccc(C)cc1 ZINC000072137881 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@H]1c1ccc(C)cc1 ZINC000072137882 HH Annotated Anodyne Cc1nc(NC(=O)C(C)(C)C)sc1C(=O)Cn1cc(CCc2ccccc2)nn1 ZINC000072139454 HH Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1 ZINC000072139527 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@@H]1c1ccc(Cl)cc1 ZINC000072139598 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@H]1c1ccc(Cl)cc1 ZINC000072139599 HH Annotated Anodyne Cc1nc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)no1 ZINC000072139630 HH Annotated Anodyne Cc1nc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)no1 ZINC000072139631 HH Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000072139830 HH Annotated Anodyne CCNC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000072140863 HH Annotated Anodyne COc1cccc(Oc2ccc(/C(=N/O)N3CCN(c4ccccc4)CC3)cn2)c1 ZINC000072140927 HH Annotated Mild COC(=O)C1CCN(/C(=N\O)c2cccnc2Oc2ccccc2OC(C)C)CC1 ZINC000072141256 HH Annotated Mild O[C@H](CNCCN1CCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072141257 HH Annotated Anodyne O[C@@H](CNCCN1CCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072141258 HH Annotated Anodyne CCOc1ccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)co2)cc1 ZINC000072141435 HH Annotated Bother N#Cc1ccnc(N2CCC(N[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)n1 ZINC000072142293 HH Annotated Mild N#Cc1ccnc(N2CCC(N[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)n1 ZINC000072142294 HH Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cccc(-c3ccc(OC(F)(F)F)cc3)n1)C2 ZINC000072142758 HH Annotated Bother C/C=C(\C)C(=O)C[C@H]1C2=COC(/C=C/[C@H](C)[C@@H](C)O)=CC2=C(Cl)C(=O)[C@@]1(C)O ZINC000072170688 HH Annotated Mild C/C=C(\Cl)C(=O)[C@@](C)(O)[C@H]1CC(=O)C(C)=C2C=C(/C=C/[C@@H](C)[C@@H](C)O)OC=C21 ZINC000072171977 HH Annotated Mild C/C=C(\C)C(=O)C[C@H]1C2=COC(/C=C/[C@@H](C)[C@@H](C)O)=CC2=C(Cl)C(=O)[C@@]1(C)O ZINC000072172064 HH Annotated Mild NC(=O)c1cc(Br)ccc1NC(=O)/C=C/c1ccccc1Br ZINC000072173448 HH Annotated Anodyne COc1cc([C@@H](CC=C(C)C)OC(=O)CC(C)(C)O)c(OC)c2c1C(=O)C=CC2=O ZINC000072175551 HH Annotated Mild CCSc1cc(=O)c2cc(F)c(N3C[C@@H]4CCCN[C@@H]4C3)c(OC)c2n1C1CC1 ZINC000072175897 HH Annotated Anodyne O=C(CSc1nc(CN2CCCc3ccccc32)cc(=O)[nH]1)c1ccc(F)cc1 ZINC000072176296 HH Annotated Anodyne CN(C)C(=O)CCc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000072176324 HH Annotated Mild N#Cc1ccc(C(=O)CSc2nc(CN3CCCc4ccccc43)cc(=O)[nH]2)cc1 ZINC000072176373 HH Annotated Mild COc1ccc(C(=O)CSc2nc(CN3CCCc4ccccc43)cc(=O)[nH]2)cc1 ZINC000072176374 HH Annotated Anodyne O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1cccc2c1OCO2)c1ccccc1 ZINC000072177136 HH Annotated Anodyne O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000072177137 HH Annotated Bother O=[N+]([O-])c1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)o1 ZINC000072177396 HH Annotated Bother COc1cc([C@@H](CC=C(C)C)OC(=O)[C@@H]2CCCO2)c(OC)c2c1C(=O)C=CC2=O ZINC000072177737 HH Annotated Mild COc1cc([C@@H](CC=C(C)C)OC(=O)[C@H]2CCCO2)c(OC)c2c1C(=O)C=CC2=O ZINC000072177738 HH Annotated Mild COc1cc([C@@H](CC=C(C)C)OC(=O)[C@@H]2CCOC2)c(OC)c2c1C(=O)C=CC2=O ZINC000072177748 HH Annotated Mild COc1cc([C@@H](CC=C(C)C)OC(=O)[C@H]2CCOC2)c(OC)c2c1C(=O)C=CC2=O ZINC000072177749 HH Annotated Mild C[C@@]1([C@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(F)cc2)C1=O ZINC000072177807 HH Annotated Anodyne C[C@]1([C@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(F)cc2)C1=O ZINC000072177808 HH Annotated Anodyne C[C@@]1([C@@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(F)cc2)C1=O ZINC000072177809 HH Annotated Anodyne C[C@]1([C@@H](O)c2ccc(Br)cc2)OC(=S)N(c2ccc(F)cc2)C1=O ZINC000072177810 HH Annotated Anodyne CCC[C@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000072178045 HH Annotated Bother CCC[C@@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000072178046 HH Annotated Bother CSc1nn(-c2ccccc2)c2cc(N3CCN(C4CCNCC4)CC3)ccc12 ZINC000072179010 HH Annotated Anodyne CCc1ccc(/C=N/n2c(S)nnc2-c2cn(CC)c3nc(C)ccc3c2=O)cc1 ZINC000072179618 HH Annotated Mild CC(C)[C@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)cc1 ZINC000072179743 HH Annotated Reactive CC(C)[C@@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(O)cc1 ZINC000072179744 HH Annotated Reactive CCCC[C@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000072180146 HH Annotated Bother CCCC[C@@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000072180147 HH Annotated Bother CCn1cc(-c2nnc(S)n2/N=C/c2ccc(Cl)cc2)c(=O)c2ccc(C)nc21 ZINC000072180160 HH Annotated Mild C[C@H](C(=O)N/N=C1\C(=O)Nc2cccc(-c3cccc(F)c3)c21)c1ccc(O)cc1 ZINC000072180262 HH Annotated Reactive C[C@@H](C(=O)N/N=C1\C(=O)Nc2cccc(-c3cccc(F)c3)c21)c1ccc(O)cc1 ZINC000072180263 HH Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(CC)c3c2)c1F ZINC000072180375 HH Annotated Anodyne CC[C@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(OC)cc1 ZINC000072180492 HH Annotated Reactive CC[C@@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(OC)cc1 ZINC000072180493 HH Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(C)c3c2)c1F ZINC000072180603 HH Annotated Anodyne O=C1Cc2cc(C(=O)N[C@@H](c3ccc(Cl)c(Cl)c3)C3CCNCC3)ccc2N1 ZINC000072180731 HH Annotated Anodyne O=C1Cc2cc(C(=O)N[C@H](c3ccc(Cl)c(Cl)c3)C3CCNCC3)ccc2N1 ZINC000072180732 HH Annotated Anodyne O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000072180733 HH Annotated Anodyne O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000072180734 HH Annotated Anodyne CC(C)N(CCN)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181218 HH Annotated Anodyne CC(C)N(CCN)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181219 HH Annotated Anodyne Cc1oc(-c2ccccc2S(C)(=O)=O)cc1C(=O)Nc1nc2c(s1)CCC2 ZINC000072181364 HH Annotated Anodyne O[C@H](CNCCNC1CC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181371 HH Annotated Anodyne O[C@@H](CNCCNC1CC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181372 HH Annotated Anodyne CCCC[C@H](O)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072181405 HH Annotated Mild CCCC[C@@H](O)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072181406 HH Annotated Mild CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F ZINC000072181509 HH Annotated Anodyne CC(C)NCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181604 HH Annotated Anodyne CC(C)NCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181605 HH Annotated Anodyne COc1ccc(Oc2ncccc2/C(=N/O)N2CCN(c3ccccc3)CC2)cc1 ZINC000072181963 HH Annotated Mild O[C@H](CNC[C@@H]1CCNC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182054 HH Annotated Anodyne O[C@@H](CNC[C@@H]1CCNC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182055 HH Annotated Anodyne O[C@H](CNC[C@H]1CCNC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182056 HH Annotated Anodyne O[C@@H](CNC[C@H]1CCNC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072182057 HH Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F ZINC000072182083 HH Annotated Anodyne Cc1ccc(CN/C(=N\O)c2cccnc2Oc2cccc(N3CCOCC3)c2)o1 ZINC000072182384 HH Annotated Mild CCC[C@](C)(O)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072182398 HH Annotated Mild CCC[C@@](C)(O)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072182399 HH Annotated Mild CCC(O)(CC)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072182400 HH Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCCN(C)CC2)cc1C ZINC000072182521 HH Annotated Mild CCOc1ccc(OC[C@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000072182640 HH Annotated Anodyne CCOc1ccc(OC[C@@H](O)CN(C)Cc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000072182641 HH Annotated Anodyne Fc1ccc(-c2cc3nc(-c4ccccc4)cc(NCCN4CCOCC4)n3n2)cc1 ZINC000072182857 HH Annotated Anodyne COc1ccc(Oc2cc(/C(=N/O)N3CCN(c4ccc(F)cc4)CC3)ccn2)cc1 ZINC000072183287 HH Annotated Mild Fc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCN4CCOCC4)n3n2)c1 ZINC000072183595 HH Annotated Anodyne CCOc1ccccc1-c1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC000072183782 HH Annotated Bother Cc1ccc(/C(=N/O)N2CCN(C3CCCC3)CC2)c(OCc2ccccc2F)n1 ZINC000072183786 HH Annotated Mild CCN(CC)C(=O)NC1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072184478 HH Annotated Anodyne CCN(CC)C(=O)NC1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072184479 HH Annotated Anodyne Cc1cc(C)cc(CN/C(=N\O)c2cccnc2Oc2ccc(-n3cncn3)cc2)c1 ZINC000072184585 HH Annotated Mild FC(F)(F)c1ccc([C@@H](c2cncnc2)N2CCN(c3nccs3)CC2)cc1 ZINC000072184681 HH Annotated Anodyne FC(F)(F)c1ccc([C@H](c2cncnc2)N2CCN(c3nccs3)CC2)cc1 ZINC000072184682 HH Annotated Anodyne COC(=O)C1CCN(/C(=N\O)c2cccnc2Oc2ccc3c(c2)CCCC3)CC1 ZINC000072185184 HH Annotated Mild C=CCN1CCN(/C(=N\O)c2cccnc2Oc2cccc3c2OC(C)(C)C3)CC1 ZINC000072185230 HH Annotated Mild O/N=C(/c1cccnc1OCc1cccc(F)c1)N1CCN(c2ccccc2)CC1 ZINC000072185360 HH Annotated Mild O/N=C(/c1cccnc1OCc1ccccc1F)N1CCN(c2ccc(F)cc2)CC1 ZINC000072185451 HH Annotated Mild O/N=C(/c1cccnc1OCc1ccccc1F)N1CCN(c2ccccc2)CC1 ZINC000072185824 HH Annotated Mild O=C(N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1)C(F)(F)F ZINC000072186084 HH Annotated Anodyne O=C(N1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1)C(F)(F)F ZINC000072186085 HH Annotated Anodyne Cc1cc(C(=O)N2CCN([C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)no1 ZINC000072186088 HH Annotated Anodyne Cc1cc(C(=O)N2CCN([C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)no1 ZINC000072186089 HH Annotated Anodyne c1ccc(-c2nc([C@H](NCCCn3ccnc3)C3CC3)oc2N2CCOCC2)cc1 ZINC000072186095 HH Annotated Anodyne c1ccc(-c2nc([C@@H](NCCCn3ccnc3)C3CC3)oc2N2CCOCC2)cc1 ZINC000072186096 HH Annotated Anodyne O/N=C(\N[C@H]1CCc2ccccc21)c1cccnc1Oc1ccc(-n2cncn2)cc1 ZINC000072186218 HH Annotated Mild O/N=C(\N[C@@H]1CCc2ccccc21)c1cccnc1Oc1ccc(-n2cncn2)cc1 ZINC000072186219 HH Annotated Mild CCN(CC)Cc1ccc2cc([C@H](OC(N)=O)c3ccc(C(=O)NO)cc3)ccc2c1 ZINC000072190127 HH Annotated Anodyne investigational CCN(CC)Cc1ccc2cc([C@@H](OC(N)=O)c3ccc(C(=O)NO)cc3)ccc2c1 ZINC000072190128 HH Annotated Anodyne investigational C[C@@H](CC#N)N(C)CC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000072266878 HH Annotated Mild in-man C[C@H](CC#N)N(C)CC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000072266879 HH Annotated Mild in-man C[C@@H](C#N)NC(=O)Cc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1 ZINC000072315516 HH Annotated Mild C[C@H](C#N)NC(=O)Cc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1 ZINC000072315517 HH Annotated Mild Cc1ncccc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2ccncn2)CC1 ZINC000072315847 HH Annotated Anodyne CCn1cc(Br)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21 ZINC000072316115 HH Annotated Anodyne O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccc(O)cc3)cc2-c2ccoc2)cc1 ZINC000072316578 HH Annotated Anodyne O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3ccoc3)cc2-c2ccc(O)cc2)cc1 ZINC000072316581 HH Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cnc(C(F)(F)F)nc3C2)CS[C@@H]1c1cc(F)ccc1F ZINC000072317938 HH Annotated Anodyne COc1cc(C(F)(F)F)cc(C2CC2)c1C(=O)N[C@@H]1COCC[C@H]1N1CCCC1 ZINC000072318441 HH Annotated Anodyne CC1(C)CCN(C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccccc3)c21 ZINC000072318522 HH Annotated Anodyne CCN(CC)c1ccc(NC(=O)c2cnc3cc(C(=O)N(C)C)n(C)c3c2)c(C)c1 ZINC000072322777 HH Annotated Anodyne Cc1cc(Br)ccc1NC(=O)c1cnc2cc(C(=O)N(C)C)n(C)c2c1 ZINC000072323440 HH Annotated Anodyne Cc1cc(NC(=O)c2cnc3cc(C(=O)N(C)C)n(C)c3c2)ccc1Br ZINC000072323442 HH Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)Nc1nc2c(C)cccc2s1 ZINC000072323593 HH Annotated Mild COc1ccccc1CCNC(=O)c1cnc2c(c1)c(C#N)cn2Cc1ccccc1 ZINC000072323768 HH Annotated Mild N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)Nc3ccc4c(c3)OCCO4)cc12 ZINC000072323796 HH Annotated Mild C=C[C@H](Cc1cn(S(=O)(=O)c2c(C)cc(C)cc2C)cn1)NC(=O)OC(C)(C)C ZINC000072482041 HH Annotated Mild C=C[C@@H](Cc1cn(S(=O)(=O)c2c(C)cc(C)cc2C)cn1)NC(=O)OC(C)(C)C ZINC000072482042 HH Annotated Mild COc1ccc(OC)c(-c2ccccc2/C=N\NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000072940717 HH Annotated Mild C=CC[C@H]1C=C[C@@H](O/N=C(/C)CCN2CCCCc3nc(C)c(C)cc32)[C@@H](CO)O1 ZINC000073096139 HH Annotated Mild COc1ccc2c(c1)CO[C@H]([C@H](O)CO)[C@@H]2/C=C\C#Cc1ccc(C(C)(C)C)cc1 ZINC000073096207 HH Annotated Anodyne COc1ccc2c(c1)CO[C@H]([C@H](O)CO)[C@H]2/C=C\C#Cc1ccc(C(C)(C)C)cc1 ZINC000073096211 HH Annotated Anodyne O=C(O)c1cccc(-c2ccc(/C=C3\NC(=O)N(CCc4ccccc4)C3=O)[nH]2)c1 ZINC000073139144 HH Annotated Clean O=C(O)c1cccc(-c2ccc(/C=C3\CC(=O)N(CCc4ccccc4)C3=O)[nH]2)c1 ZINC000073139151 HH Annotated Anodyne Clc1cc(-c2nc3sc(Cl)cn3c2/C=N/NC2=NCCN2)c(Cl)s1 ZINC000073139297 HH Annotated Mild CCc1ccc(NC(=O)NNC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)cc1 ZINC000073141316 HH Annotated Reactive CCOc1cc(/C(=C\C#N)c2ccc(OC)c(OC(=O)[C@@H](N)C(C)C)c2)ccc1OC ZINC000073142040 HH Annotated Reactive N#Cc1cc(Cl)cc(Oc2cc(Cl)ccc2OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073156469 HH Annotated Mild N#Cc1ccc(Cl)c(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073156474 HH Annotated Mild N#Cc1cc(Cl)cc(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073156482 HH Annotated Mild Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(C(=O)O)cc2c1=O ZINC000073157793 HH Annotated Anodyne N#Cc1ccc(Oc2cc(Cl)ccc2Cl)c(OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073157926 HH Annotated Mild N#Cc1ccc(Oc2cc(Cl)cc(Cl)c2)c(OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073157929 HH Annotated Mild O=C(O/N=C/c1cc2ccccc2nc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000073158705 HH Annotated Mild Cc1ccccc1S(=O)(=O)Nc1cc(O)nc(SCc2ccc(Cl)cc2)n1 ZINC000073158858 HH Annotated Anodyne CC(=O)C[C@]1(O)c2ccc(Br)cc2-[n+]2ccc3c([nH]c4ccccc43)c21 ZINC000073160202 HH Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4sc(C)nc4c32)cc(OC)c1OC ZINC000073161052 HH Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4sc(C)nc4c32)cc(OC)c1OC ZINC000073161054 HH Annotated Anodyne O=S(=O)(N[C@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000073162788 HH Annotated Anodyne O=S(=O)(N[C@@H](c1ccc(F)cc1)c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000073162791 HH Annotated Anodyne CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2cc(C(=O)O)n(O)c2c1 ZINC000073163435 HH Annotated Anodyne CCCCN(C)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccccc1 ZINC000073163794 HH Annotated Anodyne N#Cc1cccc(Cl)c1Oc1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O ZINC000073167751 HH Annotated Mild CCn1nnnc1/N=C(\O)N1CCC2(CC1)CC(c1cccc(OC(F)(F)F)c1)C2 ZINC000073168938 HH Annotated Mild O=C(Nc1ccc(N2CCOCC2)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F ZINC000073169266 HH Annotated Anodyne Cc1ccc(/C=N/C(=O)Nc2ccc3c(c2)C(=O)C(=O)N3CN2CCCCC2)cc1 ZINC000073169839 HH Annotated Mild O=C(/N=C/c1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCCCC1 ZINC000073170126 HH Annotated Mild O=C(/N=C/c1ccccc1Cl)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCCCC1 ZINC000073170128 HH Annotated Mild COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@]1(c1ccccc1)C(F)(F)F ZINC000073170133 HH Annotated Anodyne COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@]1(c1ccccc1)C(F)(F)F ZINC000073170134 HH Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@]1(c1ccccc1)C(F)(F)F ZINC000073170135 HH Annotated Anodyne COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@]1(c1ccccc1)C(F)(F)F ZINC000073170136 HH Annotated Anodyne O=C(NC1CC1)c1cnn2c1N(C(=O)Nc1cccc(F)c1)[C@H](c1ccccc1)C2 ZINC000073197184 HH Annotated Anodyne O=C(NC1CC1)c1cnn2c1N(C(=O)Nc1cccc(F)c1)[C@@H](c1ccccc1)C2 ZINC000073197185 HH Annotated Anodyne O=C(CCl)Nc1ccc2c(c1NC(=O)c1cccs1)C(=O)c1ccccc1C2=O ZINC000073197269 HH Annotated Reactive O=C(O)Cn1c2c(c3c(F)cc(F)cc31)CCN(CCc1ccccc1)C2=S ZINC000073197725 HH Annotated Anodyne Cn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)c2ccccc21 ZINC000073198257 HH Annotated Anodyne Cn1cc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)c2ccccc21 ZINC000073198258 HH Annotated Anodyne O=C(c1cc([N+](=O)[O-])ccn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000073199346 HH Annotated Bother C[C@@H]1CC[C@H](N2CC[C@]3(CN(C(=O)c4cc5ccccc5[nH]4)c4ccccc43)C2)CN1 ZINC000073219248 HH Annotated Anodyne C[C@@H]1CC[C@@H](N2CC[C@]3(CN(C(=O)c4cc5ccccc5[nH]4)c4ccccc43)C2)CN1 ZINC000073219251 HH Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1)N1CC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C1 ZINC000073220014 HH Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1)N1CC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C1 ZINC000073220016 HH Annotated Anodyne COc1ccc([C@H](NC(=O)COc2cccc(C)c2C)P(=O)(OC)OC)cc1 ZINC000073220178 HH Annotated Anodyne COc1ccc([C@@H](NC(=O)COc2cccc(C)c2C)P(=O)(OC)OC)cc1 ZINC000073220181 HH Annotated Anodyne Cc1c(NCc2nnc(Nc3ccccc3Cl)o2)c(=O)n(-c2ccccc2)n1C ZINC000073220999 HH Annotated Anodyne O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)[C@]1(CCCOC1)NCC3 ZINC000073221477 HH Annotated Anodyne O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)[C@@]1(CCCOC1)NCC3 ZINC000073221479 HH Annotated Anodyne CCOc1ccc(Nc2nnc(CNc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1 ZINC000073222382 HH Annotated Anodyne Cc1ccc(Nc2nnc(CNc3c(C)n(C)n(-c4ccccc4)c3=O)o2)c(C)c1 ZINC000073222384 HH Annotated Anodyne O=S(=O)(c1cccc(F)c1)c1ccc2c3c(oc2c1)C1(CCOCC1)NCC3 ZINC000073222760 HH Annotated Anodyne Cc1cccc(C)c1Nc1nnc(CNc2c(C)n(C)n(-c3ccccc3)c2=O)o1 ZINC000073222920 HH Annotated Anodyne CC[C@H](CO)N(CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C ZINC000073223772 HH Annotated Anodyne O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@]2(CCN([C@@H]3CCCNC3)C2)c2ccccc21 ZINC000073224359 HH Annotated Anodyne O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@]2(CCN([C@H]3CCCNC3)C2)c2ccccc21 ZINC000073224360 HH Annotated Anodyne O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CCN([C@@H]3CCCNC3)C2)c2ccccc21 ZINC000073224416 HH Annotated Anodyne O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CCN([C@H]3CCCNC3)C2)c2ccccc21 ZINC000073224417 HH Annotated Anodyne C[C@@H]1CC[C@H](N2CC[C@@]3(CN(C(=O)c4cc5ccccc5[nH]4)c4ccccc43)C2)CN1 ZINC000073224496 HH Annotated Anodyne C[C@@H]1CC[C@@H](N2CC[C@@]3(CN(C(=O)c4cc5ccccc5[nH]4)c4ccccc43)C2)CN1 ZINC000073224497 HH Annotated Anodyne O=C(c1cc2c(Cl)cccc2[nH]1)N1C[C@]2(CCN([C@@H]3CCNC3)C2)c2ccccc21 ZINC000073224771 HH Annotated Anodyne O=C(c1cc2c(Cl)cccc2[nH]1)N1C[C@]2(CCN([C@H]3CCNC3)C2)c2ccccc21 ZINC000073224772 HH Annotated Anodyne C=CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccc(OC)cc2)OC1 ZINC000073225011 HH Annotated Anodyne C=CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccc(OC)cc2)OC1 ZINC000073225012 HH Annotated Anodyne CCc1c(C)[nH]c2cc(OCCCOC(=O)[C@@H](CC)C(C)=O)c(Cl)cc2c1=O ZINC000073225016 HH Annotated Anodyne CCc1c(C)[nH]c2cc(OCCCOC(=O)[C@H](CC)C(C)=O)c(Cl)cc2c1=O ZINC000073225017 HH Annotated Anodyne O=C(c1cc2c(Cl)cccc2[nH]1)N1C[C@@]2(CCN([C@@H]3CCNC3)C2)c2ccccc21 ZINC000073240325 HH Annotated Anodyne O=C(c1cc2c(Cl)cccc2[nH]1)N1C[C@@]2(CCN([C@H]3CCNC3)C2)c2ccccc21 ZINC000073240326 HH Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccccc2C(=O)/C=C/c2ccc[nH]2)cc1 ZINC000073240690 HH Annotated Mild COc1nc2cc(F)ccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1 ZINC000073240841 HH Annotated Anodyne COc1nc2c(C)cccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1 ZINC000073240843 HH Annotated Anodyne COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3-n3cccn3)c2=O)cc1 ZINC000073242953 HH Annotated Anodyne FC(F)(F)Oc1cccc(-n2nnc3ccc(NC4CC5(CCNCC5)C4)nc32)c1 ZINC000073258502 HH Annotated Anodyne CCOP(=O)(OCC)[C@H](NNC(=O)c1nn(C)c2ccccc12)c1ccccc1 ZINC000073258571 HH Annotated Reactive CCOP(=O)(OCC)[C@@H](NNC(=O)c1nn(C)c2ccccc12)c1ccccc1 ZINC000073258572 HH Annotated Reactive O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4cccc(Cl)c4)nn3)s2)o1 ZINC000073259041 HH Annotated Bother FC(F)(F)c1cccc(-n2nnc3ccc(NC4CC5(CCNCC5)C4)nc32)c1 ZINC000073276527 HH Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4ccccc4Cl)nn3)s2)o1 ZINC000073278919 HH Annotated Bother Cc1onc(C(=O)N2CCCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000073280241 HH Annotated Bother O=C(NCCCn1cnc(Cl)c1Cl)c1ccc(O)c2[nH]c(-c3ccco3)nc12 ZINC000073297566 HH Annotated Anodyne C[C@@](O)(CS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000073310770 HH Annotated Anodyne C[C@](O)(CS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000073310771 HH Annotated Anodyne O=c1c2cc(Br)ccc2nc(CCl)n1-c1ccc(O)c([N+](=O)[O-])c1 ZINC000073311647 HH Annotated Reactive c1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n2nccc2c1 ZINC000073311976 HH Annotated Anodyne O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(O)c2[nH]c(Cc3ccccc3)nc12 ZINC000073314458 HH Annotated Bother C=C(C(=O)OCCCCCN1CCN(C)CC1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073315619 HH Annotated Mild CN1CC=C(O[P@](=O)(NCc2ccccc2)N(CCCl)CCCl)CC1 ZINC000073333579 HH Annotated Reactive O=[N+]([O-])c1cccc(S(=O)(=O)O[C@@H](CNCc2ccccc2)c2ccccc2)c1 ZINC000073366693 HH Annotated Mild O=[N+]([O-])c1cccc(S(=O)(=O)O[C@H](CNCc2ccccc2)c2ccccc2)c1 ZINC000073366696 HH Annotated Mild C1=CC=C2NCCSCC/N=C3\C=CC=CC=C3NCCSCC/N=C/2C=C1 ZINC000073370802 HH Annotated Clean CC1=N/C(=C/c2ccccc2O)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O ZINC000073388147 HH Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@H](n2cc(-c3ccc(F)cc3F)nn2)ON1C ZINC000073389228 HH Annotated Anodyne CCCCCCNC(=O)c1c(N)n(/N=C\c2ccco2)c2nc3ccccc3nc12 ZINC000007991536 HH Annotated Mild CCCn1c(-c2ccc(F)cc2)nc2c(NCCN3CCSCC3)nc(C)nc21 ZINC000007991782 HH Annotated Anodyne CCN(CC)CCC[C@@H](C)n1c(-c2ccccc2)nc2c(NCCO)nc(C)nc21 ZINC000007991806 HH Annotated Anodyne CCN(CC)CCC[C@H](C)n1c(-c2ccccc2)nc2c(NCCO)nc(C)nc21 ZINC000007991807 HH Annotated Anodyne CCN(CC)CCCCn1c(-c2ccccc2)nc2c(NCCOC)nc(C)nc21 ZINC000007991839 HH Annotated Anodyne CCN(CC)CCCCn1c(-c2ccccc2)nc2c(N3CCOCC3)nc(C)nc21 ZINC000007991840 HH Annotated Anodyne CCCCC#C[C@@H]1C=C[C@H](Oc2ccc(C(=O)OC)cc2)[C@H](COC(=O)OCC)O1 ZINC000007991955 HH Annotated Mild CCCCC#C[C@H]1C=C[C@H](Oc2ccc(C(=O)OC)cc2)[C@H](COC(=O)OCC)O1 ZINC000007991956 HH Annotated Mild CCCCC#C[C@@H]1C=C[C@@H](Oc2ccc(C(=O)OC)cc2)[C@H](COC(=O)OCC)O1 ZINC000007991957 HH Annotated Mild COc1ccc(OC)c(-c2ccccc2/C=N/NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000007992397 HH Annotated Mild CCOC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(C)cc2C)C=C[C@H]1OC(=O)OCC ZINC000007992549 HH Annotated Mild CCOC(=O)OC[C@H]1O[C@@H](C#Cc2ccc(C)cc2C)C=C[C@@H]1OC(=O)OCC ZINC000007992550 HH Annotated Mild CCOC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(C)cc2C)C=C[C@@H]1OC(=O)OCC ZINC000007992551 HH Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=C(C)C)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000007998117 HH Annotated Mild C=CC[C@@H]1C=C[C@H](O/N=C(\C)CCN2CCCCc3nc(C)c(C)cc32)[C@H](CO)O1 ZINC000007998350 HH Annotated Mild C/C(CCN1CCCCc2nc(C)c(C)cc21)=N\OC[C@@H](O)COCc1ccco1 ZINC000007998354 HH Annotated Mild COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\O[C@@H](C)CN1CCCc2nc(C)c(C)cc21)OC ZINC000007998420 HH Annotated Mild O=C1O[C@@H](CO)CN1c1cc(F)c(C2=CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000078273399 HH Annotated Anodyne N#CCCN(CC(=O)Nc1ccc(Br)cc1Cl)Cc1cccnc1 ZINC000078995819 HH Annotated Mild CNC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008018794 HH Annotated Reactive CCCCCCCC#Cc1ccccc1[C@H](NC(=O)OC)C(C(=O)OC)C(=O)OC ZINC000008019490 HH Annotated Mild CCCCCCCC#Cc1ccccc1[C@@H](NC(=O)OC)C(C(=O)OC)C(=O)OC ZINC000008019493 HH Annotated Mild COc1ccc(/C(O)=N/c2sc3c(c2C(N)=O)CC[C@@H](C)C3)c(OC)c1OC ZINC000008073629 HH Annotated Mild COc1ccc(/C(O)=N/c2sc3c(c2C(N)=O)CC[C@H](C)C3)c(OC)c1OC ZINC000008073632 HH Annotated Mild CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cc(C)ccc2C)[C@@H]1c1cccnc1 ZINC000008462741 HH Annotated Mild CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cc(C)ccc2C)[C@H]1c1cccnc1 ZINC000008462764 HH Annotated Mild CC1=C2[C@H]3OC(=O)[C@@H](CNCCc4c[nH]c5ccccc45)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000082051178 HH Annotated Mild CC1=C2[C@H]3OC(=O)[C@H](CNCCc4c[nH]c5ccccc45)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000082051179 HH Annotated Mild C[C@H]([C@H](O)c1ccccc1)N(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 ZINC000082051421 HH Annotated Anodyne C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12 ZINC000082051526 HH Annotated Anodyne C[C@@H]([C@@H](O)c1ccccc1)N(C)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21 ZINC000082051528 HH Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(O)cc5)CC4)[C@H]3C[C@@H]12 ZINC000082051553 HH Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(O)cc5)CC4)[C@H]3C[C@H]12 ZINC000082051555 HH Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(O)cc5)CC4)[C@H]3C[C@@H]12 ZINC000082051557 HH Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(O)cc5)CC4)[C@H]3C[C@H]12 ZINC000082051559 HH Annotated Mild C/C1=C\CC(=O)[C@H](C)C[C@@H]2OC(=O)[C@@H](CN3CCN(c4ccccc4)CC3)[C@@H]2CC1 ZINC000082052137 HH Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](CN4CCc5[nH]c6ccccc6c5C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000082052960 HH Annotated Mild CC1=C2[C@H]3OC(=O)[C@H](CN4CCc5[nH]c6ccccc6c5C4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000082052962 HH Annotated Mild CCOC(=O)[C@@](O)(c1c[nH]c2ccccc12)C(F)(F)P(=O)(OCC)OCC ZINC000082053189 HH Annotated Anodyne CCOC(=O)[C@](O)(c1c[nH]c2ccccc12)C(F)(F)P(=O)(OCC)OCC ZINC000082053191 HH Annotated Anodyne CCOP(=O)(OCC)[C@@]1(C(F)(F)F)N=C2C=CC(Cl)=CN2C(N)=C1C#N ZINC000082053310 HH Annotated Reactive CCOP(=O)(OCC)[C@]1(C(F)(F)F)N=C2C=CC(Cl)=CN2C(N)=C1C#N ZINC000082053312 HH Annotated Reactive CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 ZINC000082059433 HH Annotated Anodyne Cc1c(C)c2ccc(O[C@@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(C)c2oc1=O ZINC000082059573 HH Annotated Anodyne C=CCN(C)c1nc(NCc2ccccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066366 HH Annotated Mild CCCN(CC1CC1)c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066502 HH Annotated Anodyne CCCN(CC1CC1)c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066503 HH Annotated Anodyne C=C(C)CN(CC)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 ZINC000082066516 HH Annotated Mild CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CCO)Cc2ccccc2)n1 ZINC000082066545 HH Annotated Anodyne CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CCO)Cc2ccccc2)n1 ZINC000082066546 HH Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066557 HH Annotated Anodyne CCCN(CC1CC1)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 ZINC000082066562 HH Annotated Anodyne CCCN(CC1CC1)c1nc(NCCCCCO)nc(Oc2ccc(OC)cc2)n1 ZINC000082066571 HH Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N(C)CCO)n2)cc1 ZINC000082066578 HH Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N(C)CCO)n2)cc1 ZINC000082066579 HH Annotated Anodyne C=C(C)CN(CC)c1nc(NCCCCCO)nc(Oc2ccc(OC)cc2)n1 ZINC000082066616 HH Annotated Mild COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066678 HH Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066679 HH Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CCCO3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066680 HH Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CC#N)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066746 HH Annotated Mild COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066747 HH Annotated Mild COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066776 HH Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066777 HH Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066779 HH Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066794 HH Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066797 HH Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066798 HH Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 ZINC000082066846 HH Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 ZINC000082066847 HH Annotated Anodyne CCCCN(CC)c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066948 HH Annotated Anodyne CCCCN(CC)c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066949 HH Annotated Anodyne CCCCN(CC)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067016 HH Annotated Anodyne CCCCN(CC)c1nc(NCCCCCO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067026 HH Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067212 HH Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067224 HH Annotated Anodyne O=C(c1ccccc1)c1ccc(Oc2cc(NCCCN3CCCC3=O)ncn2)cc1 ZINC000082067558 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cc(Oc3cccc4cccnc34)ncn2)CC1 ZINC000082068311 HH Annotated Anodyne COc1ccc(OC)c(CCNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)c1 ZINC000082068460 HH Annotated Anodyne COc1cc(CCNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)cc(OC)c1 ZINC000082068469 HH Annotated Anodyne OCCOCCNc1cncc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082068479 HH Annotated Anodyne COc1cccc(CCNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)c1OC ZINC000082068585 HH Annotated Anodyne CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)C1 ZINC000082068778 HH Annotated Anodyne CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)C1 ZINC000082068779 HH Annotated Anodyne CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)C1 ZINC000082068780 HH Annotated Anodyne CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)C1 ZINC000082068781 HH Annotated Anodyne O=C(OCCc1ccccn1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000082069572 HH Annotated Anodyne O=C(OCCc1ccccn1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 ZINC000082069573 HH Annotated Anodyne CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc(C)cc3)n2)C1 ZINC000082069618 HH Annotated Anodyne CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc(C)cc3)n2)C1 ZINC000082069619 HH Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCCc4ccccn4)C3)co2)cc1 ZINC000082069620 HH Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCCc4ccccn4)C3)co2)cc1 ZINC000082069621 HH Annotated Anodyne CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 ZINC000082069642 HH Annotated Anodyne CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 ZINC000082069643 HH Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCc3ccccn3)C2)co1 ZINC000082069644 HH Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCc3ccccn3)C2)co1 ZINC000082069645 HH Annotated Anodyne CCCCOCCCNC(=O)c1ccc(CNC(=O)c2csc(CC)n2)cc1 ZINC000082069753 HH Annotated Anodyne CCCCOCCCNC(=O)[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(C)C ZINC000082069998 HH Annotated Anodyne CCCCOCCCNC(=O)[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(C)C ZINC000082069999 HH Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(N)=O ZINC000082070198 HH Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(N)=O ZINC000082070200 HH Annotated Anodyne CCCCOCCOC(=O)[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(C)C ZINC000082070314 HH Annotated Anodyne CCCCOCCOC(=O)[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(C)C ZINC000082070315 HH Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)OCCc3ccccn3)C(C)C)co2)cc1 ZINC000082070316 HH Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OCCc3ccccn3)C(C)C)co2)cc1 ZINC000082070317 HH Annotated Anodyne CCCCOCCOC(=O)[C@H](NC(=O)c1coc(-c2ccccc2C)n1)C(C)C ZINC000082070340 HH Annotated Anodyne CCCCOCCOC(=O)[C@@H](NC(=O)c1coc(-c2ccccc2C)n1)C(C)C ZINC000082070341 HH Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCc2ccccn2)C(C)C)co1 ZINC000082070342 HH Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCc2ccccn2)C(C)C)co1 ZINC000082070343 HH Annotated Anodyne CCC#CCOC(=O)[C@H](NC(=O)c1csc(-c2ccccc2OCC)n1)C(C)C ZINC000082070397 HH Annotated Mild CCC#CCOC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2OCC)n1)C(C)C ZINC000082070398 HH Annotated Mild COC(=O)[C@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082070895 HH Annotated Anodyne COC(=O)[C@@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082070896 HH Annotated Anodyne CCCCOCCOC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082070926 HH Annotated Anodyne CCCCOCCOC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082070927 HH Annotated Anodyne COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071789 HH Annotated Anodyne COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071792 HH Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(CC)n1 ZINC000082071821 HH Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(CC)n1 ZINC000082071823 HH Annotated Mild CCOc1ccccc1-c1nc(C(=O)NCC(=O)NCCC2=CCCCC2)cs1 ZINC000082072033 HH Annotated Anodyne O=C(c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CCC[C@@H]1CO ZINC000082072909 HH Annotated Anodyne O=C(c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CCC[C@H]1CO ZINC000082072911 HH Annotated Anodyne CCC#CCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082073600 HH Annotated Mild CCC#CCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082073602 HH Annotated Mild COC(=O)CN(C)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074090 HH Annotated Anodyne CCCCOCCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082074123 HH Annotated Anodyne O=C(c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)N1CCCNCC1 ZINC000082074943 HH Annotated Anodyne COc1cc(/C(O)=N/c2ccc3nc(Cc4ccccc4)nn3c2)cc(OC)c1OC ZINC000082078108 HH Annotated Mild COc1cc(-c2cc3c(cn2)nc(NCc2ccccc2)n3C)cc(OC)c1OC ZINC000082078356 HH Annotated Anodyne O[C@H](c1nnc(Nc2cccc(Cl)c2)s1)c1ccccc1CN1CCOCC1 ZINC000082078459 HH Annotated Anodyne O[C@@H](c1nnc(Nc2cccc(Cl)c2)s1)c1ccccc1CN1CCOCC1 ZINC000082078462 HH Annotated Anodyne CNc1nc2cnc(-c3cc(OC)c(OC)c(OC)c3)cc2n1Cc1ccccc1 ZINC000082078583 HH Annotated Anodyne COc1cc(Nc2cc3c(cn2)nc(NCc2ccccc2)n3C)cc(OC)c1OC ZINC000082078700 HH Annotated Anodyne COc1cc([C@H](O)c2nc(/C(O)=N/Cc3ccccc3)cs2)cc(OC)c1OC ZINC000082078819 HH Annotated Mild COc1cc([C@@H](O)c2nc(/C(O)=N/Cc3ccccc3)cs2)cc(OC)c1OC ZINC000082078822 HH Annotated Mild COc1ccc(-c2n[nH]c3ccnc(-c4cccc(/C(O)=N/CCO)c4)c23)c(C)c1 ZINC000082079040 HH Annotated Mild COc1ccc(-c2nnc3ccc(-c4cccc(C(=O)N(C)C)c4)cn23)cc1OC ZINC000082079060 HH Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081245 HH Annotated Anodyne CCCCOCCCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081246 HH Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081255 HH Annotated Anodyne O=C(NCC1CCCCC1)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081256 HH Annotated Anodyne CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081582 HH Annotated Anodyne CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081583 HH Annotated Anodyne O=C(NCc1ccco1)c1ccc(CNC(=O)c2coc(-c3cccs3)n2)cc1 ZINC000082081714 HH Annotated Anodyne NCCOC(=O)c1ccc(CNC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000082081798 HH Annotated Anodyne NCCOC(=O)c1ccc(CNC(=O)c2coc(-c3ccc4ccccc4c3)n2)cc1 ZINC000082081866 HH Annotated Anodyne O=S(=O)(Nc1ccc2nc(-c3cccc(C(F)(F)F)c3)nn2c1)c1ccco1 ZINC000082081940 HH Annotated Anodyne CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1-c1ccccc1 ZINC000082081957 HH Annotated Anodyne CNc1nc2cnc(Nc3cccc(C)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082081965 HH Annotated Anodyne COc1cc(Nc2cc3c(cn2)nc(Nc2ccccc2)n3C)cc(OC)c1OC ZINC000082082036 HH Annotated Anodyne CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1-c1cccc(F)c1 ZINC000082082098 HH Annotated Anodyne CNc1nc2cnc(Nc3ccccc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082082102 HH Annotated Anodyne COCC/N=C(\O)c1cccc(-c2nc3c(Nc4cccc(OC)c4)nccc3[nH]2)c1 ZINC000082082225 HH Annotated Mild COCC/N=C(\O)c1cccc(-c2nc3c(Nc4ccc(OC)cc4)nccc3[nH]2)c1 ZINC000082082344 HH Annotated Mild COCC/N=C(\O)c1cccc(-c2nc3c(Nc4cccc(F)c4)nccc3[nH]2)c1 ZINC000082082395 HH Annotated Mild C/C(O)=N\c1ccc(-c2nnc3ccc(-c4cccc(/C(O)=N/CCO)c4)cn23)cc1 ZINC000082082701 HH Annotated Mild CC(=O)c1cccc(-c2cnc3ccc(-c4cccc(/C(O)=N/CCO)c4)nn23)c1 ZINC000082082728 HH Annotated Mild CC(=O)Nc1cc(-c2cccc(/C(O)=N/CCO)c2)cn2c(-c3ccccc3)cnc12 ZINC000082082735 HH Annotated Mild CN(C)CC/N=C(\O)c1cccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)c1 ZINC000082082751 HH Annotated Mild CN(C)CCCOc1ccc(-c2nnc3ccc(-c4ccc(CO)cc4)cn23)cc1 ZINC000082082822 HH Annotated Anodyne Cc1ccccc1-c1nnc2ccc(-c3cccc(C(=O)N4CCN(C)CC4)c3)cn12 ZINC000082082828 HH Annotated Anodyne CN(C)CCCOc1ccc(-c2nnc3ccc(-c4cccc(CO)c4)cn23)cc1 ZINC000082082831 HH Annotated Anodyne C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCC1CCCCC1 ZINC000082082838 HH Annotated Bother C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCC1CCCCC1 ZINC000082082840 HH Annotated Bother COc1cccc(-c2ccc3ncc(-c4cccc(/C(O)=N/CCN(C)C)c4)n3n2)c1 ZINC000082082901 HH Annotated Mild CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082082914 HH Annotated Anodyne CCCCOCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082082916 HH Annotated Anodyne COc1ccc(Cn2cnc3cnc(Nc4ccc5c(c4)OCO5)cc32)cc1OC ZINC000082083006 HH Annotated Anodyne COc1ccc(Nc2cc3c(cn2)nc(NCc2ccc(OC)c(OC)c2)n3C)cc1 ZINC000082083019 HH Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC)nc3)cc2n1Cc1ccc(OC)c(OC)c1 ZINC000082083023 HH Annotated Anodyne C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCC1CCCCC1 ZINC000082083051 HH Annotated Bother C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCC1CCCCC1 ZINC000082083052 HH Annotated Bother C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCc1ccccc1N ZINC000082083064 HH Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCc1ccccc1N ZINC000082083066 HH Annotated Anodyne CNc1nc2cnc(Nc3cccc(OC)c3)cc2n1Cc1ccc(OC)c(OC)c1 ZINC000082083242 HH Annotated Anodyne Cn1c(NC[C@@H]2CCCO2)nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21 ZINC000082083396 HH Annotated Anodyne Cn1c(NC[C@H]2CCCO2)nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21 ZINC000082083401 HH Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](C)NC(=O)c1coc(-c2cccs2)n1 ZINC000082083411 HH Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](C)NC(=O)c1coc(-c2cccs2)n1 ZINC000082083414 HH Annotated Anodyne COc1cc(/N=C(\O)[C@@H](C)N2Cc3ccc(NCC(C)C)nc3C2=O)cc(OC)c1 ZINC000082083431 HH Annotated Mild COc1ccc(NC(=O)[C@@H](C)N2Cc3ccc(-c4ccc(C#N)cc4)nc3C2=O)cc1 ZINC000082083581 HH Annotated Anodyne C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCC1CCCCC1 ZINC000082083767 HH Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCC1CCCCC1 ZINC000082083771 HH Annotated Anodyne CCCCOCCOC(=O)[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082083819 HH Annotated Anodyne CCCCOCCOC(=O)[C@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082083822 HH Annotated Anodyne C[C@H](/N=C(\O)[C@@H](C)N1Cc2ccc(-c3ccnn3C)nc2C1=O)c1ccc(F)cc1 ZINC000082083979 HH Annotated Mild C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCc1ccccn1 ZINC000082084022 HH Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCCc1ccccn1 ZINC000082084023 HH Annotated Anodyne C[C@H](/C(O)=N/[C@@H]1CCCc2ccccc21)N1Cc2ccc(-c3ccnn3C)nc2C1=O ZINC000082084028 HH Annotated Mild O[C@H](c1ccc2c(c1)OCO2)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 ZINC000082084144 HH Annotated Anodyne O[C@@H](c1ccc2c(c1)OCO2)c1nnc(Nc2cccc(OC(F)(F)F)c2)s1 ZINC000082084146 HH Annotated Anodyne COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084696 HH Annotated Anodyne COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084697 HH Annotated Anodyne CCCCOCCCNC(=O)CNC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084773 HH Annotated Anodyne O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)OCCC1CCCCC1 ZINC000082084982 HH Annotated Bother CCCCOCCCNC(=O)CN(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085635 HH Annotated Anodyne CCCCOCCCNC(=O)CN(C)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085673 HH Annotated Anodyne CN(CC(=O)OCCC1CCCCC1)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085789 HH Annotated Anodyne CN(CC(=O)OCCc1ccccn1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085800 HH Annotated Anodyne CCCCOCCOC(=O)CN(C)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085847 HH Annotated Anodyne CN(CC(=O)OCCc1ccccn1)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085848 HH Annotated Anodyne O=C(N[C@H](CO)COCc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085904 HH Annotated Anodyne O=C(N[C@@H](CO)COCc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085905 HH Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082086243 HH Annotated Anodyne CCCN1CCN(C(=O)c2sc3nc(C)nc(N4CCCC[C@@H]4C)c3c2C)CC1 ZINC000082091209 HH Annotated Anodyne CCCN1CCN(C(=O)c2sc3nc(C)nc(N4CCCC[C@H]4C)c3c2C)CC1 ZINC000082091210 HH Annotated Anodyne CCCN1CCN(C(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)CC1 ZINC000082091230 HH Annotated Anodyne COc1cc2nc(NCCCCc3ccccc3)nc(NC[C@H](C)O)c2cc1OC ZINC000082129241 HH Annotated Anodyne COc1cc2nc(NCCCCc3ccccc3)nc(NC[C@@H](C)O)c2cc1OC ZINC000082129243 HH Annotated Anodyne CCNc1nc(NCCc2cccc(OC)c2OC)nc2cc(OC)c(OC)cc12 ZINC000082131458 HH Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082132674 HH Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3)n2)C1 ZINC000082132893 HH Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3)n2)C1 ZINC000082132896 HH Annotated Mild C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3)n2)C1 ZINC000082132898 HH Annotated Mild CC1CCN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3)n2)CC1 ZINC000082132899 HH Annotated Mild C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134583 HH Annotated Bother C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134586 HH Annotated Bother C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134588 HH Annotated Bother C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134589 HH Annotated Bother CCCCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135023 HH Annotated Mild Cc1ccc(CNc2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082135248 HH Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135392 HH Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135393 HH Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135394 HH Annotated Bother CC1CCN(c2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082135667 HH Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135671 HH Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135672 HH Annotated Bother C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135673 HH Annotated Bother CC1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135706 HH Annotated Bother O=C(NCc1ccccc1)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135755 HH Annotated Bother CCN(C)c1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135856 HH Annotated Bother CCN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136091 HH Annotated Bother COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082136364 HH Annotated Anodyne COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082136365 HH Annotated Anodyne COCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082136366 HH Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc(F)cc2)n1 ZINC000082139544 HH Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 ZINC000082139731 HH Annotated Mild CC1CCN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(F)cc3)n2)CC1 ZINC000082139742 HH Annotated Mild CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 ZINC000082142494 HH Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 ZINC000082143034 HH Annotated Anodyne CCN(C)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccco1 ZINC000082143107 HH Annotated Anodyne Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000082145599 HH Annotated Mild Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000082145856 HH Annotated Mild CCCCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148630 HH Annotated Mild Cc1ccc(CNc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082148658 HH Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148957 HH Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148961 HH Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148964 HH Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148991 HH Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148994 HH Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148997 HH Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149119 HH Annotated Mild CC[C@H](C)Nc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149122 HH Annotated Mild COCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149148 HH Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149371 HH Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149373 HH Annotated Bother C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149377 HH Annotated Bother CC1CCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082149715 HH Annotated Bother CC1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149775 HH Annotated Bother CCN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150318 HH Annotated Bother COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F ZINC000082150520 HH Annotated Anodyne COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F ZINC000082150523 HH Annotated Anodyne COCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1F ZINC000082150525 HH Annotated Anodyne O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCc3c(cccc3[N+](=O)[O-])C2)c(C(F)(F)F)c1 ZINC000082151165 HH Annotated Bother CC(C)CN(C)c1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccccc2F)n1 ZINC000082151194 HH Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F ZINC000082151385 HH Annotated Mild CC1CCN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccccc3F)n2)CC1 ZINC000082151501 HH Annotated Mild O=C(CCl)Nc1ccc2c(c1NC(=O)CCCCl)C(=O)c1ccccc1C2=O ZINC000082152131 HH Annotated Reactive Cc1ccc(Oc2ncnc(OC3CCN(C(=O)OC(C)C)CC3)c2C)c(C)n1 ZINC000082152200 HH Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(-c3ccc(F)cc3F)nn2)ON1C ZINC000082153867 HH Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc(C#N)cc2)C1 ZINC000082154849 HH Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc(C#N)cc2)C1 ZINC000082154853 HH Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc(C#N)cc2)C1 ZINC000082154856 HH Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc(C#N)cc2)C1 ZINC000082154858 HH Annotated Mild Cc1ccn(CCc2n[nH]c3ncccc23)c(=O)c1Oc1cc(Cl)cc(C#N)c1 ZINC000082156382 HH Annotated Mild O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4ccc(Cl)cc4)nn3)s2)o1 ZINC000082157119 HH Annotated Bother COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)OC2=S)cc1 ZINC000082157965 HH Annotated Anodyne COc1nc2cc(C)ccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1 ZINC000082158363 HH Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158601 HH Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158602 HH Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158603 HH Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc(C#N)cc2)C1 ZINC000082158604 HH Annotated Mild CCN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(C#N)cc1 ZINC000082158895 HH Annotated Mild COCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000082158944 HH Annotated Mild CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(C#N)cc1 ZINC000082158970 HH Annotated Mild COc1cc(CNc2cc(-c3ccc(C)c([N+](=O)[O-])c3)ncn2)cc(OC)c1OC ZINC000082162180 HH Annotated Bother CCc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163703 HH Annotated Bother Cc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163704 HH Annotated Bother CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc(F)cc2)s1 ZINC000082164491 HH Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)s3)c(-c3ccc(F)cc3)n2)CC1 ZINC000082164494 HH Annotated Anodyne Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)sc1C ZINC000082164543 HH Annotated Anodyne Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)sc1C ZINC000082164546 HH Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)CC1 ZINC000082165739 HH Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)C1 ZINC000082165810 HH Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccco3)n2)C1 ZINC000082165811 HH Annotated Anodyne CC(=O)NCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccco2)n1 ZINC000082166253 HH Annotated Anodyne COCCCNc1ncc(-c2ncc(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166614 HH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)NC)CC(C)(C)O2 ZINC000082171858 HH Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)NC)CC(C)(C)O2 ZINC000082171859 HH Annotated Anodyne CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc(C)c2)s1 ZINC000082173350 HH Annotated Anodyne CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc(C)c2)s1 ZINC000082173351 HH Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2-c2nc(C)c(C)s2)c1 ZINC000082173353 HH Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2-c2nc(C)c(C)s2)c1 ZINC000082173355 HH Annotated Anodyne CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccccc2F)s1 ZINC000082175634 HH Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3F)n2)CC1 ZINC000082175636 HH Annotated Anodyne CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccccc2C)s1 ZINC000082177407 HH Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)s3)c(-c3ccccc3C)n2)CC1 ZINC000082177408 HH Annotated Anodyne CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2C)s1 ZINC000082177444 HH Annotated Anodyne CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2C)s1 ZINC000082177445 HH Annotated Anodyne Cc1ccccc1-c1nc(N2CCC[C@H](C(N)=O)C2)ncc1-c1nc(C)c(C)s1 ZINC000082177446 HH Annotated Anodyne Cc1ccccc1-c1nc(N2CCC[C@@H](C(N)=O)C2)ncc1-c1nc(C)c(C)s1 ZINC000082177447 HH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC(C)(C)O2 ZINC000082177659 HH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC(C)(C)O2 ZINC000082177662 HH Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC(C)(C)O2 ZINC000082177664 HH Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC(C)(C)O2 ZINC000082177665 HH Annotated Anodyne COc1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082177801 HH Annotated Anodyne COc1cc(-c2nc3c(NCC(C)C)ncnc3n2CCc2ccccn2)ccc1O ZINC000082177817 HH Annotated Anodyne CC(C)CNc1ncnc2c1nc(CC(C)C)n2CCCCOC(=O)C(F)(F)F ZINC000082178065 HH Annotated Anodyne CC(C)CNc1ncnc2c1nc(C(C)C)n2CCCCOC(=O)C(F)(F)F ZINC000082178138 HH Annotated Anodyne CCCc1nc2c(NCC(C)C)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082178153 HH Annotated Anodyne c1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3CCN2CCCCC2)cc1 ZINC000082178375 HH Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178386 HH Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178389 HH Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccoc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178418 HH Annotated Anodyne CC(C)Cc1nc2c(NCc3ccccc3)ncnc2n1CCCN1CCCC1=O ZINC000082178567 HH Annotated Anodyne CC(C)Cc1nc2c(NCc3cccs3)ncnc2n1CCCN1CCCC1=O ZINC000082178943 HH Annotated Anodyne COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179098 HH Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179280 HH Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(CC(C)C)n3CCCN2CCCC2=O)cc1 ZINC000082179299 HH Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C(C)C)n3CCCN2CCCC2=O)cc1 ZINC000082179359 HH Annotated Anodyne CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082179373 HH Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C2CC2)n3CCCN2CCCC2=O)cc1 ZINC000082179401 HH Annotated Anodyne COCCn1c(-c2cccc(O)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179474 HH Annotated Anodyne COc1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCc2ccccn2)cc1 ZINC000082179536 HH Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2cccnc2)n3C[C@@H]2CCCO2)c1 ZINC000082179539 HH Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2cccnc2)n3C[C@H]2CCCO2)c1 ZINC000082179540 HH Annotated Anodyne COc1cc(-c2nc3c(NCC4CC4)ncnc3n2CCc2ccccn2)ccc1O ZINC000082179550 HH Annotated Anodyne CC(=O)NCCn1c(C2CCCCC2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179589 HH Annotated Anodyne CC(C)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCN1CCCC1=O ZINC000082179695 HH Annotated Anodyne CCCc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCN1CCCC1=O ZINC000082179711 HH Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(C2CC2)n3CCN2CCCCC2)c1 ZINC000082179728 HH Annotated Anodyne COCCn1c(-c2cccc(O)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179803 HH Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179963 HH Annotated Anodyne CC(=O)NCCn1c(-c2ccccc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180104 HH Annotated Anodyne COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180127 HH Annotated Anodyne CC(=O)NCCn1c(-c2ccsc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180263 HH Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180331 HH Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C(C)C)n2CCCN1CCCC1=O ZINC000082180463 HH Annotated Anodyne COCCn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180583 HH Annotated Anodyne COCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180626 HH Annotated Anodyne CC(=O)NCCn1c(C2CCCCC2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180790 HH Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccccc3F)ncnc2n1CCNC(C)=O ZINC000082181008 HH Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(C1CC1)n2CCN1CCCCC1 ZINC000082181018 HH Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082181027 HH Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082181030 HH Annotated Anodyne Fc1cccc(CNc2ncnc3c2nc(-c2cccnc2)n3C[C@@H]2CCCO2)c1 ZINC000082181557 HH Annotated Anodyne Fc1cccc(CNc2ncnc3c2nc(-c2cccnc2)n3C[C@H]2CCCO2)c1 ZINC000082181559 HH Annotated Anodyne O=C(OCCCCn1c(-c2ccoc2)nc2c(NCC3CC3)ncnc21)C(F)(F)F ZINC000082184582 HH Annotated Anodyne CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000082184730 HH Annotated Anodyne CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000082184733 HH Annotated Anodyne CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082185067 HH Annotated Anodyne COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185425 HH Annotated Anodyne CC(=O)NCCn1c(C2CCCCC2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185703 HH Annotated Anodyne CC(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082185831 HH Annotated Anodyne CC(C)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082185952 HH Annotated Anodyne CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082185992 HH Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cccc(O)c1)n2CCCN1CCCC1=O ZINC000082186234 HH Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCNC(C)=O ZINC000082186258 HH Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cccnc1)n2CCCN1CCCC1=O ZINC000082186439 HH Annotated Anodyne CCCCCNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCNC(C)=O ZINC000082186773 HH Annotated Anodyne CCCCCNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCNC(C)=O ZINC000082186778 HH Annotated Anodyne CC(C)Cc1nc2c(NCC3CC3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082186975 HH Annotated Anodyne COCCn1c(-c2ccc(OC)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187013 HH Annotated Anodyne COCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187069 HH Annotated Anodyne CC(=O)NCCn1c(C2CCCCC2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187293 HH Annotated Anodyne CC(C)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082187548 HH Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCNC(C)=O ZINC000082187592 HH Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(C2CC2)n3CCN2CCCCC2)cc1 ZINC000082187607 HH Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187622 HH Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187623 HH Annotated Anodyne CC(=O)NCCn1c(-c2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082187674 HH Annotated Anodyne CC(=O)NCCn1c(-c2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082187677 HH Annotated Anodyne CC(=O)NCCn1c(-c2ccsc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188242 HH Annotated Anodyne CC(=O)NCCn1c(-c2ccsc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188244 HH Annotated Anodyne CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188400 HH Annotated Anodyne CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188402 HH Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188453 HH Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188456 HH Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(C1CC1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188891 HH Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C1CC1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188894 HH Annotated Anodyne CC(=O)NCCn1c(CC(C)(C)C)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188947 HH Annotated Anodyne CC(=O)NCCn1c(CC(C)(C)C)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188950 HH Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(F)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082193260 HH Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(F)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082193263 HH Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(F)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082193267 HH Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(F)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082193272 HH Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082193274 HH Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082193277 HH Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)cc1 ZINC000082193313 HH Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)cc1 ZINC000082193316 HH Annotated Anodyne COc1cccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)c1 ZINC000082193318 HH Annotated Anodyne COc1cccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)c1 ZINC000082193320 HH Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(C#N)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194006 HH Annotated Mild CSCC[C@H](Nc1nc(-c2ccc(C#N)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194008 HH Annotated Mild CSCC[C@@H](Nc1nc(-c2ccc(C#N)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082195108 HH Annotated Mild CSCC[C@@H](Nc1nc(-c2ccc(C#N)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082195111 HH Annotated Mild COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(F)cc2F)cs1 ZINC000082195366 HH Annotated Anodyne COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000082195374 HH Annotated Anodyne COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccccc2OC)cs1 ZINC000082195377 HH Annotated Anodyne COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000082195422 HH Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(C#N)cc2)cs1)C(=O)NCC(F)(F)F ZINC000082195491 HH Annotated Mild CSCC[C@H](Nc1nc(-c2ccc(O)cc2)cs1)C(=O)NCC(F)(F)F ZINC000082195492 HH Annotated Anodyne CC(C)OCCCNC(=O)[C@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 ZINC000082195688 HH Annotated Anodyne CC(C)OCCCNC(=O)[C@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000082195689 HH Annotated Bother CC(C)OCCCNC(=O)[C@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000082195690 HH Annotated Bother COc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCCOC(C)C)n2)cc1 ZINC000082195692 HH Annotated Anodyne COc1cccc(-c2csc(N3CCC[C@@H]3C(=O)NCCCOC(C)C)n2)c1 ZINC000082195694 HH Annotated Anodyne COc1ccccc1-c1csc(N2CCC[C@@H]2C(=O)NCCCOC(C)C)n1 ZINC000082195695 HH Annotated Anodyne COc1ccc(-c2csc(NCCCC(=O)NCCCOC(C)C)n2)c(OC)c1 ZINC000082195739 HH Annotated Anodyne COc1ccc(OC)c(-c2csc(NCCCC(=O)NCCCOC(C)C)n2)c1 ZINC000082195740 HH Annotated Anodyne COc1ccc(-c2csc(NCCCC(=O)NCCCOC(C)C)n2)cc1OC ZINC000082195741 HH Annotated Anodyne CCOc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCCCOC)n2)cc1 ZINC000082195935 HH Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)CCC1CCCC1)CC3 ZINC000082196037 HH Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)CCC1CCCC1)CC3 ZINC000082196048 HH Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC3 ZINC000082196050 HH Annotated Anodyne O=C(C1CCCC1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196084 HH Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C1CCCC1)C3 ZINC000082196097 HH Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(Cl)cc1)CC3 ZINC000082196115 HH Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc2ccccc2c1)CC3 ZINC000082196133 HH Annotated Anodyne CCCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196162 HH Annotated Anodyne CC[C@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1)c1ccccc1 ZINC000082196195 HH Annotated Anodyne CC[C@@H](C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1)c1ccccc1 ZINC000082196196 HH Annotated Anodyne CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196215 HH Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(Cl)c1)CC3 ZINC000082196230 HH Annotated Anodyne CC(C)(C)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196270 HH Annotated Anodyne CCC[C@@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196342 HH Annotated Anodyne CCC[C@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196343 HH Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199014 HH Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199015 HH Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199016 HH Annotated Mild CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCN(c4ccccn4)CC3)ncc2C)C1 ZINC000082204107 HH Annotated Anodyne CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCN(c4ccccn4)CC3)ncc2C)C1 ZINC000082204110 HH Annotated Anodyne CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCN(c4ccccn4)CC3)ncc2C)C1 ZINC000082204111 HH Annotated Anodyne CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCN(c4ccccn4)CC3)ncc2C)C1 ZINC000082204113 HH Annotated Anodyne COC1CCC([C@H](C)Nc2nc(N3CCN(c4ccccn4)CC3)ncc2C)CC1 ZINC000082204115 HH Annotated Anodyne CCOc1ccc(CCNc2nc(N3CCN(c4ccccn4)CC3)ncc2C)cc1 ZINC000082204124 HH Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1cccc3ccccc13)CCN2 ZINC000082204583 HH Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)CCN2 ZINC000082204712 HH Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2 ZINC000082204721 HH Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2 ZINC000082204725 HH Annotated Anodyne CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082204792 HH Annotated Anodyne CC(C)n1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082204851 HH Annotated Anodyne CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205018 HH Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205084 HH Annotated Anodyne CCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205353 HH Annotated Anodyne CC(C)n1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205608 HH Annotated Anodyne CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205692 HH Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205783 HH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205922 HH Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205924 HH Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205926 HH Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](C(C)C)N2 ZINC000082206360 HH Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](C(C)C)N2 ZINC000082206361 HH Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206591 HH Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206592 HH Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206607 HH Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206609 HH Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](C)N2 ZINC000082206950 HH Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](C)N2 ZINC000082206951 HH Annotated Anodyne C[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206958 HH Annotated Anodyne C[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206960 HH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](C)N2 ZINC000082207195 HH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](C)N2 ZINC000082207197 HH Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207312 HH Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207314 HH Annotated Anodyne CC[C@@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207684 HH Annotated Anodyne CC[C@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082207687 HH Annotated Anodyne CC[C@@H]1Cn2c(c(NCC(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207985 HH Annotated Anodyne CC[C@H]1Cn2c(c(NCC(C)C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207987 HH Annotated Anodyne C=CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208462 HH Annotated Mild C=CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208463 HH Annotated Mild O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1)CN2 ZINC000082208480 HH Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1)CN2 ZINC000082208482 HH Annotated Anodyne CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208955 HH Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209208 HH Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209210 HH Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209216 HH Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209219 HH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209433 HH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209436 HH Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209444 HH Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209447 HH Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209454 HH Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209455 HH Annotated Anodyne CC(C)n1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209833 HH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209863 HH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209864 HH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCOCCCC ZINC000082210824 HH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCOCCCC ZINC000082210827 HH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCOCCCC ZINC000082210831 HH Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCOCCCC ZINC000082210833 HH Annotated Anodyne C[C@@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(CC3CCCCC3)c(=O)n21 ZINC000082211071 HH Annotated Anodyne C[C@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(CC3CCCCC3)c(=O)n21 ZINC000082211073 HH Annotated Anodyne C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211129 HH Annotated Anodyne C[C@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211131 HH Annotated Anodyne C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211162 HH Annotated Anodyne C[C@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211163 HH Annotated Anodyne C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082211405 HH Annotated Anodyne C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082211408 HH Annotated Anodyne C[C@@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082211473 HH Annotated Anodyne C[C@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082211474 HH Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](C)CN3)cc1 ZINC000082211796 HH Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@@H](C)CN3)cc1 ZINC000082211798 HH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](C)CN2 ZINC000082212221 HH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](C)CN2 ZINC000082212224 HH Annotated Anodyne CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)s1 ZINC000082219697 HH Annotated Anodyne CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)s1 ZINC000082219698 HH Annotated Anodyne CC(=O)NCCn1c(-c2ccsc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082221746 HH Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC(C)C)n2)cc1[N+](=O)[O-] ZINC000082222816 HH Annotated Bother CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222882 HH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082224372 HH Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224374 HH Annotated Anodyne CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082224393 HH Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1CC1CCCCC1)[C@H](c1ccccc1)CN2 ZINC000082224437 HH Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1CC1CCCCC1)[C@@H](c1ccccc1)CN2 ZINC000082224439 HH Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082224601 HH Annotated Mild CC[C@H](C)Nc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082224604 HH Annotated Mild Cc1nc2c(C(=O)N[C@@H](C)c3ccccc3)cnn2c(O)c1Cc1ccccc1F ZINC000082230263 HH Annotated Clean Cc1nc2c(C(=O)N[C@H](C)c3ccccc3)cnn2c(O)c1Cc1ccccc1F ZINC000082230264 HH Annotated Clean COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(O)cc1 ZINC000082230990 HH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(O)cc1 ZINC000082230991 HH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(O)cc1 ZINC000082230992 HH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccc(O)cc1 ZINC000082230993 HH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)cc1 ZINC000082231008 HH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)cc1 ZINC000082231009 HH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cccc(O)c1 ZINC000082231070 HH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cccc(O)c1 ZINC000082231071 HH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cccc(O)c1 ZINC000082231072 HH Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cccc(O)c1 ZINC000082231073 HH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000082231116 HH Annotated Mild CCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000082231117 HH Annotated Mild CC(C)c1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]c1=O ZINC000082231652 HH Annotated Anodyne C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C(C=O)[C@]2(C=O)[C@@H](O)C[C@H]1C ZINC000084154288 HH Annotated Reactive in-vitro biogenic CCCCOC(=O)CSc1ccc([N+](=O)[O-])c(SCC(=O)OCCCC)n1 ZINC000084154643 HH Annotated Bother in-vitro biogenic O=C1Nc2cccc(F)c2[C@H]1Cc1cccc(C[C@H]2C(=O)Nc3cccc(F)c32)n1 ZINC000084466187 HH Annotated Anodyne O=C1Nc2cccc(F)c2[C@@H]1Cc1cccc(C[C@@H]2C(=O)Nc3cccc(F)c32)n1 ZINC000084466188 HH Annotated Anodyne CC(C)c1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 ZINC000084596650 HH Annotated Anodyne O=S1(=O)N=C(O)c2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc21 ZINC000084596762 HH Annotated Anodyne CCCCn1c2c(cc(C(=O)NC3(C(=O)O)CCCCC3)c1=O)CCCCCC2 ZINC000084596803 HH Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCCC1 ZINC000084596825 HH Annotated Anodyne COc1cc(OC)c(/C=C/[S@](=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000084597144 HH Annotated Bother COc1cc(OC)c(/C=C/[S@@](=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000084597145 HH Annotated Bother Cc1ncccc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 ZINC000084601978 HH Annotated Anodyne CCCCN1Cc2cc(OC)c3c(c2-c2c(cc(OC)c4c2OCO4)C1=O)OCO3 ZINC000084603427 HH Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(CC(N)=O)cc1 ZINC000084604062 HH Annotated Clean O=C(c1c(NC(=O)C23C[C@@H]4CC2C[C@@H](C4)C3)sc2c1CCOC2)N1CC(F)(F)C1 ZINC000084604309 HH Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccccc1[C@H](NC(=O)C(F)(F)F)C[C@@H]2O ZINC000084604632 HH Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccccc1[C@@H](NC(=O)C(F)(F)F)C[C@@H]2O ZINC000084604634 HH Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccccc1[C@H](NC(=O)C(F)(F)F)C[C@H]2O ZINC000084604636 HH Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccccc1[C@@H](NC(=O)C(F)(F)F)C[C@H]2O ZINC000084604638 HH Annotated Anodyne CCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@@H](C4)C3)sc2c1CCN(C)C2 ZINC000084605450 HH Annotated Anodyne Cc1cncc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)c1 ZINC000084614501 HH Annotated Anodyne Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)cn1 ZINC000084614895 HH Annotated Anodyne Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(C4CC4)ccc32)ccn1 ZINC000084616157 HH Annotated Anodyne CC(C)[C@H](NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)O ZINC000084616545 HH Annotated Anodyne Cc1ccccc1Nc1nc(N2CCNCC2)nc2c(NC3CCCCC3)ncnc12 ZINC000084617989 HH Annotated Anodyne CCCCCCNc1ncnc2c(Nc3ccccc3C)nc(N3CCNCC3)nc12 ZINC000084619030 HH Annotated Anodyne COc1cc(-c2cn([C@@H]3CCC[C@H](C(C)(C)C)NC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084619036 HH Annotated Anodyne COc1cc(-c2cn([C@H]3CCC[C@H](C(C)(C)C)NC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084619038 HH Annotated Anodyne COc1cc(-c2cn([C@@H]3CCC[C@@H](C(C)(C)C)NC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084619039 HH Annotated Anodyne COc1cc(-c2cn([C@H]3CCC[C@@H](C(C)(C)C)NC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084619042 HH Annotated Anodyne O=C(NN1C(=O)CCS[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccncc1 ZINC000084619637 HH Annotated Anodyne O=C(NN1C(=O)CCS[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccncc1 ZINC000084619638 HH Annotated Anodyne COc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)OC2=S)c1 ZINC000084619710 HH Annotated Anodyne CC(C)c1ccc(NC(=O)c2cccnc2F)c(N2CCN(c3cnccn3)CC2)c1 ZINC000084619910 HH Annotated Anodyne COc1ccc(C(=O)NCCNc2nc3cc(C)cc(C)c3cc2C#N)c(OC)c1 ZINC000084633845 HH Annotated Mild Cc1ncsc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 ZINC000084634320 HH Annotated Anodyne COc1cccc(OC)c1C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N ZINC000084635728 HH Annotated Mild O=C(NN1C(=O)CCS[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccncc1 ZINC000084635738 HH Annotated Anodyne O=C(NN1C(=O)CCS[C@H]1c1cccc(OCc2ccccc2)c1)c1ccncc1 ZINC000084635739 HH Annotated Anodyne CC1=CC(=O)c2c(ccc(C(C)c3ccc4c(c3O)C(=O)C=C(C)C4=O)c2O)C1=O ZINC000084635778 HH Annotated Mild ClCCCc1cn(-c2cc(-n3cc(CCCCl)nn3)c3ccccc3n2)nn1 ZINC000084635900 HH Annotated Reactive O=C(Nc1cccc(Nc2nc(-c3ccc(F)nc3)c3nc[nH]c3n2)c1)N1CCCC1 ZINC000084635940 HH Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(OC(C)=O)c(OC)cc3ccnc(c13)CC2 ZINC000084651954 HH Annotated Anodyne COCON1C(=O)/C(=C\C(C)C)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O ZINC000084652339 HH Annotated Anodyne Cc1c(-c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2)[nH]c2ccccc2c1=O ZINC000084652497 HH Annotated Anodyne C1=C(c2ccccn2)CN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CC1 ZINC000084652882 HH Annotated Anodyne Nc1ccc(-c2ccc(-c3cn(Cc4ccc(C(=O)O)cc4[N+](=O)[O-])nn3)cc2)cc1 ZINC000084653564 HH Annotated Bother COC(=O)CC/C=C/[C@@H](O)C/C=C/C=C/C=C/CC/C=C/C=C/[C@@H](O)[C@@H](C)CO ZINC000084655060 HH Annotated Anodyne CCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(-c2nnn[nH]2)c1 ZINC000084655338 HH Annotated Anodyne CN1C[C@H](c2ccccc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084668555 HH Annotated Clean CN1C[C@@H](c2ccccc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084668556 HH Annotated Clean Cc1ccc(S(=O)(=O)N[C@H](/C(=C/c2cccs2)[N+](=O)[O-])c2ccco2)cc1 ZINC000084670630 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](/C(=C/c2cccs2)[N+](=O)[O-])c2ccco2)cc1 ZINC000084670631 HH Annotated Anodyne COc1c(C(=O)NCc2ccc(F)cc2)ccc2c1C(=O)N(C)[C@H](c1ccco1)N2 ZINC000084671433 HH Annotated Anodyne COc1c(C(=O)NCc2ccc(F)cc2)ccc2c1C(=O)N(C)[C@@H](c1ccco1)N2 ZINC000084671434 HH Annotated Anodyne Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2cc(F)c(Br)c(F)c2)n1 ZINC000084672194 HH Annotated Anodyne Cc1cc(NCCc2cc[nH]c(=O)c2)nc(-c2ccc(Br)c(F)c2)n1 ZINC000084672445 HH Annotated Anodyne CC(C)OC(=O)COc1ccc(-c2cnc(N(C)CCc3ccncc3)nc2)cc1 ZINC000084672591 HH Annotated Anodyne CC(=O)c1ccc(OCc2cn(Cc3ccc(Br)cc3)nn2)cc1O ZINC000084687157 HH Annotated Anodyne Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)CN)C3(C)C)cc1 ZINC000084687268 HH Annotated Anodyne Cn1c(CNCCc2nc(C(=O)N3Cc4ccccc4C3)cs2)nc2ccccc21 ZINC000084687321 HH Annotated Anodyne CC1(C)CN(C(=O)CN)Cc2nc(-c3ccc(F)cc3)c(Nc3ccc(F)cc3)n21 ZINC000084687542 HH Annotated Anodyne Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2ccc(Br)cc2F)n1 ZINC000084687761 HH Annotated Anodyne Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2ccc(Br)c(F)c2)n1 ZINC000084687762 HH Annotated Anodyne CC1(C)Cn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)cc2)CN1C(=O)CN ZINC000084687768 HH Annotated Anodyne NCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)c(Cl)c2)C1 ZINC000084687938 HH Annotated Anodyne CCCCCC#CC#C/C=C/C[C@@H](C)C[C@@H]1C[C@H](C)/C(=C2/C(=O)[C@H](C)N(C)C2=O)N1N ZINC000084688173 HH Annotated Mild CCCCCC#CC#C/C=C/C[C@H](C)C[C@@H]1C[C@H](C)/C(=C2/C(=O)[C@H](C)N(C)C2=O)N1N ZINC000084688174 HH Annotated Mild CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O ZINC000084689807 HH Annotated Clean CC(C)(C)OC(=O)N1CCc2c(sc3ncn(-c4cccc(C=O)c4)c(=O)c23)C1 ZINC000084689808 HH Annotated Anodyne N=C(N)SCc1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1CSC(=N)N ZINC000084689897 HH Annotated Bother CCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(cc(OC)c(Cl)c1O)C2=O ZINC000084689973 HH Annotated Clean O=C(Nc1ccc(C2=NCCN2)cc1)c1sc2cc(C3=NCCN3)ccc2c1Cl ZINC000084690253 HH Annotated Anodyne CCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(cc(O)c(Cl)c1O)C2=O ZINC000084690262 HH Annotated Clean CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)CCS3(=O)=O)CC1 ZINC000084690793 HH Annotated Anodyne COc1cc(CN2CC[C@H](Cc3nc(-c4ccc5c(c4)CCO5)no3)C2)ccc1F ZINC000084703952 HH Annotated Anodyne COc1cc(CN2CC[C@@H](Cc3nc(-c4ccc5c(c4)CCO5)no3)C2)ccc1F ZINC000084703955 HH Annotated Anodyne COCON1C(=O)/C(=C/c2ccccc2)N(Cc2ccccc2)[C@@H](CC(C)C)C1=O ZINC000084705596 HH Annotated Anodyne CNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000084708936 HH Annotated Anodyne CNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000084708938 HH Annotated Anodyne Cn1cnnc1CN1CCC2(CC1)C(=O)N(c1cnc3ccccc3c1)c1ccccc12 ZINC000084709938 HH Annotated Anodyne O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ncon1)CC2 ZINC000084709940 HH Annotated Anodyne O=[S@@]1O[C@H](c2ccccc2)[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000084710666 HH Annotated Mild O=[S@]1O[C@H](c2ccccc2)[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000084710668 HH Annotated Mild O=C(O)c1ccc(Cn2cc(-c3ccc(-c4ccc(O)cc4)cc3)nn2)c([N+](=O)[O-])c1 ZINC000084710796 HH Annotated Bother COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)N(C)C)cc2C1 ZINC000084711585 HH Annotated Anodyne CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccc(Br)cc2)C1 ZINC000084713183 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CCCOc2ccc3c(c2)CCS3(=O)=O)CC1 ZINC000084713965 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)OCS3(=O)=O)CC1 ZINC000084713967 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)OCCS3(=O)=O)CC1 ZINC000084713971 HH Annotated Anodyne Cc1cccc(OCc2cc(=O)n3c(c2-c2cccnc2)SC[C@H]3C(=O)O)c1C ZINC000084714729 HH Annotated Anodyne CCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1OC1CCCCC1 ZINC000084727616 HH Annotated Anodyne O=C(O)c1ccc(Cn2cc(-c3ccc(-c4cccc(O)c4)cc3)nn2)c([N+](=O)[O-])c1 ZINC000084727874 HH Annotated Bother COCON1C(=O)/C(=C/C(C)C)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O ZINC000084728016 HH Annotated Anodyne CCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084728228 HH Annotated Mild CCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084728236 HH Annotated Mild C[C@@H]1CN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CCN1 ZINC000084728808 HH Annotated Anodyne C[C@H]1CN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CCN1 ZINC000084728813 HH Annotated Anodyne CCC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cn1 ZINC000084729557 HH Annotated Anodyne C[C@@H]1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1 ZINC000084730180 HH Annotated Anodyne C[C@H]1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1 ZINC000084730184 HH Annotated Anodyne C=CCNCCS(=O)(=O)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000084730293 HH Annotated Mild O=S(=O)(Nc1cc(Sc2cn[nH]n2)c(O)c2ccccc12)c1cccs1 ZINC000084733546 HH Annotated Clean CC(C)=CCC[C@]1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@@H](O)[C@H]1O ZINC000084756841 HH Annotated Anodyne CC(C)=CCC[C@@]1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@@H](O)[C@@H]1O ZINC000084756842 HH Annotated Bother CC(C)=CCC[C@]1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@@H](O)[C@@H]1O ZINC000084756844 HH Annotated Bother CC(C)=CCC[C@]1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@@H](O)[C@H]1O ZINC000084757501 HH Annotated Anodyne CC(C)=CCC[C@@]1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@@H](O)[C@@H]1O ZINC000084757504 HH Annotated Bother CC(C)=CCC[C@]1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@@H](O)[C@@H]1O ZINC000084757506 HH Annotated Bother O=C(OCc1cc(=O)c(O)co1)c1cc(C23CC4CC(CC(C4)C2)C3)c(O)cc1O ZINC000084758450 HH Annotated Anodyne CC(C)C[C@H]1CN(c2ccc(-c3ccccc3)c(C(=O)c3cccnc3N)n2)CCN1 ZINC000084759596 HH Annotated Anodyne COc1ccccc1SC[C@H](CN[C@@H]1COc2ccccc2SC1)OC(C)=O ZINC000084811002 HH Annotated Anodyne C=CC[C@H]1C=C[C@@H](O/N=C(\C)CCN2CCCCc3nc(C)c(C)cc32)[C@@H](CO)O1 ZINC000008582344 HH Annotated Mild FC(F)(F)c1cccc(N2CCN(c3ncnc4c3nc3n4CCCC3)CC2)c1 ZINC000008591350 HH Annotated Anodyne CCc1ccccc1NC(=O)CCn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000008593902 HH Annotated Anodyne CCCCN(C)C(=O)[C@@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1 ZINC000008596174 HH Annotated Anodyne CCCCN(C)C(=O)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1 ZINC000008596179 HH Annotated Anodyne COc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)cc1OC ZINC000008599920 HH Annotated Anodyne Cc1ccc(C)c(NC(=O)[C@@H](C)n2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)c1 ZINC000008604579 HH Annotated Anodyne Cc1ccc(C)c(NC(=O)[C@H](C)n2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)c1 ZINC000008604582 HH Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1cccc(Br)c1 ZINC000008605839 HH Annotated Anodyne O=C1CCCC2=Nc3nc(S)nc(O)c3[C@@H](c3ccc(Br)cc3)[C@@H]12 ZINC000008656627 HH Annotated Anodyne C[C@H](OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1)c1ccccn1 ZINC000008662297 HH Annotated Anodyne C[C@@H](OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1)c1ccccn1 ZINC000008662298 HH Annotated Anodyne COc1ccccc1NC(=O)N(CCN(C)C)Cc1cc2cc(C)ccc2nc1O ZINC000008667216 HH Annotated Anodyne O=C(CSc1ncn[nH]1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000008671022 HH Annotated Anodyne CC(C)c1ccc(SCc2noc(C(=O)NC[C@@H]3CCCO3)c2C(=O)O)cc1 ZINC000008672422 HH Annotated Anodyne CC(C)c1ccc(SCc2noc(C(=O)NC[C@H]3CCCO3)c2C(=O)O)cc1 ZINC000008672423 HH Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)NC(=O)N1CCCC(=O)O ZINC000008680143 HH Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)NC(=O)N1CCCC(=O)O ZINC000008680144 HH Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)NCc2ccco2)c1 ZINC000008682038 HH Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccco2)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000008682071 HH Annotated Anodyne C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccco1 ZINC000008684379 HH Annotated Reactive Cn1cnnc1SCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000008686399 HH Annotated Anodyne COCOc1ccc(OC)cc1C(=O)[C@H]1O[C@H]1c1ccc(OC)c(Br)c1 ZINC000008689792 HH Annotated Anodyne COCOc1ccc(OC)cc1C(=O)[C@@H]1O[C@H]1c1ccc(OC)c(Br)c1 ZINC000008689793 HH Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=S)NC(C)C)cc1OC ZINC000008690807 HH Annotated Mild COC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccco1 ZINC000008691310 HH Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1onc(CSc2cccc3ccccc23)c1C(=O)O ZINC000008691351 HH Annotated Anodyne O=C(NC[C@H]1CCCO1)c1onc(CSc2cccc3ccccc23)c1C(=O)O ZINC000008691352 HH Annotated Anodyne O=C1CCCC2=Nc3nc(S)nc(O)c3[C@H](c3ccc(Br)cc3)[C@H]12 ZINC000008762836 HH Annotated Anodyne Cc1nn(-c2ccccc2)c(O)c1/C=N/N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 ZINC000008829043 HH Annotated Mild CCOC(=O)c1cccc2c(O)c(C(=O)c3ccc(Cl)cc3)c(C(=O)OC)nc12 ZINC000008830413 HH Annotated Anodyne CCn1c(=O)c2sccc2n2c(CCC(=O)Nc3ccc(C(C)C)cc3)nnc12 ZINC000008830862 HH Annotated Anodyne CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CO1 ZINC000008860620 HH Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CO1 ZINC000008860621 HH Annotated Mild C[C@]1(OC(=O)c2cccs2)C(=O)C=C2C=C(c3ccc(C#N)cc3)OC=C2C1=O ZINC000008860704 HH Annotated Mild C[C@@]1(OC(=O)c2cccs2)C(=O)C=C2C=C(c3ccc(C#N)cc3)OC=C2C1=O ZINC000008860705 HH Annotated Mild Cc1ccc(C)c(Cn2c(C)c(CNCCCN3CCCC3=O)c(C(=O)O)c2C)c1 ZINC000008932575 HH Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)CCC[C@@]2(C)C2=C1C(=O)C([C@@H](C)COC(C)=O)=C(O)C2=O ZINC000085487036 HH Annotated Mild in-vitro biogenic CC[C@@H]1[C@@](O)(CC)C=C(C=O)[C@@H]2[C@H](OC(=O)c3c(C)cc(OC)cc3O)C[C@]12C ZINC000085487886 HH Annotated Reactive in-vitro biogenic COc1ccc([C@@H]2OC[C@@H]3[C@H](c4cc(OC)c(OC)c(OC)c4)OC[C@H]23)cc1OC ZINC000085511946 HH Annotated Anodyne in-vitro biogenic CC[C@@]1(O)CC[C@H]2CC=C3O/C(=C4\OC(=O)C(C)=C4OC)[C@@H](C)[C@@H]3[C@@H]3CCC[C@@H]1N23 ZINC000085532553 HH Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@@H]1[C@@H]2CC[C@H]3CC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@H](CC2)N31 ZINC000085532594 HH Annotated Anodyne in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542500 HH Annotated Mild in-vitro biogenic CC1(C)O[C@@]23CC[C@@H]1[C@](N)(CCO)[C@H]2C#CCc1cc(O)ccc1C[C@@H]1CCC[C@H]3C1 ZINC000085543155 HH Annotated Mild in-vitro biogenic CNCc1cc(O)cc2c1C[C@@H]1CCC[C@@H](C1)[C@]13CC[C@H]([C@H](N)[C@H]1C#CC2)C(C)(C)O3 ZINC000085543158 HH Annotated Mild in-vitro biogenic CC1(C)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)nc4)C3)C[C@@H]3CC[C@H](CO)[C@](N)(C2)[C@@H]31 ZINC000085543198 HH Annotated Anodyne in-vitro biogenic C[C@@]12CCC[C@@H]3C[C@@]([C@H]4CCC[C@H](Cc5ccc(N)nc5)C4)(C[C@@](N)(CCO)[C@@H]31)O2 ZINC000085543240 HH Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@](N)(CCCO)C2 ZINC000085543264 HH Annotated Anodyne in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2([C@H](N)C=O)[C@@H]1CCC[C@@H]([C@H](O)CCCO)C1 ZINC000085544878 HH Annotated Mild in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2CN[C@@H]1CCCC12CCCC2 ZINC000085547804 HH Annotated Anodyne in-vitro biogenic COc1c(C)c(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000085548443 HH Annotated Anodyne CC1(C)[C@@H]2CC[C@@H](CCCCO)[C@]13CC(=O)C(CCC[C@H]1CCNC(N)=N1)=C3C2 ZINC000085549597 HH Annotated Mild in-vitro biogenic CC1(C)[C@H]2CC3=C(CCCCN=C(N)N)C(=O)C[C@]31[C@H](C1CCCC1)[C@@H](CO)C2 ZINC000085549630 HH Annotated Mild in-vitro biogenic CNC(=N)NCC[C@]1(O)CC[C@H]2[C@@H]1C[C@@H](C1=CCC[C@H]3CCCC[C@@H]13)CC[C@@]2(C)O ZINC000085549771 HH Annotated Anodyne in-vitro biogenic C=C(C1CCCCC1)[C@H]1C[C@H]2CC[C@@H]1[C@H]1[C@H](CC[C@@]1(O)CCNC(=N)NC)[C@]2(C)O ZINC000085549776 HH Annotated Mild in-vitro biogenic C=C(C1CCCCC1)[C@@H]1C[C@H]2[C@H](CC[C@@]2(O)CCNC(=N)NC)[C@@]2(O)CC=C[C@@H]1C2 ZINC000085549787 HH Annotated Mild in-vitro biogenic C=C(C)[C@H]1CC[C@@](C)(O)[C@H]2CC[C@@](O)(CCNC(=N)NCCc3ccccc3)[C@H]2C1 ZINC000085549871 HH Annotated Mild in-vitro biogenic COc1ccc2c(c1)[C@H](O)[C@H]([C@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)CO2 ZINC000085593015 HH Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2C ZINC000085594144 HH Annotated Anodyne in-vitro biogenic CC(C)c1c2c(c(OC3CCCC3)c3c(=O)cc(CO)oc13)C[C@@H](C(C)(C)O)O2 ZINC000085594452 HH Annotated Anodyne in-vitro biogenic CCCOc1c2c(cc3oc(CO)c(CCC(C)C)c(=O)c13)O[C@H](C(C)(C)O)C2 ZINC000085594501 HH Annotated Anodyne in-vitro biogenic CCOC(=O)C1=CC(=C2CCCC2)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 ZINC000085595058 HH Annotated Anodyne in-vitro biogenic COc1c(O)c(O)cc2c1C=C[C@@H]1[C@@H]2O[C@H]2C[C@H](c3ccc(O)cc3)CC[C@H]2[C@H]1O ZINC000085596388 HH Annotated Clean in-vitro biogenic COc1c(O)c(O)cc2c1CC[C@H]1[C@@H]2O[C@H]2C[C@@H](c3ccc(O)cc3)CC[C@@H]2[C@H]1O ZINC000085596390 HH Annotated Clean in-vitro biogenic C[C@@H]1CCC/C=C/C=C/C(=O)C[C@@H](O)C/C=C\C=C\[C@H](O)C/C=C/C=C\C(=O)O1 ZINC000085597029 HH Annotated Mild C[C@H](O)CCC/C=C/CCC(=O)C[C@H](O)C/C=C\C=C\[C@H](O)C/C=C/C=C\C(=O)O ZINC000085597045 HH Annotated Anodyne COc1c(O)ccc(CCC(=O)C[C@H](O)CCCO)c1-c1ccc2ccc(O)cc2c1 ZINC000085597465 HH Annotated Anodyne in-vitro biogenic CCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1-c1ccc(CN)cc1)OCNC ZINC000085597478 HH Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(OCc2ccc3cc(O)ccc3c2)c1)C[C@H](O)CCCO ZINC000085597495 HH Annotated Anodyne in-vitro biogenic O[C@H]1[C@H](O)CO[C@@H](n2c3ccc(Cl)cc3c3ccc4c5ccccc5[nH]c4c32)[C@@H]1O ZINC000085599975 HH Annotated Bother CCCC[C@@H]1CC[C@](CCc2cc(CNC)c(O)c(OC)c2)(OC(C)=O)C[C@H]1O ZINC000085627678 HH Annotated Clean in-vitro biogenic COc1cc(CC[C@]2(OC(C)=O)CC[C@H](CCCCCCO)[C@H](O)C2)ccc1O ZINC000085627722 HH Annotated Anodyne in-vitro biogenic COc1cc(C[C@H]2CC#C[C@H]3C[C@H](CC[C@H]3C)[C@H](O)C[C@@H]2OC(C)=O)ccc1O ZINC000085628446 HH Annotated Mild in-vitro biogenic C[C@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OC[N+]3=CC4=CC=NC4=C3)c2)CC1 ZINC000085629155 HH Annotated Anodyne in-vitro biogenic CNC[C@H](C)C[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c1ccc(O)c(OC)c1 ZINC000085630766 HH Annotated Mild in-vitro biogenic COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(O)c1 ZINC000085635036 HH Annotated Reactive in-man COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(O)c1 ZINC000085635039 HH Annotated Reactive in-man COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(O)c1 ZINC000085635043 HH Annotated Reactive in-man COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@@H]4C=C(C=O)[C@]23O)c(O)c1 ZINC000085635046 HH Annotated Reactive in-man CO[C@]12C(C=O)=C[C@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000085635068 HH Annotated Reactive in-man CO[C@]12C(C=O)=C[C@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000085635071 HH Annotated Reactive in-man CO[C@]12C(C=O)=C[C@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000085635072 HH Annotated Reactive in-man CO[C@]12C(C=O)=C[C@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000085635075 HH Annotated Reactive in-man COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]2C(C=O)=C[C@@]2(O)CC(C)(C)C[C@@H]23)c(O)c1 ZINC000085635134 HH Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]2C(C=O)=C[C@@]2(O)CC(C)(C)C[C@@H]23)c(O)c1 ZINC000085635136 HH Annotated Reactive in-man COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]2C(C=O)=C[C@@]2(O)CC(C)(C)C[C@H]32)c(O)c1 ZINC000085635139 HH Annotated Reactive in-man COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]2C(C=O)=C[C@@]2(O)CC(C)(C)C[C@H]32)c(O)c1 ZINC000085635140 HH Annotated Reactive in-man CC(=O)O[C@H]1CC2=C(COC2=O)[C@]2(C)[C@@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12 ZINC000085637680 HH Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](C4=CC(=O)O[C@H]4O)OC[C@]3(O)CC[C@H]21 ZINC000085639889 HH Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)C(c1c(C)cc3c(c1O)C(=O)C=C(Cl)C3=O)=CC2=O ZINC000085647836 HH Annotated Mild Cc1cc(O)c2c(c1)C(=O)C(c1c(C)cc3c(c1O)C(=O)C(Cl)=CC3=O)=CC2=O ZINC000085647838 HH Annotated Mild Cc1cc(O)c2c(c1)C(=O)C(c1c(C)cc3c(c1O)C(=O)C(Cl)=C(O)C3=O)=CC2=O ZINC000085647841 HH Annotated Mild C[C@@H]1CC[C@@]2(COC(=O)CC(=O)O)C(CO)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000085669462 HH Annotated Anodyne COc1cc(C(=O)O[C@@H]2C/C(C)=C/CC[C@@]3(C)O[C@@H]3[C@H](O)[C@@H]2C(C)C)ccc1O ZINC000085692228 HH Annotated Anodyne CC1=C(C(C)C2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O ZINC000085734971 HH Annotated Mild in-vitro biogenic CC1=CC(=O)c2c(ccc([C@H](C)C3=C(C)C(=O)c4cccc(O)c4C3=O)c2O)C1=O ZINC000085734978 HH Annotated Mild CCCc1c(C(=O)OC)c(OC)cc2c1C(=O)C1=C(C2=O)C(C)(C)C(=O)C(C)=C1O ZINC000085798429 HH Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@H]1CO[C@@H]2[C@@H]1C ZINC000085836819 HH Annotated Anodyne in-vitro biogenic COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H]1CO[C@@H]2[C@@H]1C ZINC000085836823 HH Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H]1CO[C@@H]2[C@@H]1C ZINC000085836825 HH Annotated Anodyne in-vitro biogenic CC1=CC(=O)c2c(ccc(-c3ccc4c(c3O)C(=O)C3=C(C4=O)C(C)(C)O3)c2O)C1=O ZINC000085839745 HH Annotated Mild CCCCCC[C@H](C)C(=O)C1=C2C(C(=O)OC)=C3C=C(C)OC[C@H]3[C@]2(C)OC1=O ZINC000085857231 HH Annotated Mild O=C(CCCCCCCCCCc1ccc2c(c1)OCO2)[C@H]1C(=O)CC[C@@H](O)C1=O ZINC000085881554 HH Annotated Anodyne COc1c(C)c(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@](C)(O)[C@H]2O)oc(=O)c1C ZINC000085907367 HH Annotated Anodyne in-man CCOC1=CC(=O)c2c(c(O)cc(C)c2-c2c(C)cc3c(c2O)C(=O)C=CC3=O)C1=O ZINC000085944796 HH Annotated Mild CCOC1=CC(=O)c2c(cc(C)c(-c3c(C)cc(O)c4c3C(=O)C=CC4=O)c2O)C1=O ZINC000085944799 HH Annotated Mild CCOC1=CC(=O)c2cc(C)c(-c3c(C)cc(O)c4c3C(=O)C=CC4=O)c(O)c2C1=O ZINC000085944801 HH Annotated Mild COc1cc2c3c(c4ccc(O)c(OC)c4c2cc1OC)[C@H](O)[C@@H]1CCC[N+]1([O-])C3 ZINC000085949676 HH Annotated Bother COC1=C(OC)[C@@]23O[C@@H](c4cc(OC)c(OC)c(OC)c42)[C@H](C)[C@H](C)CC3=CC1=O ZINC000085954135 HH Annotated Mild in-vitro biogenic COC1=C(OC)C(=O)[C@@]23O[C@@H](c4cc(OC)c(OC)c(OC)c42)[C@H](C)[C@H](C)CC3=C1 ZINC000085954188 HH Annotated Mild COC(=O)[C@@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000085957178 HH Annotated Anodyne in-man COC(=O)[C@]1(OC(C)=O)C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000085957181 HH Annotated Anodyne in-man COc1ccc([C@H]2N(c3cc(Cl)ccc3OC)C(=O)[C@@H]3CCCN32)cc1OC ZINC000085988161 HH Annotated Anodyne COc1cc(OC)c([C@H]2N(c3ccc(Cl)cc3)C(=O)[C@@H]3CCCN32)cc1OC ZINC000085988301 HH Annotated Anodyne Br/C(I)=C\C(Br)Br ZINC000086000736 HH Annotated Reactive COc1cc(C)cc2c1C(=O)C(c1c(C)cc(OC)c3c1C(=O)C=CC3=O)=CC2=O ZINC000086042173 HH Annotated Mild CC1(C)C=Cc2c(c(C[C@H](O)[C@@H]3OC3(C)C)c3oc4ccc(O)cc4c(=O)c3c2O)O1 ZINC000087529363 HH Annotated Bother in-vitro CC1(C)C=Cc2c(c(C[C@@H](O)[C@@H]3OC3(C)C)c3oc4ccc(O)cc4c(=O)c3c2O)O1 ZINC000087529364 HH Annotated Bother in-vitro COc1cc(/C=N/Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1O ZINC000087613143 HH Annotated Mild COc1ccc(-c2csc3c2-n2cccc2C3=O)cc1OC(=O)CCCC(=O)O ZINC000087723070 HH Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N)CC2 ZINC000088260820 HH Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](N)CC2 ZINC000088260821 HH Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 ZINC000088260822 HH Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 ZINC000088260823 HH Annotated Anodyne N[C@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@H]1Cc1ccc(F)c(F)c1 ZINC000088260868 HH Annotated Anodyne N[C@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@@H]1Cc1ccc(F)c(F)c1 ZINC000088260869 HH Annotated Anodyne N[C@@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@H]1Cc1ccc(F)c(F)c1 ZINC000088260870 HH Annotated Anodyne N[C@@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@@H]1Cc1ccc(F)c(F)c1 ZINC000088260871 HH Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(F)cc1)[C@H](N)CC2 ZINC000088260924 HH Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)[C@H](N)CC2 ZINC000088260925 HH Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(F)cc1)[C@@H](N)CC2 ZINC000088260926 HH Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)[C@@H](N)CC2 ZINC000088260927 HH Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CCC1)CC2 ZINC000088261017 HH Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N1CCC1)CC2 ZINC000088261018 HH Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CCC1)CC2 ZINC000088261019 HH Annotated Anodyne CCCS(=O)(=O)NCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N1CCC1)CC2 ZINC000088261020 HH Annotated Anodyne CCCS(=O)(=O)N(C)Cc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](NC)CC2 ZINC000088261107 HH Annotated Anodyne CCCS(=O)(=O)N(C)Cc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](NC)CC2 ZINC000088261108 HH Annotated Anodyne CCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N2 ZINC000088771454 HH Annotated Clean O=C1/C(=C\c2cccc3[nH]ccc23)N(Cc2cccnc2)S(=O)(=O)c2ccccc21 ZINC000089204179 HH Annotated Mild CC(C)Cc1c2c(c(O)c(=O)n1C(C)C)C(=O)N(Cc1ccc(F)c(Cl)c1)C2=O ZINC000089464865 HH Annotated Anodyne CCCn1nccc1NC(=O)CN(Cc1nc(C2CCCCCC2)no1)C1CC1 ZINC000089960599 HH Annotated Anodyne COC(=O)C1=C(O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)N=C1C ZINC000009057753 HH Annotated Anodyne Cc1cc(=O)[nH]c(N/N=C/c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)n1 ZINC000009140519 HH Annotated Mild CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1Nc1ccc2c(c1)OCO2 ZINC000009251818 HH Annotated Anodyne Cc1cc(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)c(C)n1CC(F)(F)F ZINC000009284215 HH Annotated Mild CCOC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)C(c3ccc(C(C)C)cc3)=C2C)C1 ZINC000009286743 HH Annotated Anodyne CCOC(=O)[C@H]1CCCN(C2=NS(=O)(=O)C(c3ccc(C(C)C)cc3)=C2C)C1 ZINC000009286746 HH Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@H]4C=C(C=O)[C@]23O)c(O)c1 ZINC000090516585 HH Annotated Reactive in-man endogenous O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000009616265 HH Annotated Anodyne Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(CC(=O)NCc3ccco3)c21 ZINC000009645132 HH Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(C)cc3)c21 ZINC000009673102 HH Annotated Anodyne O=C1[C@@H](Cc2ccc(O)cc2)N=C2C(Cc3ccccc3)=NC(c3ccc(O)cc3)=CN12 ZINC000095079450 HH Annotated Anodyne O=C1[C@H](Cc2ccc(O)cc2)N=C2C(Cc3ccccc3)=NC(c3ccc(O)cc3)=CN12 ZINC000095079451 HH Annotated Anodyne CC1=C(/C=C/C(C)=C/CC[C@@H](C)C(=O)NCCS(=O)(=O)O)C(C)(C)CCC1=O ZINC000095099633 HH Annotated Mild in-vitro biogenic CC1=C(/C=C/C(C)=C/CC[C@H](C)C(=O)NCCS(=O)(=O)O)C(C)(C)CCC1=O ZINC000095099634 HH Annotated Mild in-vitro biogenic C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000095453723 HH Annotated Anodyne C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000095453724 HH Annotated Anodyne CC(C)(OCc1ccccc1)c1nc2nc(N)c(C(N)=O)cc2cc1Br ZINC000095552171 HH Annotated Anodyne COc1cc(-c2cn[nH]c2)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 ZINC000095552234 HH Annotated Anodyne CC(C)C[C@H](C(N)=O)N(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095552820 HH Annotated Anodyne CCOC(=O)c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(OC(F)(F)F)ccc2c1=O ZINC000095553298 HH Annotated Anodyne O=C(O)Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1 ZINC000095554018 HH Annotated Anodyne CC(C)C[C@H](C(N)=O)N(CCSC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000095554289 HH Annotated Anodyne CC(C)CN(Cc1cc(O)c2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccncc1 ZINC000095554398 HH Annotated Anodyne O=C(Cc1cc2cccnn2c1-c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1CO ZINC000095555779 HH Annotated Anodyne O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1CC1(O)CCCCC1 ZINC000095555907 HH Annotated Anodyne COc1cc(CN(C(C)C)S(=O)(=O)c2ccccn2)cc2c1OC(C)(C)C=C2 ZINC000095556134 HH Annotated Anodyne CCOP(=O)(OCC)C(=O)NCCCCNC(=O)P(=O)(OCC)OCC ZINC000095556174 HH Annotated Anodyne CCc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000095556347 HH Annotated Anodyne COC(=O)N1CCc2c(n(C(=O)OC(C)(C)C)c3ccccc23)[C@@H]1C(OC)OC ZINC000095556643 HH Annotated Anodyne COC(=O)N1CCc2c(n(C(=O)OC(C)(C)C)c3ccccc23)[C@H]1C(OC)OC ZINC000095556644 HH Annotated Anodyne CC(C)CN(Cc1cc(O)c2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccccn1 ZINC000095557522 HH Annotated Anodyne CCOC(=O)[C@@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC ZINC000095557645 HH Annotated Anodyne CCOC(=O)[C@H]1c2c(c3ccccc3n2C(=O)OC(C)(C)C)CCN1C(=O)OC ZINC000095557646 HH Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccccc3)[C@@H](O)[C@]12C ZINC000095557833 HH Annotated Anodyne Cc1noc(Cn2nc3ccc(-c4ccc(Oc5ccc(F)cc5)cc4)cn3c2=O)n1 ZINC000095558341 HH Annotated Anodyne Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)nc1 ZINC000095558449 HH Annotated Anodyne COc1ccc(C(=O)n2nc(C)c3nnc4cc(Cl)c(F)cc4c32)cc1OC ZINC000095558471 HH Annotated Anodyne COc1cc([C@H]2O[C@@]3(c4cc(OC)c5c(c4)OCO5)O[C@@]3(C)[C@@H]2C)cc2c1OCO2 ZINC000095558487 HH Annotated Anodyne NC(=O)[C@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000095558619 HH Annotated Anodyne CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(F)cc3F)cc21 ZINC000095558777 HH Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(F)cc3F)cc21 ZINC000095558778 HH Annotated Anodyne COc1cccc2cc(C(=O)/C=C/c3cc[n+](Cc4cccc(C#N)c4)cc3)c(=O)oc12 ZINC000095560612 HH Annotated Mild CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(F)cc(F)c3)cc21 ZINC000095561647 HH Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(F)cc(F)c3)cc21 ZINC000095561648 HH Annotated Anodyne CCOc1ccc2c(c1CN1CCNCC1)O/C(=C\c1c[nH]c3ccccc13)C2=O ZINC000095561652 HH Annotated Mild CC1(OC(=O)N2CCC(n3ncc(COc4ccc(C#N)cc4F)c3C#N)CC2)CC1 ZINC000095561982 HH Annotated Mild O=C(CSc1nncnc1-c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000095562223 HH Annotated Bother CCCOc1ccc2c(c1CN1CCNCC1)O/C(=C\c1c[nH]c3ccccc13)C2=O ZINC000095562420 HH Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccccc3)[C@@H](O)[C@@]12C ZINC000095562562 HH Annotated Anodyne NC(=O)[C@@H](Cc1ccccc1Cl)CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000095562970 HH Annotated Anodyne COc1ccc(CC2(CCCCCCCC(F)(F)F)C(=O)NC(=O)NC2=O)cc1 ZINC000095563322 HH Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2c(Br)n[nH]c12 ZINC000095563516 HH Annotated Anodyne Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)nc(OC3CCN(C)CC3)c12 ZINC000095564438 HH Annotated Anodyne Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)nc(OC3CCN(C)CC3)c12 ZINC000095564439 HH Annotated Anodyne Cc1csc2nc([C@H](C)Nc3ncnc4[nH]cnc34)c(-c3cccc(F)c3)c(=O)n12 ZINC000095564453 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)Oc3ccccc3)O[C@H]3CCCC[C@@H]32)cc1 ZINC000095564717 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)Oc3ccccc3)O[C@@H]3CCCC[C@@H]32)cc1 ZINC000095564718 HH Annotated Anodyne Cn1cccc1-c1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 ZINC000095565073 HH Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccccc2O)C1 ZINC000095565203 HH Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000095565206 HH Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(-c3ncccn3)cnc2C1 ZINC000095565303 HH Annotated Anodyne CN1C(=O)N(c2cccnc2Cl)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl ZINC000095565555 HH Annotated Anodyne Cc1cn(S(=O)(=O)c2cccc(NC3CCN(C)CC3)c2)c2ncc(Cl)cc12 ZINC000095566032 HH Annotated Anodyne COc1cc(Br)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000095566197 HH Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1CCc1ccccc1F ZINC000095566308 HH Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1CCc1ccccc1F ZINC000095566309 HH Annotated Anodyne CCOC(=O)C1=CC[C@H](c2cc3ccc(OC)cc3n2C(=O)OC(C)(C)C)NC1 ZINC000095566492 HH Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2cc3ccc(OC)cc3n2C(=O)OC(C)(C)C)NC1 ZINC000095566493 HH Annotated Anodyne O=C(c1ccccc1F)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095566496 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccs3)O[C@H]3CCCC[C@@H]32)cc1 ZINC000095566621 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccs3)O[C@@H]3CCCC[C@@H]32)cc1 ZINC000095566622 HH Annotated Anodyne CCOC(=O)C[C@@]1(C)Oc2cc(Cl)ccc2N1S(=O)(=O)c1ccc(C)cc1 ZINC000095566766 HH Annotated Anodyne CCOC(=O)C[C@]1(C)Oc2cc(Cl)ccc2N1S(=O)(=O)c1ccc(C)cc1 ZINC000095566767 HH Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095566787 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1c1cccc(C)c1 ZINC000095566828 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@H]1c1cccc(C)c1 ZINC000095566829 HH Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N/N=C2/c3ccccc3[C@H]3Cc4csc[n+]4[C@@H]23)c(C)c1 ZINC000095567010 HH Annotated Mild Cc1cc(C)c(S(=O)(=O)N/N=C2\c3ccccc3[C@H]3Cc4csc[n+]4[C@@H]23)c(C)c1 ZINC000095567011 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095567670 HH Annotated Mild Cc1ccc([N+](=O)[O-])cc1CN1CCN(c2ncc(Cc3ccccc3)cn2)CC1 ZINC000095567799 HH Annotated Bother CC(C)(C)c1cc2nc(-c3ccco3)cc(N3CCN(C(=O)c4ccoc4)CC3)n2n1 ZINC000095567937 HH Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2C2CCCCC2)N1CCc1ccc(O)cc1 ZINC000095568016 HH Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2C2CCCCC2)N1CCc1ccc(O)cc1 ZINC000095568017 HH Annotated Anodyne CCCCn1nnnc1[C@@H](c1ccccc1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000095568092 HH Annotated Anodyne CCCCn1nnnc1[C@H](c1ccccc1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000095568093 HH Annotated Anodyne O=C(NC1CCCC1)[C@@H]1c2ccccc2OCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000095568148 HH Annotated Anodyne O=C(NC1CCCC1)[C@H]1c2ccccc2OCC(=O)N1CCc1c[nH]c2ccccc12 ZINC000095568149 HH Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095568231 HH Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095568232 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(F)cc3)OC[C@@H]2C(C)C)cc1 ZINC000095568662 HH Annotated Anodyne CC(=O)N1CCN(c2cc(-c3ccco3)nc3cc(-c4cccc(Cl)c4)nn23)CC1 ZINC000095568735 HH Annotated Anodyne O=C(NC1CCCC1)[C@H](c1ccco1)N1CCN(c2c(Cl)cncc2Cl)CC1 ZINC000095568744 HH Annotated Anodyne O=C(NC1CCCC1)[C@@H](c1ccco1)N1CCN(c2c(Cl)cncc2Cl)CC1 ZINC000095568745 HH Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@H]1CO ZINC000095569164 HH Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095569316 HH Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095569317 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 ZINC000095569318 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000095569319 HH Annotated Anodyne CN1OC[C@@H]2CN(C(=O)c3cccnc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 ZINC000095569333 HH Annotated Clean O=C(c1ccccc1F)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 ZINC000095569602 HH Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@@H]1CO ZINC000095569831 HH Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@H]1CO ZINC000095569846 HH Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(c2ccncc2)CC1 ZINC000095569951 HH Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(c2ccncc2)CC1 ZINC000095569952 HH Annotated Anodyne CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C(C)C)C(=O)c1cc(OC)ccc12 ZINC000095570314 HH Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)OCc3ccccc3)OC[C@@H]2C(C)C)cc1 ZINC000095570637 HH Annotated Anodyne COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N(C(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000095570915 HH Annotated Anodyne CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@H]1CO ZINC000095571251 HH Annotated Anodyne CSCC[C@H](c1nnnn1C(C)(C)C)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095571310 HH Annotated Anodyne CSCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095571311 HH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)Cc4ccccc4)[C@H]3CO)cc2)c1 ZINC000095571363 HH Annotated Mild Cc1cccc(C)c1NC(=O)[C@]1(C)CSCC(=O)N1CCc1ccccc1F ZINC000095571386 HH Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@]1(C)CSCC(=O)N1CCc1ccccc1F ZINC000095571387 HH Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)CC1 ZINC000095571568 HH Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@@H](c4cnccn4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095572345 HH Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@H](c4cnccn4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095572346 HH Annotated Anodyne CS(=O)(=O)NC(=O)[C@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000095572429 HH Annotated Anodyne CS(=O)(=O)NC(=O)[C@@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000095572430 HH Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(F)ccc2c1=O ZINC000095572492 HH Annotated Anodyne Cc1c(N2C(=O)N(C)[C@](C)(c3ccc(O)cc3)C2=O)ccc(C#N)c1C(F)(F)F ZINC000095572818 HH Annotated Mild Cc1c(N2C(=O)N(C)[C@@](C)(c3ccc(O)cc3)C2=O)ccc(C#N)c1C(F)(F)F ZINC000095572819 HH Annotated Mild CCCOc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1 ZINC000095572943 HH Annotated Anodyne CN1C[C@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O ZINC000095573426 HH Annotated Anodyne CN1C[C@@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1=O ZINC000095573427 HH Annotated Anodyne COc1cc2cc(c1O)-c1cc(ccc1O)CC[C@@H](OS(=O)(=O)O)CCCC2 ZINC000095573556 HH Annotated Anodyne Nc1cccc(CN2C(=O)CN(/N=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)c1 ZINC000095573772 HH Annotated Mild COCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 ZINC000095574132 HH Annotated Anodyne CCCNc1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1 ZINC000095574150 HH Annotated Anodyne CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 ZINC000095574263 HH Annotated Anodyne COc1ccccc1Cn1c(-c2cccnc2N)nc2cc(Br)cnc21 ZINC000095575750 HH Annotated Anodyne CSc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)O)cc1 ZINC000095575807 HH Annotated Anodyne CN(C)CCCN(C)c1cc2nc(-c3ccccc3)nn3c4ccccc4c(c1=O)c23 ZINC000095575943 HH Annotated Bother COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3C2CCOCC2)ccc1-n1cnc(C)c1 ZINC000095576300 HH Annotated Anodyne Cc1cn([C@H]2CCCN(Cc3cccc(Oc4cccc(F)c4)c3)C2)c(=O)[nH]c1=O ZINC000095576336 HH Annotated Anodyne CN(C)CCCN(C)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O ZINC000095576641 HH Annotated Anodyne O=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1N1CCSCC1 ZINC000095578880 HH Annotated Anodyne CC(C)C(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1ccccc1)C2 ZINC000095579049 HH Annotated Anodyne CCCN(C)c1nc(N2CCC[C@@H](CC(=O)O)C2)ccc1C(=O)NC1CCCCC1 ZINC000095579450 HH Annotated Anodyne COc1cccc(-c2cccc([C@@]3(C4CCN(C(C)=O)CC4)N=C(C)C(N)=N3)c2)c1 ZINC000095579778 HH Annotated Anodyne COc1cccc(-c2cccc([C@]3(C4CCN(C(C)=O)CC4)N=C(C)C(N)=N3)c2)c1 ZINC000095579779 HH Annotated Anodyne O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1cn(-c3ccccc3)cc1-2 ZINC000095579841 HH Annotated Anodyne O=c1[nH]c2c(cc1S(=O)(=O)c1ccccc1)CCc1cn(Cc3ccccc3)cc1-2 ZINC000095579901 HH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nnc[nH]2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095580740 HH Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cccc(-n2cccn2)c1 ZINC000095580925 HH Annotated Mild N#C[C@@H](C(=O)NCc1ccc(O)cc1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000095581048 HH Annotated Mild N#C[C@H](C(=O)NCc1ccc(O)cc1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000095581049 HH Annotated Mild COc1cc2c(cc1OC)C(=O)[C@H](CCCCN[C@@H]1CCCc3[nH]c(=O)ccc31)C2 ZINC000095581267 HH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@H](CCCCN[C@@H]1CCCc3[nH]c(=O)ccc31)C2 ZINC000095581268 HH Annotated Anodyne Cc1onc(NC(=O)N2CCN(c3nc(-c4ccccc4F)cs3)CC2)c1C ZINC000095581270 HH Annotated Anodyne N#Cc1ccc(CNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000095581327 HH Annotated Mild N#Cc1ccc(CNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000095581328 HH Annotated Mild CCSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1cc(C)cc(F)c1 ZINC000095581664 HH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@H](CCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 ZINC000095581844 HH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@H](CCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 ZINC000095581845 HH Annotated Anodyne Cc1nc(N(C(=O)c2ccco2)C(=O)c2ccco2)c2nn(-c3ccccc3)cc2n1 ZINC000095581918 HH Annotated Anodyne COc1cc(C(=O)c2nc3cc(Br)ccc3n2C)cc(OC)c1OC ZINC000095582123 HH Annotated Anodyne CCOCCCCCCCCCc1cc2cn([C@@H]3CC[C@H](CO)O3)c(=O)nc2o1 ZINC000095582348 HH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2cccn2)cc1 ZINC000095582376 HH Annotated Mild COC1=C(OC)C(=O)C(CCCCCCCCCC[N+]2(C)CCOCC2)=C(C)C1=O ZINC000095582527 HH Annotated Mild COC1=C(OC)C(=O)C(CCCCCCCCCCn2cc[n+](C)c2)=C(C)C1=O ZINC000095582610 HH Annotated Mild COc1ccc2sc(CNc3nncc(-c4c(OC)cccc4OC)n3)nc2c1 ZINC000095582755 HH Annotated Anodyne Cc1onc(NC(=O)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c1C ZINC000095583153 HH Annotated Anodyne COc1ccc(OCCCCCCN[C@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000095583168 HH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cccc(-c2ccn[nH]2)c1 ZINC000095583215 HH Annotated Mild N#Cc1cc(S(=O)(=O)N=c2[nH]cc[nH]2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095583448 HH Annotated Mild NC(=O)c1ccc2c(c1)OCCc1cc(-c3ncnn3-c3ccc(F)cc3F)sc1-2 ZINC000095584176 HH Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(CC2CC2)cc1 ZINC000095584300 HH Annotated Mild COc1cc2c(cc1OC)C(=O)[C@H](CCCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 ZINC000095584368 HH Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@H](CCCCCN[C@H]1CCCc3[nH]c(=O)ccc31)C2 ZINC000095584369 HH Annotated Anodyne NC(=O)c1ccc2c(c1)OCCc1cc(-c3nnnn3-c3ccccc3Cl)sc1-2 ZINC000095584669 HH Annotated Anodyne CCOC(=O)C1=C(C)N/C(=C/c2c(C)nn(-c3ccccc3C(F)(F)F)c2C)C1=O ZINC000095586058 HH Annotated Mild CC(C)=CC[C@@]12OC[C@@H]3[C@@H](COC(C)C)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O ZINC000095586390 HH Annotated Mild Cc1c(CCOCCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000095586392 HH Annotated Clean CN(C)CCn1nc2c3c(c(NCCc4cccs4)ccc31)C(=O)c1ccncc1-2 ZINC000095586517 HH Annotated Clean CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C1 ZINC000095586660 HH Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1O)[C@H](O)[C@@H](C)[C@@H](C)C2 ZINC000095586809 HH Annotated Anodyne CC(=O)NCc1cccc(-c2cc(=O)n(C[C@@H]3CN4CCC3CC4)c3ccccc23)c1 ZINC000095586873 HH Annotated Anodyne CC(=O)NCc1cccc(-c2cc(=O)n(C[C@H]3CN4CCC3CC4)c3ccccc23)c1 ZINC000095586874 HH Annotated Anodyne CN1CCC2(CC1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 ZINC000095586986 HH Annotated Anodyne CC1=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(\C)C/C=C/C(C)(C)O)C1 ZINC000095587089 HH Annotated Mild CCOC(=O)C1=C(C)N/C(=C/c2cn(-c3ccccc3C(F)(F)F)c(C)n2)C1=O ZINC000095587324 HH Annotated Mild CCN1CC[C@]2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 ZINC000095587743 HH Annotated Anodyne CCN1CC[C@@]2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12 ZINC000095587744 HH Annotated Anodyne COc1ccc2c(c1OC)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2 ZINC000095588291 HH Annotated Anodyne C[C@@]12CC[C@@H]3[C@@]4(C)C(=O)C=C[C@@]5(C)CO[C@H]([C@@H]54)[C@@H](O)[C@@]3(C)[C@@H]1C(=O)C[C@H]2c1ccoc1 ZINC000095588507 HH Annotated Anodyne COc1ccc(-c2nc3cc4c5c(cccc5c3o2)C(=O)N(CCN(C)C)C4=O)cc1 ZINC000095588601 HH Annotated Anodyne CNC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C1=O ZINC000095588791 HH Annotated Mild COc1ccc2c(c1)c(C(=O)C(=O)N1CCCC1)cn2C(=O)/C=C/c1ccccc1 ZINC000095588792 HH Annotated Anodyne CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)NC3CCCCCCCCC3)nc12 ZINC000095588816 HH Annotated Anodyne COc1ccc(-c2nn3c(CCC(=O)c4nc5ccccc5[nH]4)nnc3s2)cc1 ZINC000095589013 HH Annotated Anodyne CS(=O)(=O)Nc1cccc2c(O)cc(C(=O)NC3CCCCCCCC3)nc12 ZINC000095589277 HH Annotated Anodyne Cn1cc(-c2ccc(CN3C(=O)[C@@]4(CCN(CCF)C4)c4ccccc43)c(F)c2)cn1 ZINC000095589387 HH Annotated Anodyne Cn1cc(-c2ccc(CN3C(=O)[C@]4(CCN(CCF)C4)c4ccccc43)c(F)c2)cn1 ZINC000095589388 HH Annotated Anodyne CCCCCCCCOCCCCOC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OCO[C@H]21 ZINC000095589456 HH Annotated Mild CCOC(=O)/C(C#N)=C1\c2ccccc2-c2nc3c(nc21)c(C)nn3-c1ccccc1 ZINC000095589463 HH Annotated Reactive Cc1cc(Br)cc(Cn2c(=O)ccn(C/C=C/c3ccccc3)c2=O)c1 ZINC000095589661 HH Annotated Anodyne Cc1c(CCOCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000095590011 HH Annotated Clean COc1cccc(CN(C)Cc2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000095590377 HH Annotated Clean O=C(CCc1nnc2sc(-c3ccccc3S)nn12)c1nc2ccccc2[nH]1 ZINC000095590406 HH Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(O)c1CC ZINC000095591140 HH Annotated Anodyne COc1cc2c(c(OC)c1O)-c1c(cc(OC)c(OC)c1OC)C[C@H](C)[C@H](C)[C@H]2O ZINC000095591147 HH Annotated Anodyne CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(CN(C)C)cc3)c2C)C1=O ZINC000095591311 HH Annotated Mild CC(C)[C@H](NC(=O)OCCCl)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 ZINC000095591530 HH Annotated Reactive CC(C)[C@H](NC(=O)OCC(F)(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 ZINC000095591662 HH Annotated Anodyne COc1ccc(-c2c(CO)c(CO)c3n2Cc2c(c4ccccc4n2C)C3)cc1OC ZINC000095591835 HH Annotated Anodyne C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](O)[C@H](O)[C@H]1[C@](C)(C=O)C=CC(=O)[C@@]13C ZINC000095592552 HH Annotated Anodyne COc1ccc2c(c1C#CCCO)OCCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000095592829 HH Annotated Mild CCOC(=O)c1ccccc1SN1C(=O)C(=O)c2cccc(Br)c21 ZINC000095593124 HH Annotated Anodyne O=C(O)COCC(=O)Nc1ccc(Nc2ccccc2-c2ccccc2)c2nonc12 ZINC000095593202 HH Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCCn1c2ccccc2c(=O)c2ccccc21 ZINC000095594669 HH Annotated Bother O=C(O)[C@H]1CCCN(CCN/N=C/c2cc(F)ccc2-c2ccc(Cl)cc2)C1 ZINC000095595736 HH Annotated Mild O=C(O)[C@@H]1CCCN(CCN/N=C/c2cc(F)ccc2-c2ccc(Cl)cc2)C1 ZINC000095595737 HH Annotated Mild CC(C)(C)NC(=O)[C@H](c1cn[nH]n1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095595771 HH Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cn[nH]n1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095595772 HH Annotated Anodyne Cc1cc(OCc2cnnn2-c2cccc(O)c2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095596553 HH Annotated Anodyne O=C(O)[C@H]1CCCN(CCN/N=C/c2ccccc2-c2ccc(Cl)cc2F)C1 ZINC000095597480 HH Annotated Mild O=C(O)[C@@H]1CCCN(CCN/N=C/c2ccccc2-c2ccc(Cl)cc2F)C1 ZINC000095597481 HH Annotated Mild O=C(O)[C@H]1CCCN(CCN/N=C/c2ccccc2-c2ccc(F)cc2Cl)C1 ZINC000095598043 HH Annotated Mild O=C(O)[C@@H]1CCCN(CCN/N=C/c2ccccc2-c2ccc(F)cc2Cl)C1 ZINC000095598044 HH Annotated Mild CCOC(=O)[C@]1(C(=O)Nc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095598407 HH Annotated Anodyne CCOC(=O)[C@@]1(C(=O)Nc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095598408 HH Annotated Anodyne CCOC(=O)[C@]1(C(=O)Nc2ccc(F)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095598409 HH Annotated Anodyne CCOC(=O)[C@@]1(C(=O)Nc2ccc(F)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095598410 HH Annotated Anodyne C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)cn3)cc2)CCN1 ZINC000095598492 HH Annotated Anodyne C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)CCN1 ZINC000095598494 HH Annotated Anodyne C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(-c4cccc(F)c4)cn3)cc2)CCN1 ZINC000095598495 HH Annotated Anodyne C[C@H]1CN(c2cccc(NS(=O)(=O)c3cc4ccccc4s3)c2)C[C@@H](C)N1 ZINC000095598549 HH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N(C(=O)Cc4ccccc4)[C@H]3C#N)cc2)c1 ZINC000095598920 HH Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)C1CCCC1 ZINC000095599273 HH Annotated Mild COc1ccc([C@H]2CC(=O)C[C@@H](CCn3cc(CCc4ccccc4)nn3)O2)cc1 ZINC000095599332 HH Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095599628 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1c1ccc(C)cc1 ZINC000095599762 HH Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@H]1c1ccc(C)cc1 ZINC000095599763 HH Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CCCCC1 ZINC000095600009 HH Annotated Mild N#C[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095600215 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CCCCC1 ZINC000095600481 HH Annotated Mild N#C[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095600563 HH Annotated Mild CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@@H]1CO ZINC000095600891 HH Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@H](N(Cc1ccccc1)Cc1ccccc1)C(=O)N2 ZINC000095601263 HH Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@@H](N(Cc1ccccc1)Cc1ccccc1)C(=O)N2 ZINC000095601264 HH Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@]1(C(=O)O)CCCN1C3 ZINC000095601392 HH Annotated Bother COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@]1(C(=O)O)CCCN1C3 ZINC000095601393 HH Annotated Bother CCCC(=O)Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1 ZINC000095601533 HH Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(ccc2n1Cc1cc(F)ccc1F)CCO3 ZINC000095601553 HH Annotated Anodyne CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3n[nH]c4ccc(OC(F)F)cc34)nc12 ZINC000095601871 HH Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2ccco2)C1=O ZINC000095602326 HH Annotated Anodyne N#C[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CCCCC1 ZINC000095602724 HH Annotated Mild CCCC[C@H]1OC(=O)c2cc(NC(=O)c3cccc(OCCO[N+](=O)[O-])c3)ccc21 ZINC000095602874 HH Annotated Anodyne CCCC[C@@H]1OC(=O)c2cc(NC(=O)c3cccc(OCCO[N+](=O)[O-])c3)ccc21 ZINC000095602875 HH Annotated Anodyne CCCCc1ccc(OCC(=O)N(Cc2nc(-c3cnccn3)no2)C(C)C)cc1 ZINC000095603330 HH Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)C1CCCC1 ZINC000095603386 HH Annotated Mild Cc1ccc(S(=O)(=O)OCCO[P@](C)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000095603547 HH Annotated Mild Cc1ccc(S(=O)(=O)OCCO[P@@](C)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000095603548 HH Annotated Mild CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4cccc(C(F)(F)F)c4)cc32)N=C1N ZINC000095603622 HH Annotated Anodyne CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4cccc(C(F)(F)F)c4)cc32)N=C1N ZINC000095603623 HH Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095603754 HH Annotated Anodyne CCc1oc(-c2ccc(OC)cc2)c(C(=O)OCCCCCO)c1[C@@H](C)OCCO ZINC000095604288 HH Annotated Anodyne CCc1oc(-c2ccc(OC)cc2)c(C(=O)OCCCCCO)c1[C@H](C)OCCO ZINC000095604289 HH Annotated Anodyne O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095604545 HH Annotated Anodyne CC1(C)CCC[C@@]2(CO)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](O)C4=C([C@H](O)OC4=O)[C@@]3(C)CC[C@@H]12 ZINC000095604730 HH Annotated Anodyne CC1(C)CCC[C@@]2(CO)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O)C4=C([C@H](O)OC4=O)[C@@]3(C)CC[C@@H]12 ZINC000095604731 HH Annotated Anodyne CCCCCNC(=O)[C@@H](c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095604808 HH Annotated Anodyne CCCCCNC(=O)[C@H](c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095604809 HH Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H](CO)N1S(=O)(=O)Cc1ccccc1 ZINC000095604864 HH Annotated Mild N#C[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095605391 HH Annotated Mild COC(=O)CCCC[C@@H]1O[C@H](CCc2ccccc2)Cc2[nH]c(=S)[nH]c(=O)c21 ZINC000095605652 HH Annotated Anodyne COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@H]2c2nnnn2C2CCCC2)c1 ZINC000095605730 HH Annotated Anodyne COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2C2CCCC2)c1 ZINC000095605731 HH Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccco2)C1=O ZINC000095605738 HH Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4cccnc4)cc3)cc2S1(=O)=O ZINC000095605798 HH Annotated Anodyne CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(-c4cccnc4)cc3)cc2S1(=O)=O ZINC000095605799 HH Annotated Anodyne O=C1C(=O)N(c2ccccc2Br)CCN1Cc1ccc(F)cc1Cl ZINC000095611031 HH Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@H](O)C2)cc1Cl ZINC000095612705 HH Annotated Mild CNC(=O)/C(=N/OC)c1ccccc1/C=N/O[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000095618465 HH Annotated Mild in-man biogenic CNC(=O)/C(=N/OC)c1ccccc1/C=N/O[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000095618466 HH Annotated Mild in-man biogenic C[C@H](C(=O)O)N1C(c2ccco2)=C(/C(C=O)=C\c2ccco2)C(=O)/C1=C\c1ccco1 ZINC000095619317 HH Annotated Reactive in-man CCCNC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095661139 HH Annotated Mild CC(C)[C@@H]1COCn2nncc2CC[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N1 ZINC000095661693 HH Annotated Anodyne C[C@H]1C/C=C\C[C@@H](c2ccc3c(c2)OCO3)NC(=O)[C@H](c2ccccc2)CC(=O)N1 ZINC000095661932 HH Annotated Anodyne COc1ccccc1CN1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1 ZINC000095662130 HH Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H](CO)N1C(=O)c1cccc(F)c1 ZINC000095662913 HH Annotated Mild C[C@@H]1C/C=C\C[C@H](c2ccc3c(c2)OCO3)NC(=O)[C@@H](c2ccccc2)CC(=O)N1 ZINC000095663008 HH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(CC2CC2)C1 ZINC000095663102 HH Annotated Anodyne CC(C)C#Cc1ccc([C@H]2[C@H]3CN(Cc4ccccn4)CCCCN3[C@H]2CO)cc1 ZINC000095663145 HH Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(CC2CCCCC2)CC1 ZINC000095663507 HH Annotated Anodyne CCCN1[C@H](CO)[C@H](c2ccc(-c3ccccc3F)cc2)[C@@H]1CNC(=O)C1CCC1 ZINC000095663559 HH Annotated Anodyne O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccc(Cl)cc1 ZINC000095663571 HH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(CC2CC2)C1 ZINC000095663705 HH Annotated Anodyne O=C1N[C@@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1cccc(Cl)c1 ZINC000095663784 HH Annotated Anodyne O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1cccc(Cl)c1 ZINC000095663924 HH Annotated Anodyne O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccc(Cl)cc1 ZINC000095663964 HH Annotated Anodyne C[C@H]1C/C=C\C[C@H](c2ccc3c(c2)OCO3)NC(=O)[C@H](c2ccccc2)CC(=O)N1 ZINC000095664172 HH Annotated Anodyne O=C(c1ccccc1F)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 ZINC000095664200 HH Annotated Anodyne N#C[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CCCC1 ZINC000095664897 HH Annotated Mild CC(C)[C@@H]1COCc2cn(nn2)CC[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N1 ZINC000095665132 HH Annotated Anodyne COc1cccc(CN2[C@H](CO)[C@@H](c3ccccc3)C23CN(Cc2ccccc2)C3)c1 ZINC000095665182 HH Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N1CC2=CCCC=C[C@H]2[C@@H]1[C@@H](O)Cc1ccccc1 ZINC000095665730 HH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CCC)[C@@H]2CN(CC)C(=O)c2ccccn2)cc1 ZINC000095667105 HH Annotated Anodyne N#C[C@@H]1[C@@H](c2ccccc2-c2ccc(F)cc2)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095667108 HH Annotated Mild N#C[C@@H]1[C@H](c2ccccc2-c2ccc(F)cc2)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095667113 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2-c2ccc(F)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095667120 HH Annotated Mild CC(=O)NC[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1CCC(F)(F)F ZINC000095667204 HH Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)c1ccncc1)[C@@H](CO)N2 ZINC000095667431 HH Annotated Anodyne CCCC#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1ccccc1C)[C@@H](CO)N2 ZINC000095667885 HH Annotated Mild N#C[C@H]1[C@@H](c2ccccc2-c2ccc(F)cc2)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095667934 HH Annotated Mild N#C[C@H]1[C@@H](c2ccccc2-c2ccc(F)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095667943 HH Annotated Mild N#C[C@@H]1[C@H](c2ccccc2-c2ccc(F)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095667947 HH Annotated Mild N#C[C@H]1[C@H](c2ccccc2-c2ccc(F)cc2)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095667950 HH Annotated Mild N#C[C@H]1[C@H](c2ccccc2-c2ccc(F)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095667954 HH Annotated Mild N#C[C@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095668027 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095668035 HH Annotated Mild O=C(Cc1ccncc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095668094 HH Annotated Anodyne N#C[C@@H]1[C@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095668186 HH Annotated Mild N#C[C@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095668190 HH Annotated Mild N#C[C@H]1[C@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095668195 HH Annotated Mild N#C[C@H]1[C@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095668199 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2C2=CCCCC2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095668204 HH Annotated Mild N#C[C@@H]1[C@H](c2ccccc2C2=CCCCC2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095668308 HH Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(CCC(F)(F)F)[C@@H]2CNC(=O)C2CCC2)cc1 ZINC000095668423 HH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CCC)[C@H]2CN(CC)C(=O)c2ccccn2)cc1 ZINC000095668577 HH Annotated Anodyne O=C(C1CCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21 ZINC000095668625 HH Annotated Mild OC[C@@H]1Nc2ccc(C#Cc3ccccc3)cc2[C@@H]2[C@H]1CCN2Cc1nccs1 ZINC000095668676 HH Annotated Mild O=C1CC[C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)[C@H]2C1 ZINC000095742960 HH Annotated Anodyne O=C1CC[C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)[C@@H]2C1 ZINC000095742962 HH Annotated Anodyne O=C1CC[C@H]2[C@@H](C1)CN(C(=O)OCC1c3ccccc3-c3ccccc31)[C@H]2C(=O)O ZINC000095743153 HH Annotated Anodyne COc1ccc([C@@H](OC(=O)Nc2ccc(SC)cc2)[C@@H](CCO)OC)cc1O ZINC000095785340 HH Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2CC1CC1 ZINC000095794331 HH Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@H](CO)N2CC1CC1 ZINC000095794332 HH Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2CC1CC1 ZINC000095794333 HH Annotated Anodyne O=C(Cc1ccncc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21 ZINC000095794445 HH Annotated Anodyne COc1ccccc1CN1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1 ZINC000095794530 HH Annotated Anodyne COc1ccccc1CN1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1 ZINC000095794531 HH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CCC(F)(F)F)C23CN(C(=O)CC2CC2)C3)cc1 ZINC000095794589 HH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(CCC(F)(F)F)C23CN(C(=O)CC2CC2)C3)cc1 ZINC000095794593 HH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(CCC(F)(F)F)C23CN(C(=O)CC2CC2)C3)cc1 ZINC000095794597 HH Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F ZINC000095794749 HH Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F ZINC000095794750 HH Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F ZINC000095794752 HH Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F ZINC000095794753 HH Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095794810 HH Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095794811 HH Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F ZINC000095794859 HH Annotated Anodyne N#C[C@@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CCCC1 ZINC000095795552 HH Annotated Mild O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F ZINC000095795577 HH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(C)CC1 ZINC000095795985 HH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(C)CC1 ZINC000095795987 HH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3cccc(F)c3)C23CN(C(=O)CC)C3)cc1 ZINC000095796411 HH Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(Cc3cccc(F)c3)C23CN(C(=O)CC)C3)cc1 ZINC000095796412 HH Annotated Anodyne O=C(NC1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 ZINC000095796493 HH Annotated Anodyne O=C(NC1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 ZINC000095796518 HH Annotated Anodyne O=C(C1CCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@H]21 ZINC000095797436 HH Annotated Mild O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F ZINC000095797562 HH Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N(C(=O)NC3CCCC3)[C@H]2C#N)cc1 ZINC000095797583 HH Annotated Mild COc1ccc(-c2ccccc2[C@@H]2[C@@H](CO)N(C(=O)NC3CCCC3)[C@H]2C#N)cc1 ZINC000095797628 HH Annotated Mild O=C(C1CCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccc(F)cc4)cc3[C@@H]21 ZINC000095797629 HH Annotated Mild COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@H](CO)N3C)cc1 ZINC000095797726 HH Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)N3CCCCCCC3)O[C@H](OCCCCO)C2)cc1 ZINC000095797748 HH Annotated Mild O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F ZINC000095798364 HH Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@@H]2CO)cc1 ZINC000095798453 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CCCC1 ZINC000095798464 HH Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CCCC1 ZINC000095798535 HH Annotated Mild O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc2c(c1)CCO2 ZINC000095808499 HH Annotated Reactive CN(C)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 ZINC000095808863 HH Annotated Reactive O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc([N+](=O)[O-])s1 ZINC000095808880 HH Annotated Reactive O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(Br)o1 ZINC000095808907 HH Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1c(Cl)cc(OC)c(OC)c1Cl ZINC000095809077 HH Annotated Reactive N#C[C@@H]1[C@H](c2ccc(C#CC3CCCC3)cc2)[C@H](CO)N1C(=O)c1cccc(F)c1 ZINC000095864441 HH Annotated Mild COc1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@H]2CO)cc1 ZINC000095864456 HH Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H](CO)N1C(=O)c1cccc(F)c1 ZINC000095864500 HH Annotated Mild O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095864513 HH Annotated Anodyne N#C[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CCCC1 ZINC000095864532 HH Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CCCC1 ZINC000095864549 HH Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(Cl)c1)CC31CN(C)C1 ZINC000095864621 HH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccc(Cl)c1)CC31CN(C)C1 ZINC000095864625 HH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1F)CC31CCN(C)CC1 ZINC000095864761 HH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1F)CC31CCN(C)CC1 ZINC000095864767 HH Annotated Anodyne O=C1CN(Cc2ccccc2)C[C@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 ZINC000095866188 HH Annotated Anodyne O=C1CN(Cc2ccccc2)C[C@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 ZINC000095866223 HH Annotated Anodyne O=C1CN(Cc2ccccc2)C[C@@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 ZINC000095866224 HH Annotated Anodyne O=C1CN(Cc2ccccc2)C[C@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 ZINC000095866225 HH Annotated Anodyne O=C1CN(Cc2ccccc2)C[C@@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 ZINC000095866226 HH Annotated Anodyne O=C1CN(Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H](CO)N12 ZINC000095866227 HH Annotated Anodyne O=C1CN(Cc2ccccc2)C[C@H]2[C@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 ZINC000095866228 HH Annotated Anodyne O=C1CN(Cc2ccccc2)C[C@@H]2[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H](CO)N12 ZINC000095866300 HH Annotated Anodyne O=C(c1ccccc1F)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 ZINC000095866545 HH Annotated Anodyne N#C[C@@H]1[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@H](CO)N1C(=O)c1cccc(F)c1 ZINC000095866602 HH Annotated Mild O=C(C1CCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095866674 HH Annotated Anodyne O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F ZINC000095866721 HH Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@H](CO)N1C(=O)c1cccc(F)c1 ZINC000095866833 HH Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H](CO)N1C(=O)c1cccc(F)c1 ZINC000095866899 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H](CO)N1C(=O)c1cccc(F)c1 ZINC000095867008 HH Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CCN(C)CC1 ZINC000095867544 HH Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CCN(C)CC1 ZINC000095867545 HH Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@H](CO)N3C)cc1 ZINC000095869170 HH Annotated Anodyne O=C(c1ccccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095869199 HH Annotated Anodyne N#C[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CCCC1 ZINC000095869246 HH Annotated Mild O=C(C1CCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095869306 HH Annotated Anodyne COc1ccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@H]2CO)cc1 ZINC000095869364 HH Annotated Mild COc1ccc(-c2ccccc2[C@H]2[C@@H](CO)N(C(=O)NC3CCCC3)[C@H]2C#N)cc1 ZINC000095869440 HH Annotated Mild O=C(c1ccccc1F)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 ZINC000095869450 HH Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CCCC1 ZINC000095869482 HH Annotated Mild N#C[C@H]1[C@H](c2ccccc2-c2ccccc2F)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095871669 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2-c2ccccc2F)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095871685 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2-c2ccccc2F)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095871686 HH Annotated Mild N#C[C@H]1[C@@H](c2ccccc2-c2ccccc2F)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095871687 HH Annotated Mild N#C[C@H]1[C@H](c2ccccc2-c2ccccc2F)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095871689 HH Annotated Mild N#C[C@@H]1[C@H](c2ccccc2-c2ccccc2F)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095871691 HH Annotated Mild N#C[C@H]1[C@@H](c2ccccc2-c2ccccc2F)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095871693 HH Annotated Mild N#C[C@@H]1[C@H](c2ccccc2-c2ccccc2F)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095871694 HH Annotated Mild CCCN1[C@H](CO)[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H]1CNC(=O)C1CC1 ZINC000095871845 HH Annotated Mild CC(=O)NC[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1CCC(F)(F)F ZINC000095871861 HH Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CC2CC2)[C@@H](CO)N3)c1 ZINC000095872026 HH Annotated Mild COc1cccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CC2CC2)[C@H](CO)N3)c1 ZINC000095872047 HH Annotated Mild COc1cccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)CC2CC2)[C@H](CO)N3)c1 ZINC000095872051 HH Annotated Mild CC(C)N1C[C@H](C)[C@@H](CN(C)C(=O)OC(C)(C)C)Oc2c(C#N)cccc2C1=O ZINC000095872314 HH Annotated Mild CC(C)N1C[C@@H](C)[C@H](CN(C)C(=O)OC(C)(C)C)Oc2c(C#N)cccc2C1=O ZINC000095872369 HH Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095873236 HH Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095873237 HH Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095873238 HH Annotated Mild O=C(C1CCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095873239 HH Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095873240 HH Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095873241 HH Annotated Mild O=C(C1CCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095873242 HH Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095873243 HH Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095873259 HH Annotated Anodyne O=C(C1CCCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873260 HH Annotated Anodyne O=C(C1CCCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095873261 HH Annotated Anodyne O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095873262 HH Annotated Anodyne OC[C@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21 ZINC000095873271 HH Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095873272 HH Annotated Mild OC[C@@H]1[C@H](c2ccc(C#CC3CC3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095873273 HH Annotated Mild OC[C@@H]1[C@H](c2ccc(C#CC3CC3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095873274 HH Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095873275 HH Annotated Mild OC[C@H]1[C@H](c2ccc(C#CC3CC3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095873276 HH Annotated Mild OC[C@H]1[C@H](c2ccc(C#CC3CC3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21 ZINC000095873277 HH Annotated Mild OC[C@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095873278 HH Annotated Mild OC[C@@H]1[C@H](c2ccc(-c3ccncc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095873888 HH Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccncc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095873889 HH Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095874217 HH Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874608 HH Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874609 HH Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095874610 HH Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874611 HH Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874612 HH Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095874613 HH Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874614 HH Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@H]3CN(Cc4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095874714 HH Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(Cc4ccncc4)C[C@@H]23)cc1 ZINC000095874715 HH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(Cc4ccncc4)C[C@@H]23)cc1 ZINC000095874716 HH Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4ccncc4)C[C@@H]23)cc1 ZINC000095874717 HH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4ccncc4)C[C@@H]23)cc1 ZINC000095874718 HH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4ccncc4)C[C@H]23)cc1 ZINC000095874719 HH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(Cc4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095874720 HH Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4ccncc4)C[C@H]23)cc1 ZINC000095874721 HH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874826 HH Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095874827 HH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095874828 HH Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874829 HH Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095874830 HH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874831 HH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095874832 HH Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874833 HH Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(Cc4cccnc4)C[C@@H]23)cc1 ZINC000095875447 HH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4cccnc4)C[C@H]23)cc1 ZINC000095875448 HH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)CCCCN3[C@H]2CO)cc1 ZINC000095875449 HH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(Cc4cccnc4)C[C@@H]23)cc1 ZINC000095875450 HH Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4cccnc4)C[C@@H]23)cc1 ZINC000095875451 HH Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4cccnc4)C[C@@H]23)cc1 ZINC000095875452 HH Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(Cc4cccnc4)CCCCN3[C@H]2CO)cc1 ZINC000095875453 HH Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4cccnc4)C[C@H]23)cc1 ZINC000095875454 HH Annotated Mild OC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095875538 HH Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN21 ZINC000095875539 HH Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN21 ZINC000095875540 HH Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095875541 HH Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095875542 HH Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095875543 HH Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095875544 HH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(CC5CC5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095875592 HH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(CC5CC5)C[C@@H]34)cc2)c1 ZINC000095875593 HH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CC5CC5)C[C@@H]34)cc2)c1 ZINC000095875594 HH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CC5CC5)C[C@@H]34)cc2)c1 ZINC000095875595 HH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CC5CC5)C[C@H]34)cc2)c1 ZINC000095875596 HH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CN(CC5CC5)CCCCN4[C@H]3CO)cc2)c1 ZINC000095875597 HH Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CC5CC5)C[C@H]34)cc2)c1 ZINC000095875598 HH Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(CC5CC5)C[C@@H]34)cc2)c1 ZINC000095875599 HH Annotated Anodyne O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095877335 HH Annotated Anodyne O=C(c1cccnc1)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO ZINC000095877336 HH Annotated Anodyne O=C(c1cccnc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 ZINC000095877337 HH Annotated Anodyne O=C(c1cccnc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095877338 HH Annotated Anodyne O=C(C1CCOCC1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO ZINC000095877358 HH Annotated Anodyne O=C(C1CCOCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 ZINC000095877359 HH Annotated Anodyne O=C(C1CCOCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095877360 HH Annotated Anodyne O=C(C1CCOCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095877361 HH Annotated Anodyne CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@H]1CO ZINC000095877374 HH Annotated Clean CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@@H]1CO ZINC000095877520 HH Annotated Anodyne CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@@H]1CO ZINC000095877521 HH Annotated Anodyne O=C(c1ccccn1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO ZINC000095877546 HH Annotated Anodyne O=C(c1ccccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 ZINC000095877547 HH Annotated Anodyne O=C(c1ccccn1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095877548 HH Annotated Anodyne N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@H](CO)N3)cc1 ZINC000095877716 HH Annotated Mild N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@H](CO)N3)cc1 ZINC000095877717 HH Annotated Mild CCCNC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(OC)cc3)ccc1N(C)[C@H]2CO ZINC000095877741 HH Annotated Anodyne COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CC2CC2)[C@H](CO)N3)cc1 ZINC000095877764 HH Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CC2CC2)[C@@H](CO)N3)cc1 ZINC000095877765 HH Annotated Mild CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@H]1CO ZINC000095877780 HH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@@H]1CO ZINC000095877781 HH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@H]1CO ZINC000095877782 HH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@H]1CO ZINC000095877783 HH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@@H]1CO ZINC000095877784 HH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@H]1CO ZINC000095877785 HH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@@H]1CO ZINC000095877786 HH Annotated Anodyne CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)CC2CC2)[C@H]1CO ZINC000095877812 HH Annotated Mild CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)CC2CC2)[C@@H]1CO ZINC000095877813 HH Annotated Mild CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2cccnc2)[C@@H]1CO ZINC000095877833 HH Annotated Anodyne CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@H]1CO ZINC000095877834 HH Annotated Anodyne CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)Cc2cccnc2)[C@H]1CO ZINC000095877835 HH Annotated Anodyne CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@@H]1CO ZINC000095877836 HH Annotated Anodyne O=C(c1ccncc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095877881 HH Annotated Anodyne O=C(c1ccncc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO ZINC000095877882 HH Annotated Anodyne O=C(c1ccncc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 ZINC000095877883 HH Annotated Anodyne O=C(c1ccncc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095877884 HH Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@H]1CO ZINC000095877969 HH Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)c2ccccn2)[C@@H]1CO ZINC000095877970 HH Annotated Anodyne O=C(c1ccccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095877988 HH Annotated Anodyne O=C(c1ccccn1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095877990 HH Annotated Anodyne O=C(c1ccccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 ZINC000095877992 HH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@H]1CO ZINC000095878027 HH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccccn2)[C@@H]1CO ZINC000095878030 HH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccn2)[C@H](CO)N3)c1 ZINC000095878062 HH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@@H](CO)N3)c1 ZINC000095878064 HH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@H](CO)N3)c1 ZINC000095878066 HH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccn2)[C@@H](CO)N3)c1 ZINC000095878068 HH Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)NC(C)C)[C@H](CO)N3C)cc1 ZINC000095878099 HH Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@@H]1CO ZINC000095878208 HH Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@H]1CO ZINC000095878209 HH Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@H]1CO ZINC000095878210 HH Annotated Anodyne O=C(c1cccnc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO ZINC000095878260 HH Annotated Anodyne O=C(c1cccnc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21 ZINC000095878261 HH Annotated Anodyne O=C(c1cccnc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095878262 HH Annotated Anodyne O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21 ZINC000095878263 HH Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@@H](CO)N3)c1 ZINC000095878295 HH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@H](CO)N3)c1 ZINC000095878296 HH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccncc2)[C@@H](CO)N3)c1 ZINC000095878297 HH Annotated Mild N#Cc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@H](CO)N3)c1 ZINC000095878298 HH Annotated Mild O=C(Cc1ccncc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 ZINC000095878353 HH Annotated Anodyne CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@@H]1CO ZINC000095878362 HH Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@H]1CO ZINC000095878363 HH Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@@H]1CO ZINC000095878364 HH Annotated Mild O=C(c1ccccn1)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO ZINC000095878379 HH Annotated Anodyne O=C(c1ccccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095878380 HH Annotated Anodyne O=C(c1ccccn1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095878381 HH Annotated Anodyne O=C(c1ccccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 ZINC000095878382 HH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CC2CC2)[C@H](CO)N3C)c1 ZINC000095878397 HH Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)CC2CC2)[C@H](CO)N3C)c1 ZINC000095878398 HH Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@H]1CO ZINC000095878451 HH Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)[C@@H]1CO ZINC000095878452 HH Annotated Anodyne N#Cc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)Cc2ccncc2)[C@@H](CO)N3)cc1 ZINC000095878537 HH Annotated Mild CN1c2ccc(C3=CCCCC3)cc2[C@H]2[C@H](CCN2C(=O)Cc2ccccn2)[C@@H]1CO ZINC000095878555 HH Annotated Clean CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2ccccn2)[C@H]1CO ZINC000095878556 HH Annotated Clean CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)c2cccnc2)[C@@H]1CO ZINC000095878557 HH Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccnc2)[C@H]1CO ZINC000095878558 HH Annotated Anodyne N#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cccnc2)[C@@H](CO)N3)cc1 ZINC000095878631 HH Annotated Mild O=C(C1CCOCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 ZINC000095878636 HH Annotated Anodyne O=C(C1CCOCC1)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO ZINC000095878637 HH Annotated Anodyne O=C(C1CCOCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095878638 HH Annotated Anodyne O=C(C1CCOCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095878639 HH Annotated Anodyne O=C(Cc1ccncc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095878643 HH Annotated Anodyne O=C(Cc1ccncc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 ZINC000095878644 HH Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878707 HH Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878708 HH Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@H]1CO ZINC000095878709 HH Annotated Anodyne COc1cccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)CC2CC2)[C@@H](CO)N3)c1 ZINC000095878720 HH Annotated Mild CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H]1CO ZINC000095878733 HH Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@@H]1CO ZINC000095878734 HH Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@H]1CO ZINC000095878735 HH Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@H]1CO ZINC000095878736 HH Annotated Anodyne O=C(c1ccccc1F)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095878767 HH Annotated Anodyne O=C(c1ccccc1F)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO ZINC000095878768 HH Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@H]1CO ZINC000095878782 HH Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@@H]1CO ZINC000095878783 HH Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@@H]1CO ZINC000095878784 HH Annotated Anodyne O=C(Cc1ccccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095878793 HH Annotated Anodyne O=C(Cc1ccccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 ZINC000095878794 HH Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2cncnc2)[C@H](CO)N3)cc1 ZINC000095878806 HH Annotated Anodyne O=C(C1CCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095878814 HH Annotated Mild O=C(C1CCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@H]21 ZINC000095878815 HH Annotated Mild O=C(C1CCC1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccc(F)c3)ccc1N[C@H]2CO ZINC000095878816 HH Annotated Mild O=C(C1CCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4cccc(F)c4)cc3[C@@H]21 ZINC000095878817 HH Annotated Mild OC[C@@H]1Nc2ccc(C#Cc3ccccc3)cc2[C@H]2[C@@H]1CCN2Cc1nccs1 ZINC000095878826 HH Annotated Mild OC[C@H]1Nc2ccc(C#Cc3ccccc3)cc2[C@@H]2[C@H]1CCN2Cc1nccs1 ZINC000095878827 HH Annotated Mild O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095893317 HH Annotated Anodyne O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095893318 HH Annotated Anodyne O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095893319 HH Annotated Anodyne O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095893320 HH Annotated Anodyne O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095893335 HH Annotated Anodyne O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095893336 HH Annotated Anodyne O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095893337 HH Annotated Anodyne COc1ccccc1CN1[C@@H]2CN(C(=O)C3CCCC3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893427 HH Annotated Anodyne COc1ccccc1CN1[C@H](CO)[C@H]2c3ccccc3N(C(=O)C3CCCC3)C[C@H]21 ZINC000095893428 HH Annotated Anodyne COc1ccccc1CN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCCC3)C[C@@H]21 ZINC000095893429 HH Annotated Anodyne COc1ccccc1CN1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCCC3)C[C@@H]21 ZINC000095893430 HH Annotated Anodyne O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095893467 HH Annotated Anodyne O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095893468 HH Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095893469 HH Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F ZINC000095893685 HH Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F ZINC000095893686 HH Annotated Anodyne O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F ZINC000095893687 HH Annotated Anodyne O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F ZINC000095893688 HH Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095893772 HH Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095893773 HH Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095893774 HH Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095893775 HH Annotated Anodyne O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F ZINC000095894362 HH Annotated Anodyne O=C(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1cc(F)ccc1F ZINC000095894363 HH Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F ZINC000095894364 HH Annotated Anodyne O=C(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cc(F)ccc1F ZINC000095894365 HH Annotated Anodyne O=C(C1CCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095894463 HH Annotated Anodyne O=C(C1CCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095894464 HH Annotated Anodyne O=C(C1CCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095894465 HH Annotated Anodyne O=C(C1CCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095894466 HH Annotated Anodyne COc1ccccc1CN1[C@H](CO)[C@H]2c3ccccc3N(C(=O)C3CCCCC3)C[C@H]21 ZINC000095894762 HH Annotated Anodyne COc1ccccc1CN1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCCCC3)C[C@@H]21 ZINC000095894763 HH Annotated Anodyne COc1ccccc1CN1[C@@H]2CN(C(=O)C3CCCCC3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894764 HH Annotated Anodyne COc1ccccc1CN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCCCC3)C[C@@H]21 ZINC000095894765 HH Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](C#N)N(C(=O)NC4CCCC4)[C@H]3CO)cc2)cc1 ZINC000095896009 HH Annotated Mild COc1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)NC4CCCC4)[C@@H]3CO)cc2)cc1 ZINC000095896010 HH Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)NC4CCCC4)[C@H]3C#N)cc2)cc1 ZINC000095896011 HH Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@H](C#N)N(C(=O)NC4CCCC4)[C@H]3CO)cc2)cc1 ZINC000095896012 HH Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)NC4CCCC4)[C@H]3CO)cc2)cc1 ZINC000095896013 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)C1CCCC1 ZINC000095896081 HH Annotated Mild N#C[C@H]1[C@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)C1CCCC1 ZINC000095896082 HH Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@@H](CO)N1C(=O)C1CCCC1 ZINC000095896083 HH Annotated Mild N#C[C@H]1[C@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@@H](CO)N1C(=O)C1CCCC1 ZINC000095896084 HH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@@H](C#N)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO ZINC000095897480 HH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1CO ZINC000095897481 HH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO ZINC000095897482 HH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO ZINC000095897483 HH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C#N ZINC000095897484 HH Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1CO ZINC000095897485 HH Annotated Mild COc1cccc(-c2ccc([C@H]3[C@H](C#N)N(C(=O)Cc4ccccc4)[C@H]3CO)cc2)c1 ZINC000095897511 HH Annotated Mild COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)Cc4ccccc4)[C@H]3C#N)cc2)c1 ZINC000095897512 HH Annotated Mild COc1cccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)Cc4ccccc4)[C@@H]3CO)cc2)c1 ZINC000095897513 HH Annotated Mild COc1cccc(-c2ccc([C@@H]3[C@H](C#N)N(C(=O)Cc4ccccc4)[C@H]3CO)cc2)c1 ZINC000095897514 HH Annotated Mild COc1cccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)Cc4ccccc4)[C@@H]3CO)cc2)c1 ZINC000095897515 HH Annotated Mild N#C[C@H]1[C@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@H](CO)N1C(=O)C1CCCC1 ZINC000095897520 HH Annotated Mild N#C[C@H]1[C@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)C1CCCC1 ZINC000095897521 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@H](CO)N1C(=O)C1CCCC1 ZINC000095897522 HH Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@H](CO)N1C(=O)C1CCCC1 ZINC000095897523 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)C1CCCC1 ZINC000095897524 HH Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)C1CCCC1 ZINC000095897525 HH Annotated Mild N#C[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095897594 HH Annotated Mild N#C[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095897595 HH Annotated Mild N#C[C@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095897596 HH Annotated Mild N#C[C@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095897597 HH Annotated Mild N#C[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095897598 HH Annotated Mild N#C[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095897599 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095897600 HH Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)c4cccc(F)c4)[C@H]3CO)cc2)cc1 ZINC000095897630 HH Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@H](C#N)N(C(=O)c4cccc(F)c4)[C@H]3CO)cc2)cc1 ZINC000095897631 HH Annotated Mild COc1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)c4cccc(F)c4)[C@H]3CO)cc2)cc1 ZINC000095897632 HH Annotated Mild COc1ccc(-c2ccc([C@H]3[C@H](C#N)N(C(=O)c4cccc(F)c4)[C@H]3CO)cc2)cc1 ZINC000095897633 HH Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)c4cccc(F)c4)[C@H]3C#N)cc2)cc1 ZINC000095897634 HH Annotated Mild COc1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)c4cccc(F)c4)[C@@H]3CO)cc2)cc1 ZINC000095897635 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095897736 HH Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CCCCC1 ZINC000095897748 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CCCCC1 ZINC000095897749 HH Annotated Mild N#C[C@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H](CO)N1C(=O)Cc1ccccn1 ZINC000095897795 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H](CO)N1C(=O)Cc1ccccn1 ZINC000095897796 HH Annotated Mild COc1ccccc1-c1ccc([C@@H]2[C@@H](C#N)N(C(=O)c3cccc(F)c3)[C@@H]2CO)cc1 ZINC000095897860 HH Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N(C(=O)c3cccc(F)c3)[C@H]2C#N)cc1 ZINC000095897861 HH Annotated Mild N#C[C@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095898027 HH Annotated Mild N#C[C@@H]1[C@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095898028 HH Annotated Mild N#C[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095898029 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@H](CO)N1C(=O)Cc1ccccc1 ZINC000095898030 HH Annotated Mild N#C[C@H]1[C@@H](c2ccc(-c3ccccc3F)cc2)[C@@H](CO)N1C(=O)Cc1ccccc1 ZINC000095898031 HH Annotated Mild N#C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095898047 HH Annotated Mild N#C[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095898048 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095898049 HH Annotated Mild N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095898222 HH Annotated Mild N#C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095898223 HH Annotated Mild N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095898224 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095898225 HH Annotated Mild N#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095898226 HH Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095898227 HH Annotated Mild N#C[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095898228 HH Annotated Mild O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1cccc(Cl)c1 ZINC000095898416 HH Annotated Anodyne O=C1N[C@@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccc(Cl)cc1 ZINC000095898418 HH Annotated Anodyne COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)[C@@H]1C[C@H](C(C)=O)[C@]2(C)O ZINC000095909196 HH Annotated Anodyne in-vitro biogenic C/C1=C/CC2=C(C(C)C)CC(=O)O[C@@]2(C)CC/C(C)=C2/OC(=O)[C@H]3[C@@H]2[C@H]1O[C@@]3(C)O ZINC000095909689 HH Annotated Anodyne in-vitro biogenic C=C1COC(=O)[C@@]12C[C@]1(C)[C@@H]([C@@H](OC(=O)C(C)C)CC[C@H]1C)[C@@H]2OC(=O)C(C)C ZINC000095909721 HH Annotated Mild in-vitro biogenic C=C1c2ccoc2C[C@@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C ZINC000095909955 HH Annotated Mild in-vitro biogenic C=C1c2ccoc2C[C@@H]2[C@H]1C[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C ZINC000095909956 HH Annotated Mild in-vitro biogenic C=C1c2ccoc2C[C@@H]2[C@H]1CC[C@@]1(O)C(C)(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]21C ZINC000095909959 HH Annotated Mild in-vitro biogenic C[C@H]1C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@@H](C(C)(C)O)C4)O1 ZINC000095912540 HH Annotated Anodyne in-vitro biogenic COc1cc(C(=O)O[C@H]2CC(C)=CC(=O)[C@]3(C)CC[C@](O)(C(C)C)[C@H]23)ccc1O ZINC000095912729 HH Annotated Mild in-vitro biogenic CC(=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1(C)C[C@@H]3O ZINC000095913341 HH Annotated Anodyne CC[C@H](OC)[C@@H]1CCC[C@H]2[C@@H]3C(=CCC[N+]12[O-])O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C ZINC000095913569 HH Annotated Bother in-vitro biogenic COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)[N+](C)(C)CC3 ZINC000095913693 HH Annotated Bother in-vitro biogenic COC/C(=C\C(C)(C)O)C/C(C)=C/COc1c(OC)cc(/C=C/CO)cc1OC ZINC000095913823 HH Annotated Anodyne in-vitro biogenic COC/C(=C\C(C)=C\COc1c(OC)cc(/C=C/CO)cc1OC)CC(C)(C)O ZINC000095913824 HH Annotated Anodyne in-vitro biogenic COC[C@@H]1Cc2cc(OC)c(OC)cc2[C@@H](c2ccc(OC)c(OC)c2)[C@H]1COC ZINC000095914357 HH Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@](C)(O)[C@@H](C)C2 ZINC000095915076 HH Annotated Anodyne in-vitro biogenic COc1cc(C(=O)O[C@@H]2C[C@@]3(C)O[C@H]3C[C@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)ccc1O ZINC000095919328 HH Annotated Anodyne in-vitro biogenic C/C(=N\Nc1ncc[nH]1)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000095920526 HH Annotated Anodyne in-vitro CN(C[C@H](O)C(F)(F)F)C(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000095993485 HH Annotated Anodyne CN(C[C@@H](O)C(F)(F)F)C(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000095993486 HH Annotated Anodyne CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(Cc3ccc(N(C)C)cc3)C2)O1 ZINC000096018793 HH Annotated Anodyne CC(C)(C)N1Cc2nnn(CC3CCCCC3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019909 HH Annotated Anodyne Cc1ccc(Cn2nnc3c2-c2cc(F)ccc2S(=O)(=O)N(C(C)(C)C)C3)cc1 ZINC000096019911 HH Annotated Anodyne COc1ccc(/C=C/S(=O)(=O)NC2CCCC2)c(CNC(=O)OC(C)(C)C)c1 ZINC000096020279 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccccc1/C=C/S(=O)(=O)NCCc1ccccc1 ZINC000096020294 HH Annotated Anodyne CC(C)(C)OC(=O)NCc1ccccc1/C=C/S(=O)(=O)NCc1ccc(F)cc1 ZINC000096020295 HH Annotated Anodyne CCCC(=O)OC[C@H]1CN([C@H](C)c2ccccc2)S(=O)(=O)c2c(F)cccc2O1 ZINC000096021257 HH Annotated Anodyne CCOC(=O)[C@@H](C)N1[C@@H](C)[C@H](c2ccccc2)Oc2ccc(Cl)cc2S1(=O)=O ZINC000096021297 HH Annotated Anodyne CO[C@@]12C=C3C(=O)c4c(O)cccc4O[C@@]34[C@@H](C1)C(C)(C)O[C@@]4(CC=C(C)C)C2=O ZINC000096085378 HH Annotated Mild in-vitro C=CC(C)(C)c1[nH]c2c3c(ccc2c1/C=C1\NC(=O)[C@H](C)NC1=O)OC(C)(C)C=C3 ZINC000096086104 HH Annotated Mild CCOC(=O)C1=C(C)/C(=C2/CSC(Nc3ccc(OCC)cc3)=NN2)N=C1C ZINC000096129934 HH Annotated Anodyne O=C(N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1)c1ccccc1F ZINC000096168543 HH Annotated Anodyne COC(=O)c1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cc1 ZINC000096168835 HH Annotated Anodyne CC(=O)N1CCC(c2cc(F)cnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 ZINC000096168868 HH Annotated Anodyne O=C(c1cc(Cl)ccn1)N1CCC(Oc2ncccc2C2CCOCC2)CC1 ZINC000096168914 HH Annotated Anodyne O=C(c1nccc2ccccc12)N1CCC(Oc2nccnc2C2CCOCC2)CC1 ZINC000096168934 HH Annotated Anodyne CC(=O)N1CC=C(c2cccnc2OC2CN(c3nc4ccccc4s3)C2)CC1 ZINC000096168998 HH Annotated Anodyne CC(=O)N1CC=C(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 ZINC000096168999 HH Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)CC[C@H]2C1 ZINC000096169498 HH Annotated Anodyne CC(C)(C)CC(=O)N1C[C@H]2CCN(c3ccc(OCC(F)(F)F)cc3)C(=O)[C@H]2C1 ZINC000096169518 HH Annotated Anodyne O=C1[C@H]2CN(c3ccccc3O)C[C@H]2CCN1c1ccc(OCC(F)(F)F)cc1 ZINC000096169525 HH Annotated Anodyne O=C1[C@H]2C[C@](O)(COc3ccccc3)C[C@H]2CN1c1ccc(OC(F)(F)F)cc1 ZINC000096169532 HH Annotated Anodyne Cn1ncc2c(-c3cccn4nc(Nc5ccc6c(c5)CCNCC6)nc34)cccc21 ZINC000096169803 HH Annotated Anodyne Cc1cc(C)nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000096172450 HH Annotated Anodyne Cc1cc(C)nc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000096172451 HH Annotated Anodyne Cc1ccnc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)c1 ZINC000096172452 HH Annotated Anodyne Cc1ccnc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)c1 ZINC000096172453 HH Annotated Anodyne C[C@H](CC(=O)C1CC1)c1ccc(OC2CN(c3ncc(Br)cn3)C2)cc1 ZINC000096172916 HH Annotated Anodyne CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000096172960 HH Annotated Anodyne CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000096172961 HH Annotated Anodyne COc1cc(-c2cnc(N3CC(Oc4ccc([C@H](C)CC(C)=O)cc4)C3)nc2)ccn1 ZINC000096172966 HH Annotated Anodyne C[C@H](CC(=O)c1cn[nH]c1)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 ZINC000096172976 HH Annotated Anodyne CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)[C@H]4CNC(=O)C4)cc3)C2)cc1 ZINC000096173009 HH Annotated Clean CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)[C@@H]4CNC(=O)C4)cc3)C2)cc1 ZINC000096173010 HH Annotated Clean CS(=O)(=O)OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 ZINC000096173994 HH Annotated Mild c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCOCC4)cc3)nnc1-2 ZINC000096174016 HH Annotated Anodyne O=C(N[C@@H]1Cc2ccc(CNCCC3CC3)cc2C1)c1ccc(OCC2CC2)cn1 ZINC000096174233 HH Annotated Anodyne CC1(CNCc2ccc3c(c2)C[C@H](NC(=O)c2ccc(OCC4CC4)cn2)C3)CC1 ZINC000096174235 HH Annotated Anodyne CN1CCC[C@@H]1c1ccc2c(c1)C[C@H](N(C)C(=O)c1ccc(OCC3CC3)cn1)C2 ZINC000096174242 HH Annotated Anodyne CN1CCC[C@H]1c1ccc2c(c1)C[C@H](N(C)C(=O)c1ccc(OCC3CC3)cn1)C2 ZINC000096174243 HH Annotated Anodyne CN1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4cc[nH]c(=O)c34)cc2)CC1 ZINC000096174447 HH Annotated Anodyne CS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C3CC3)nc2-c2ccncn2)c1Cl ZINC000096174600 HH Annotated Anodyne O=C(Nc1nc2cccc(-c3ccc(CN4CCC(F)(F)CC4)cc3)n2n1)C1CC1 ZINC000096174625 HH Annotated Anodyne CN1CCN(C2=NC(=O)/C(=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)S2)CC1 ZINC000096174685 HH Annotated Clean CN(C)C(=O)[C@H]1CCC[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)C1 ZINC000096175012 HH Annotated Anodyne CN(C)C(=O)[C@H]1CCC[C@@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)C1 ZINC000096175013 HH Annotated Anodyne F[C@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12 ZINC000096175050 HH Annotated Anodyne F[C@H]1CNCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12 ZINC000096175051 HH Annotated Anodyne F[C@@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12 ZINC000096175052 HH Annotated Anodyne F[C@@H]1CNCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12 ZINC000096175053 HH Annotated Anodyne [C-]#[N+]c1ccc2nnc(-c3ccc4cccc(O[C@@H]5CCNCC[C@@H]5F)c4n3)n2c1 ZINC000096175087 HH Annotated Anodyne [C-]#[N+]c1ccc2nnc(-c3ccc4cccc(O[C@H]5CCNCC[C@@H]5F)c4n3)n2c1 ZINC000096175088 HH Annotated Anodyne [C-]#[N+]c1ccc2nnc(-c3ccc4cccc(O[C@@H]5CCNCC[C@H]5F)c4n3)n2c1 ZINC000096175089 HH Annotated Anodyne [C-]#[N+]c1ccc2nnc(-c3ccc4cccc(O[C@H]5CCNCC[C@H]5F)c4n3)n2c1 ZINC000096175090 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cc(F)c5[nH]ccc5c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000096175272 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cc(F)c5[nH]ccc5c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000096175273 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5cc[nH]n5)c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000096175274 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(-c5cc[nH]n5)c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000096175275 HH Annotated Anodyne COc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175313 HH Annotated Anodyne COc1cc(S(=O)(=O)c2ccc3[nH]ccc3c2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175314 HH Annotated Anodyne COc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175352 HH Annotated Anodyne COc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175353 HH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175356 HH Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175357 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(-n5cccn5)c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000096175376 HH Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(-n5cccn5)c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000096175377 HH Annotated Anodyne FC1(F)C[C@H]1Cn1cnc2ccc(C3=NCc4ccnc(OC5CCOCC5)c43)cc21 ZINC000096176018 HH Annotated Anodyne FC1(F)C[C@@H]1Cn1cnc2ccc(C3=NCc4ccnc(OC5CCOCC5)c43)cc21 ZINC000096176019 HH Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(N(C)C)cc1 ZINC000096176959 HH Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1cccc[n+]1[O-])N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096177066 HH Annotated Anodyne N[C@@H]1C[C@H](c2ccncc2CC(=O)c2cccc(-c3c(F)cccc3F)n2)CC[C@@H]1O ZINC000096177719 HH Annotated Anodyne N[C@@H]1C[C@H](c2ccncc2CC(=O)c2cccc(-c3ccccc3F)n2)CC[C@@H]1O ZINC000096177724 HH Annotated Anodyne N[C@@H]1C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3ccccc3F)n2)CC[C@@H]1O ZINC000096177728 HH Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2nc(C3CCCCC3)ccc2N)C[C@@H](N)[C@@H]1O ZINC000096177731 HH Annotated Anodyne Nc1cc(F)c(-c2ccncc2F)nc1C(=O)Cc1cnccc1[C@@H]1CCC[C@H](N)C1 ZINC000096177781 HH Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cnn(CC4CCCC4)c3C2)CO[C@@H]1c1cc(F)c(F)cc1F ZINC000096177957 HH Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cnn(CC4CCCC4)c3C2)CO[C@H]1c1cc(F)c(F)cc1F ZINC000096177958 HH Annotated Anodyne CCc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnc2cc(C)cnn12 ZINC000096177977 HH Annotated Anodyne CCc1sc(C(=O)N[C@H]2[C@H](N)CCCC2(F)F)cc1-c1cnc2cc(C)cnn12 ZINC000096177978 HH Annotated Anodyne COc1c(CC(=O)O)c(C)nn1-c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000096270538 HH Annotated Anodyne C[C@@H](C(=O)NCCC1CCCCCCC1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000096271323 HH Annotated Anodyne C[C@H](C(=O)NCCC1CCCCCCC1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000096271324 HH Annotated Anodyne Brc1ccccc1CSc1nnc(Cn2nnc3ccccc32)o1 ZINC000096271752 HH Annotated Anodyne COc1ccc(C(=O)Nc2cc(Br)cc3c(=O)cc(C(=O)O)oc23)cc1 ZINC000096271882 HH Annotated Anodyne CC(C)[C@@H](NC(=O)C1CCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000096272235 HH Annotated Anodyne CCS(=O)(=O)Nc1cccc(-c2cc(=O)n(-c3ccc(F)c(Cl)c3)nc2C)c1 ZINC000096272405 HH Annotated Anodyne CCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(c23)C1=O ZINC000096273415 HH Annotated Anodyne COc1ccc(-c2csc(-c3ccc(C(=O)NS(C)(=O)=O)cc3)c2)cc1OC ZINC000096282716 HH Annotated Anodyne COc1ccc(-c2csc(-c3cccc(C(=O)NS(C)(=O)=O)c3)c2)cc1OC ZINC000096282717 HH Annotated Anodyne COc1ccc(-c2nc(CSc3nc(N)cc(N)n3)cs2)cc1OCCCF ZINC000096283873 HH Annotated Anodyne CCOc1ccc(-c2nc(CSc3nc(N)cc(N)n3)cs2)cc1OCCF ZINC000096283875 HH Annotated Anodyne CC1(C)c2cnc(C3CC3)nc2CN1[C@H]1CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1 ZINC000096284071 HH Annotated Anodyne CC1(C)c2nc(C3CC3)ncc2CN1[C@H]1CO[C@H](c2cc(F)ccc2F)[C@@H](N)C1 ZINC000096284074 HH Annotated Anodyne Cc1cccc(C[n+]2cccc([C@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c2)c1 ZINC000096284122 HH Annotated Reactive Cc1cccc(C[n+]2cccc([C@@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c2)c1 ZINC000096284123 HH Annotated Reactive Cc1cccc(C[n+]2ccc([C@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)c1 ZINC000096284140 HH Annotated Reactive Cc1cccc(C[n+]2ccc([C@@H]3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)c1 ZINC000096284141 HH Annotated Reactive Cc1ccccc1C[n+]1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 ZINC000096284144 HH Annotated Reactive Cc1ccccc1C[n+]1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 ZINC000096284145 HH Annotated Reactive N#Cc1cc(NC(=O)Nc2nnc(-c3ccncc3)s2)ccc1Br ZINC000096284276 HH Annotated Mild N#Cc1ccc(NC(=O)Nc2nnc(-c3ccncc3)s2)cc1Br ZINC000096284277 HH Annotated Mild O=C(Nc1cc(-c2ccncc2)no1)[C@H](Cc1ccccc1)NCc1cncs1 ZINC000096284448 HH Annotated Anodyne Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3cnn(C)c3)cc1)C2=O ZINC000096286164 HH Annotated Anodyne Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(-c3cncnc3)cc1)C2=O ZINC000096286165 HH Annotated Anodyne O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000096336106 HH Annotated Mild O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000096336107 HH Annotated Mild COc1c(-c2nc3c(sc4nc(C)cc(C)c43)c(=O)[nH]2)cc2c(c1OC)OCO2 ZINC000096336500 HH Annotated Anodyne Cc1ccc(-c2nc3sc([C@@H](c4ccccc4)N4CCOCC4)c(O)n3n2)cc1 ZINC000096336798 HH Annotated Anodyne Cc1ccc(-c2nc3sc([C@H](c4ccccc4)N4CCOCC4)c(O)n3n2)cc1 ZINC000096336799 HH Annotated Anodyne CCn1c(=O)n([C@@H]2CCN(C[C@H]3[C@H]4CC[C@H](C4)C3(C)C)C[C@H]2CO)c2ccccc21 ZINC000096900449 HH Annotated Anodyne CN1[C@H](C(=O)NCCc2cccs2)C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]21 ZINC000096901167 HH Annotated Anodyne CS(=O)(=O)c1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1 ZINC000096903447 HH Annotated Anodyne CO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000096903460 HH Annotated Mild COc1cc(OC)c2c(c1)O[C@@]1(c3ccccc3)[C@H](c3ccccc3)C[C@@H](O)[C@@]21O ZINC000096903756 HH Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccc(Br)o3)ccc12 ZINC000096905945 HH Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccc(Br)o3)ccc12 ZINC000096905946 HH Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2c3c[nH]nc3C[C@@H]1c1cccc(F)c12 ZINC000096906453 HH Annotated Anodyne COc1ccc(Cn2cc(C(=O)N3CCCCC3)c(=O)c3c(F)ccc(F)c32)cc1 ZINC000096906818 HH Annotated Anodyne N#Cc1c(-c2ccc(S(N)(=O)=O)cn2)n(C2CCC2)c2cc(OC(F)F)ccc12 ZINC000096907033 HH Annotated Mild N#Cc1c(-c2ccc(S(N)(=O)=O)cc2)n(CC2CC2)c2cc(OC(F)F)ccc12 ZINC000096907042 HH Annotated Mild O=C(c1cc(NCc2nccs2)c(O)c(NCc2nccs2)c1)N1CCCC1 ZINC000096908148 HH Annotated Anodyne COc1ccc(NS(=O)(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000096908612 HH Annotated Bother COc1ccc(/C=C/S(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000096908614 HH Annotated Bother CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OC)c(OC)cc21 ZINC000096908681 HH Annotated Mild N#CCCN1Cc2c(cc3ccc4c(c3c2-c2ccc3c(c2)OCO3)OCO4)C1=O ZINC000096909327 HH Annotated Mild CC(=O)OCc1cc2ccc3c(c2c(-c2ccc(O)c(O)c2)c1COC(C)=O)OCO3 ZINC000096909445 HH Annotated Clean COc1ccc(-c2c(CO)c(COC(C)=O)cc3ccc4c(c23)OCO4)cc1OC ZINC000096909759 HH Annotated Anodyne O=c1nc(-c2ccccc2)c2oc3ccc(Cl)cc3c2n1CCN1CCOCC1 ZINC000096909995 HH Annotated Anodyne COCCn1c(=O)nc(-c2ccc(COCCN(C)C)cc2)c2oc3ccccc3c21 ZINC000096910009 HH Annotated Anodyne Cn1c(/C=C/C(=O)c2cc(O)ccc2O)cc(Br)c1Br ZINC000096910050 HH Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2ccccn2)cc(Cl)c1O ZINC000096913604 HH Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccnc2)cc(Cl)c1O ZINC000096913606 HH Annotated Mild COc1cccc(-c2ccc(-n3c(Cl)cc4[nH]c(=O)c(C#N)c(O)c43)cc2)c1O ZINC000096913625 HH Annotated Mild CC(=O)Nc1nc(C)c(-c2nn(CNc3ccccc3[N+](=O)[O-])c(=S)o2)s1 ZINC000096914070 HH Annotated Bother CC(=O)Nc1nc(C)c(-c2nn(CNc3cccc([N+](=O)[O-])c3)c(=S)o2)s1 ZINC000096914071 HH Annotated Bother O=C(Cc1ccc(Br)cc1)OCCOC1=C(c2ccccc2)C(=O)OC1 ZINC000096914296 HH Annotated Anodyne Cc1cc(C)cc(Cn2c(=O)cc(N3CCCCC3)n(Cc3ccccc3)c2=O)c1 ZINC000096915005 HH Annotated Anodyne CCOC(=O)Oc1cc(OC)ccc1C(=O)c1ccc(=O)n(-c2ccccc2C)c1 ZINC000096915044 HH Annotated Anodyne NC(=O)c1cccn2cc(-c3cccc(-c4cncc(OC[C@H]5CCCO5)c4)c3)nc12 ZINC000096916049 HH Annotated Anodyne O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1cccc2c1oc1ccccc12 ZINC000096917661 HH Annotated Anodyne O=C(c1ccccc1)c1[nH]c2nc[nH]c(=O)c2c1-c1cc(Br)cs1 ZINC000096921750 HH Annotated Anodyne COc1ccc(Cc2nc(-c3ccc(OCCCCN(C)C)cc3)c[nH]c2=O)cc1 ZINC000096921944 HH Annotated Anodyne CN(C)CCCOc1ccc(-c2c[nH]c(=O)c(Cc3c[nH]c4ccccc34)n2)cc1 ZINC000096921945 HH Annotated Anodyne COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OC(C)=O)c(OC)c2)cc1OC ZINC000096922512 HH Annotated Anodyne O=C(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000096922647 HH Annotated Bother O=C(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000096922650 HH Annotated Bother O=C(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000096922655 HH Annotated Bother O=c1cc(CCl)oc(CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1O ZINC000096922719 HH Annotated Reactive O=c1cc(CCl)oc(CN2CCN(Cc3c(Cl)cccc3Cl)CC2)c1O ZINC000096922720 HH Annotated Reactive COC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2cccc(C)c2)c1C(=O)OC ZINC000096923786 HH Annotated Anodyne Cc1cc(/C=C/C(=O)c2ccc(O[C@@H](C)C(=O)O)cc2)cc2cc(C(=O)O)c(=O)oc12 ZINC000096924062 HH Annotated Mild Cc1cc(/C=C/C(=O)c2ccc(O[C@H](C)C(=O)O)cc2)cc2cc(C(=O)O)c(=O)oc12 ZINC000096924063 HH Annotated Mild O=[N+]([O-])c1cncn1CCN(CCBr)Cc1ccc(Cl)c(Cl)c1 ZINC000096926836 HH Annotated Reactive O=[N+]([O-])c1cn(CCN(CCBr)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000096926853 HH Annotated Reactive COC(=O)C1=C(C(=O)OC)N(c2ccc(Cl)cc2)CN(c2ccc(Cl)cc2)C1 ZINC000096927604 HH Annotated Anodyne COc1ccc(SCCNCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 ZINC000096928017 HH Annotated Anodyne CCOc1ccc(Br)cc1/C=c1\sc2nc3ccccc3n2c1=O ZINC000096928400 HH Annotated Anodyne O=C(O)CCCn1c2c(sc3ccccc32)c(=O)n2nnc(-c3ccccc3)c12 ZINC000096928507 HH Annotated Bother COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(OCCN(C)C)cc1 ZINC000096932199 HH Annotated Anodyne COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1ccc(OCCN(C)C)cc1 ZINC000096932201 HH Annotated Anodyne COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(OCCN(C)C)cc1 ZINC000096932203 HH Annotated Anodyne COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@H]1c1ccc(OCCN(C)C)cc1 ZINC000096932205 HH Annotated Anodyne COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(O[C@@H](C)CN(C)C)cc1 ZINC000096932207 HH Annotated Anodyne COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(O[C@H](C)CN(C)C)cc1 ZINC000096932209 HH Annotated Anodyne COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1ccc(O[C@@H](C)CN(C)C)cc1 ZINC000096932211 HH Annotated Anodyne COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1ccc(O[C@H](C)CN(C)C)cc1 ZINC000096932213 HH Annotated Anodyne C=CCNC(=S)N1CCc2c(c(-c3ccccc3)nn2C(=O)c2ccccc2)C1 ZINC000096932278 HH Annotated Mild O=C(C(=O)c1ccc(Cl)cc1Cl)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000096932343 HH Annotated Clean COc1cc(Cn2cc(C(=O)C(=O)c3ccc(Cl)cc3Cl)nn2)cc(OC)c1 ZINC000096932344 HH Annotated Clean CC1=C(C(=O)N2CCN(C)CC2)[C@H](c2ccccc2)N2C(=N1)Sc1ccccc12 ZINC000096932860 HH Annotated Anodyne CC1=C(C(=O)N2CCN(C)CC2)[C@@H](c2ccccc2)N2C(=N1)Sc1ccccc12 ZINC000096932861 HH Annotated Anodyne COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(C(F)(F)F)nn12 ZINC000096933415 HH Annotated Anodyne COc1ccc([C@@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@@H](c2ccccc2)O4)cc1OC ZINC000096934041 HH Annotated Reactive COc1ccc([C@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@@H](c2ccccc2)O4)cc1OC ZINC000096934042 HH Annotated Reactive COc1ccc([C@@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@H](c2ccccc2)O4)cc1OC ZINC000096934043 HH Annotated Reactive COc1ccc([C@H]2C[C@]34OO[C@](C)(C=C3C(=O)O2)[C@H](c2ccccc2)O4)cc1OC ZINC000096934044 HH Annotated Reactive COc1ccc([C@H]2O[C@]34C[C@@H](c5cccc(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934057 HH Annotated Reactive COc1ccc([C@H]2O[C@]34C[C@H](c5cccc(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934058 HH Annotated Reactive COc1ccc([C@@H]2O[C@]34C[C@@H](c5cccc(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934059 HH Annotated Reactive COc1ccc([C@@H]2O[C@]34C[C@H](c5cccc(OC)c5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934060 HH Annotated Reactive Nc1nn(CC(=O)NCc2ccco2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000096934515 HH Annotated Anodyne Nc1nn(CC(=O)N2CCCCC2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000096934522 HH Annotated Anodyne O=C1C(=O)c2cccc3c2C(=C1Cl)OC[C@@H]3n1cc(-c2ccc(Cl)cc2)nn1 ZINC000096934570 HH Annotated Mild O=C1C(=O)c2cccc3c2C(=C1Cl)OC[C@H]3n1cc(-c2ccc(Cl)cc2)nn1 ZINC000096934571 HH Annotated Mild CCc1ccc(-c2cn([C@@H]3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934576 HH Annotated Mild CCc1ccc(-c2cn([C@H]3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934577 HH Annotated Mild O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccncc2)s1 ZINC000096934881 HH Annotated Anodyne COc1ccc2c(c1)CCc1c(-c3ccc(O[C@@H](C)CN(C)C)cc3)nc(N)nc1-2 ZINC000096935148 HH Annotated Anodyne COc1ccc2c(c1)CCc1c(-c3ccc(O[C@H](C)CN(C)C)cc3)nc(N)nc1-2 ZINC000096935149 HH Annotated Anodyne Cc1ccc(NC(=O)CNC2=C(C#N)[C@@H]3CCCN3C(=S)N2c2ccccc2)cc1 ZINC000096935421 HH Annotated Reactive Cc1ccc(NC(=O)CNC2=C(C#N)[C@H]3CCCN3C(=S)N2c2ccccc2)cc1 ZINC000096935422 HH Annotated Reactive O=S(=O)(Nc1ccc(O)c(Sc2ncn[nH]2)c1)c1c(Cl)cccc1Cl ZINC000096935497 HH Annotated Clean C/C(=N\NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(C(=O)O)noc1C ZINC000096935532 HH Annotated Reactive CO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)cn2)c1 ZINC000096937920 HH Annotated Mild CS(=O)(=O)N(Cc1cnc[nH]1)c1cc(F)cc(-c2nc3ccccc3s2)c1 ZINC000096937933 HH Annotated Anodyne O=C1N(Cc2ccccc2Cl)c2cccn2S(=O)(=O)N1Cc1ccccc1 ZINC000096938784 HH Annotated Anodyne CN1CCN(CCNCc2cn(-c3ccc(F)cc3F)nc2C2CCCCC2)CC1 ZINC000096938981 HH Annotated Anodyne CCN(CC)C[C@H](O)CN(Cc1ccccc1)Cc1cc2ccccc2nc1OC ZINC000096939073 HH Annotated Anodyne CCN(CC)C[C@@H](O)CN(Cc1ccccc1)Cc1cc2ccccc2nc1OC ZINC000096939074 HH Annotated Anodyne COc1nc2ccccc2cc1CN(Cc1ccccc1)C[C@H](O)CN1CCCC1 ZINC000096939089 HH Annotated Anodyne COc1nc2ccccc2cc1CN(Cc1ccccc1)C[C@@H](O)CN1CCCC1 ZINC000096939090 HH Annotated Anodyne COc1ccc(-c2ccc3nc(CS(=O)(=O)c4ccccc4)c([N+](=O)[O-])n3c2)cc1 ZINC000096939377 HH Annotated Bother COc1ccccc1OCCNC[C@H](O)CNc1ccc2[nH]c3ccccc3c2c1 ZINC000096939507 HH Annotated Anodyne COc1ccccc1OCCNC[C@@H](O)CNc1ccc2[nH]c3ccccc3c2c1 ZINC000096939510 HH Annotated Anodyne COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccc([N+](=O)[O-])cc4)c32)cc1 ZINC000096940441 HH Annotated Bother CC[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 ZINC000096941634 HH Annotated Anodyne COc1ccc(F)cc1-c1cccc(-c2nn(CCO[C@@H]3CCCCO3)c(=O)o2)c1 ZINC000098082221 HH Annotated Anodyne COc1ccc(F)cc1-c1cccc(-c2nn(CCO[C@H]3CCCCO3)c(=O)o2)c1 ZINC000098082222 HH Annotated Anodyne CS(=O)(=O)c1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000098082301 HH Annotated Anodyne Cc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000098082303 HH Annotated Anodyne Cn1c(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)NC2=O)ccc1[N+](=O)[O-] ZINC000098082402 HH Annotated Mild N#C/C(=C\c1ccc(Cl)cc1)Cn1nnn(-c2ccc(C(F)(F)F)cc2)c1=O ZINC000098082583 HH Annotated Reactive CCCN1CCN(c2nc(CCN(C)C(=O)c3ccc(Cl)cc3)cs2)CC1 ZINC000098082645 HH Annotated Anodyne CCN(CC)CN1C(=O)/C(=N/NC(=S)Nc2ccc(Cl)cc2)c2ccccc21 ZINC000098082684 HH Annotated Mild CCN(CC)CN1C(=O)/C(=N/NC(=S)Nc2ccccc2)c2cc(Cl)ccc21 ZINC000098082687 HH Annotated Mild O=C(c1cn(-c2ccccc2)nc1-c1ccsc1)N1CCN(c2ccncc2)CC1 ZINC000098083358 HH Annotated Anodyne CS(=O)(=O)c1ccc(Cc2n[nH]c(=S)n2/N=C/c2c(F)cccc2Cl)cc1 ZINC000098083884 HH Annotated Mild CSc1ccc(/C=N/n2c(Cc3ccc(S(C)(=O)=O)cc3)n[nH]c2=S)cc1 ZINC000098083886 HH Annotated Mild CCCN1CCN(c2ncc(CCN(C)C(=O)c3ccc(Cl)cc3)s2)CC1 ZINC000098084369 HH Annotated Anodyne Nc1nc(-c2ccc(CCN3CCN(c4cnc5ccccc5n4)CC3)cc2)cs1 ZINC000098084565 HH Annotated Anodyne Oc1nc(-c2ccc(CCN3CCN(c4cnc5ccccc5n4)CC3)cc2)cs1 ZINC000098084568 HH Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(NN)=NC=N[C@@H]32)cc1 ZINC000098084649 HH Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(NN)=NC=N[C@H]32)cc1 ZINC000098084650 HH Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(NN)=NC=N[C@@H]32)cc1 ZINC000098084651 HH Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(NN)=NC=N[C@H]32)cc1 ZINC000098084652 HH Annotated Anodyne CCn1c(S)nnc1CSc1nc2ccccc2c(=O)n1CCc1ccccc1 ZINC000098085147 HH Annotated Anodyne COc1cc(OC)c(C2=CCN(C)CC2)c(OC)c1/C=C/C(=O)c1cccc(N)c1 ZINC000098085349 HH Annotated Mild CCOC(=O)[C@H]1/C(=N/NC(N)=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000098085635 HH Annotated Reactive CCOC(=O)[C@@H]1/C(=N/NC(N)=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000098085636 HH Annotated Reactive CCOC(=O)[C@H]1/C(=N/NC(N)=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000098085637 HH Annotated Reactive CCOC(=O)[C@@H]1/C(=N/NC(N)=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000098085638 HH Annotated Reactive CC1(c2cc(-c3sc(NC(=O)N4CCC[C@@]4(C)C(N)=O)nc3Cl)ccn2)CC1 ZINC000098194371 HH Annotated Anodyne