CCN(CC)C(=O)Oc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1F ZINC000001048802 IJ Annotated Anodyne Cc1ccc(N2C(=O)N=C(O)[C@@](CCc3ccccn3)(Cc3ccc(F)cc3)C2=O)cc1 ZINC000001128450 IJ Annotated Anodyne Cc1ccc(N2C(=O)N=C(O)[C@](CCc3ccccn3)(Cc3ccc(F)cc3)C2=O)cc1 ZINC000001128453 IJ Annotated Anodyne CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cc(Cl)ccc1Cl ZINC000001163509 IJ Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl)N1CCCCC1 ZINC000001217135 IJ Annotated Anodyne BrC[C@@H]1C[n+]2c(SCc3ccccc3)nc3sc4c(c3c2O1)CCCC4 ZINC000001249015 IJ Annotated Reactive BrC[C@H]1C[n+]2c(SCc3ccccc3)nc3sc4c(c3c2O1)CCCC4 ZINC000001249016 IJ Annotated Reactive O=C(CSc1nnc2n(C3CCCCC3)c(=O)c3ccccc3n12)OC1CCCCC1 ZINC000001331605 IJ Annotated Anodyne O=C(NC1CCCC1)[C@H](c1ccsc1)N(Cc1ccco1)C(=O)Cc1cccs1 ZINC000001333664 IJ Annotated Anodyne O=C(NC1CCCC1)[C@@H](c1ccsc1)N(Cc1ccco1)C(=O)Cc1cccs1 ZINC000001333666 IJ Annotated Anodyne Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2nsc(Cl)c2Cl)c1C ZINC000001372007 IJ Annotated Anodyne C#CC(=O)N(c1cccc(C(F)(F)F)c1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000001376621 IJ Annotated Mild C#CC(=O)N(c1cccc(C(F)(F)F)c1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000001376622 IJ Annotated Mild CCOc1ccc2ccccc2c1[C@@H]1NC(=O)N(Cc2ccccc2)C(C)=C1C(=O)OC ZINC000001467242 IJ Annotated Anodyne CCOc1ccc2ccccc2c1[C@H]1NC(=O)N(Cc2ccccc2)C(C)=C1C(=O)OC ZINC000001467243 IJ Annotated Anodyne O=c1oc(Nc2ccccc2I)nc2cc(Cl)c(Cl)cc12 ZINC000001485515 IJ Annotated Anodyne O=c1oc(Nc2ccccc2I)nc2cc(C(F)(F)F)ccc12 ZINC000001485518 IJ Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC=C(c4ccccc4)CC3)c(C(F)(F)F)c21 ZINC000001490433 IJ Annotated Anodyne N#C/N=C1\N(CCCCCCCOc2ccc(Cl)cc2)C(=O)CCN1c1ccncc1 ZINC000100013758 IJ Annotated Mild COC(=O)N1C=CC=C([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C(C)/C2=C(/O)OCC(C)C)C1 ZINC000100050463 IJ Annotated Anodyne COC(=O)N1C=CC([C@H]2C(C(=O)OCC(C)C)=C(C)N=C(C)/C2=C(/O)OCC(C)C)=CC1 ZINC000100050525 IJ Annotated Anodyne COC(=O)C1=C(O)C[C@H](c2ccccn2)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccccn1 ZINC000100073455 IJ Annotated Anodyne Fc1ccc(CN2[C@H]3CN(CC(F)(F)F)C[C@H]2C3c2ccc(Br)cc2)cc1 ZINC000100087851 IJ Annotated Anodyne Fc1ccc(CN2[C@@H]3CN(CC(F)(F)F)C[C@H]2[C@H]3c2ccc(Br)cc2)cc1 ZINC000100087852 IJ Annotated Anodyne Fc1ccc(CN2[C@@H]3CN(CC(F)(F)F)C[C@H]2[C@@H]3c2ccc(Br)cc2)cc1 ZINC000100087854 IJ Annotated Anodyne Fc1ccc(CN2[C@@H]3CN(CC(F)(F)F)C[C@@H]2C3c2ccc(Br)cc2)cc1 ZINC000100087858 IJ Annotated Anodyne COc1cccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(/C=C/c3ccccc3)cc2)c1 ZINC000100093001 IJ Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100093999 IJ Annotated Anodyne Oc1cc(-c2c(-c3ccncc3)nn3c(C4C[C@@H]5CC[C@@H](C4)N5)ccnc23)ccc1Cl ZINC000100095824 IJ Annotated Anodyne Oc1cc(-c2c(-c3ccncc3)nn3c(C4C[C@H]5CC[C@H](C4)N5)ccnc23)ccc1Cl ZINC000100095828 IJ Annotated Anodyne COc1cc(CN2[C@@H]3CNC[C@H]2[C@H]3c2ccc(/C=C/c3ccccc3)cc2)cc(OC)c1 ZINC000100101550 IJ Annotated Anodyne COc1cc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(/C=C/c3ccccc3)cc2)cc(OC)c1 ZINC000100101578 IJ Annotated Anodyne N#Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cc(-c4ccccc4)on3)cc2)c1 ZINC000100106057 IJ Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3cc(-c4ccccc4)on3)cc2)c1 ZINC000100106062 IJ Annotated Mild COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3Cl)cc2)c1 ZINC000100106066 IJ Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccccc3Cl)cc2)c1 ZINC000100106070 IJ Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)Nc2ccccc2Cl)cc1 ZINC000100106255 IJ Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2cc(-c3ccccc3)on2)cc1 ZINC000100106637 IJ Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100107608 IJ Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100107611 IJ Annotated Anodyne COc1cc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(/C=C/c3ccccc3)cc2)cc(OC)c1 ZINC000100108176 IJ Annotated Anodyne COc1cc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(/C=C/c3ccccc3)cc2)cc(OC)c1 ZINC000100108178 IJ Annotated Anodyne N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000100109057 IJ Annotated Mild COc1cccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(/C=C/c3ccccc3)cc2)c1 ZINC000100109528 IJ Annotated Anodyne Cc1nn(-c2ccccc2)c2c1C(N1CCCCC1)=N[P@](=S)(N1CCCCC1)N2 ZINC000100206054 IJ Annotated Reactive O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000100279516 IJ Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000100279520 IJ Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1cc2ccccc2o1 ZINC000100279522 IJ Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1cc2ccccc2o1 ZINC000100279526 IJ Annotated Anodyne C[C@H]1/C=C\C=C/C=C\C=C/C=C\C(=O)C2=C(O)C(=O)C[C@@]2(C)/C=C\C=C/C=C\C(=O)NC1 ZINC000100303841 IJ Annotated Mild in-vitro C[C@H]1/C=C\C=C/C=C\C=C/C=C\C(=O)C2=C(O)C(=O)C[C@@]2(C)/C=C\C=C/C=C/C(=O)NC1 ZINC000100303843 IJ Annotated Mild in-vitro C[C@H]1/C=C\C=C/C=C\C=C/C=C\C(=O)C2=C(O)C(=O)C[C@@]2(C)/C=C\C=C\C=C/C(=O)NC1 ZINC000100303847 IJ Annotated Mild in-vitro C[C@H]1/C=C\C=C/C=C\C=C/C=C\C(=O)C2=C(O)C(=O)C[C@@]2(C)/C=C\C=C\C=C\C(=O)NC1 ZINC000100303852 IJ Annotated Mild in-vitro COc1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(OC)c1 ZINC000100335126 IJ Annotated Reactive CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1 ZINC000100391888 IJ Annotated Bother CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@@H]2C3)C1 ZINC000100391890 IJ Annotated Bother CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1 ZINC000100391892 IJ Annotated Bother CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N([C@H]2C[C@@H]3CC[C@@H]2C3)C1 ZINC000100391896 IJ Annotated Bother Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(N[C@@H]3CC[C@H](NC(=N)N)CC3)c2c1 ZINC000100413775 IJ Annotated Anodyne Cc1ccc([C@@H]2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2Cc2ccco2)o1 ZINC000100447228 IJ Annotated Mild Cc1ccc([C@H]2/C(=C(/O)c3ccc(Br)cc3)C(=O)C(=O)N2Cc2ccco2)o1 ZINC000100447232 IJ Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100455348 IJ Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100455354 IJ Annotated Mild Cc1ccc(Nc2cnn(C34C[C@@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1 ZINC000100459041 IJ Annotated Anodyne COc1ccc(N(C(=O)/C=C/c2ccc(OC)c(OC)c2)C2=C[C@H]3CC[C@H](C2)N3C)cc1 ZINC000100484262 IJ Annotated Anodyne COc1ccc(N/C=C2\C=C(Cc3ccccc3Cl)C=C([N+](=O)[O-])C2=O)cc1OC ZINC000100487131 IJ Annotated Mild CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)cc1C ZINC000100496692 IJ Annotated Mild CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)cc1C ZINC000100496695 IJ Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100496703 IJ Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000100496704 IJ Annotated Mild O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C[C@H]3CCC[C@H](C2)C3)c1=O ZINC000100617102 IJ Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O ZINC000100617107 IJ Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCC[C@H](C3)C2)c1=O ZINC000100617110 IJ Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C[C@@H]3CCC[C@@H](C2)C3)c1=O ZINC000100617112 IJ Annotated Anodyne C[C@H]1C[C@H]2C[C@@H](C1)C[C@H](N1[C@H]3CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc4ccccc41)C3)C2 ZINC000100617129 IJ Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc2c(c1)CC=N2 ZINC000100623455 IJ Annotated Anodyne CC(C)n1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@@H]4CC[C@@H]3N4)ccc21 ZINC000100632948 IJ Annotated Anodyne CC(C)n1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@H]4CC[C@H]3N4)ccc21 ZINC000100632950 IJ Annotated Anodyne CCCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@@H]4CC[C@@H]3N4)ccc21 ZINC000100632965 IJ Annotated Anodyne CCCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@H]4CC[C@H]3N4)ccc21 ZINC000100632969 IJ Annotated Anodyne CC(C)N1[C@@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2 ZINC000100633044 IJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)cc(F)c31)[C@@H]1CC[C@@H](C2)N1 ZINC000100633059 IJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)cc(F)c31)[C@H]1CC[C@H](C2)N1 ZINC000100633066 IJ Annotated Anodyne CNC(=C(C)C)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1O ZINC000100635525 IJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4occc34)CC2)CC1)C1CCOCC1 ZINC000100636724 IJ Annotated Anodyne CC(C)(C)CC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636884 IJ Annotated Anodyne CC(C)CCC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636943 IJ Annotated Anodyne O=C(CC1COC1)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000100638862 IJ Annotated Anodyne CC(C)(O)CC(=O)C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 ZINC000100638878 IJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@H]1CCCO1 ZINC000100638895 IJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@@H]1CCCO1 ZINC000100638896 IJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@H]1CCOC1 ZINC000100638897 IJ Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)[C@@H]1CCOC1 ZINC000100638898 IJ Annotated Anodyne CC1(C(=O)C[C@@H]2CC[C@@H](CCN3CCC(c4cccc5c4OCO5)CC3)CC2)COC1 ZINC000100638933 IJ Annotated Anodyne O=C(Nc1nc(-c2ccccc2)ns1)[C@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32 ZINC000100658265 IJ Annotated Anodyne O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32 ZINC000100658268 IJ Annotated Anodyne CCOC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1 ZINC000100703961 IJ Annotated Anodyne CCOC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1 ZINC000100703963 IJ Annotated Anodyne Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c3ccccc3nc-2c1O ZINC000100705125 IJ Annotated Anodyne Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705285 IJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)N1CCCCCC1 ZINC000100705332 IJ Annotated Anodyne Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705353 IJ Annotated Anodyne CC1CCN(C(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccccc2)CC1 ZINC000100705404 IJ Annotated Anodyne Cc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705500 IJ Annotated Anodyne Cc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705610 IJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1)N1CCCC1 ZINC000100705637 IJ Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)N3CCCC3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705750 IJ Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)NCc1ccccc1 ZINC000100705766 IJ Annotated Anodyne Cc1cc(C)cc(-n2c(SCC(=O)N3CCCCC3)nc3c4ccccc4nc-3c2O)c1 ZINC000100705861 IJ Annotated Anodyne Cc1ccc(C#N)c(/C(O)=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 ZINC000100767747 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@H](O)CCc2ccccc2)[C@]13C(=O)O ZINC000100775441 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@H](O)CCc2ccccc2)[C@]13C(=O)O ZINC000100775443 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2([C@H](O)CCc2ccccc2)[C@]13C(=O)O ZINC000100775444 IJ Annotated Mild CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)C[C@H]2[C@H](O)C[C@@H]3[C@@H]([C@H]2C1)C3(C)C ZINC000100776817 IJ Annotated Anodyne in-man endogenous CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)C[C@H]2[C@H](O)C[C@@H]3[C@@H]([C@H]2C1)C3(C)C ZINC000100776819 IJ Annotated Anodyne in-man endogenous CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)C[C@H]2[C@H](O)C[C@@H]3[C@@H]([C@H]2C1)C3(C)C ZINC000100776820 IJ Annotated Anodyne in-man endogenous CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)C[C@H]2[C@H](O)C[C@@H]3[C@@H]([C@H]2C1)C3(C)C ZINC000100776822 IJ Annotated Anodyne in-man endogenous CCc1cccc([C@@H](C)CC)c1/N=c1/cc2n(c(=O)n1C)CCc1cc(OC)c(OC)cc1-2 ZINC000100786466 IJ Annotated Anodyne CCc1cccc([C@@H](C)CC)c1/N=c1\cc2n(c(=O)n1C)CCc1cc(OC)c(OC)cc1-2 ZINC000100786468 IJ Annotated Anodyne CCc1cccc([C@H](C)CC)c1/N=c1/cc2n(c(=O)n1C)CCc1cc(OC)c(OC)cc1-2 ZINC000100786473 IJ Annotated Anodyne CCc1cccc([C@H](C)CC)c1/N=c1\cc2n(c(=O)n1C)CCc1cc(OC)c(OC)cc1-2 ZINC000100786476 IJ Annotated Anodyne COc1cc2c(cc1OC)-c1c/c(=N/c3c(C)cc(C)cc3C)n(C(C)C)c(=O)n1CC2 ZINC000100787405 IJ Annotated Anodyne COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(C(C)C)c(=O)n1CC2 ZINC000100787409 IJ Annotated Anodyne COC(=O)c1ccc(/C(=N/c2ccccc2)N2CCCN(CCc3ccccc3)CC2)cc1 ZINC000100799101 IJ Annotated Mild CN(Cc1ccccc1)C(=O)c1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)c1 ZINC000100808473 IJ Annotated Anodyne CN(C(=O)c1c(O)c2cccc(C(F)(F)F)c2n(C)c1=O)c1ccc(Cl)cc1Cl ZINC000100817919 IJ Annotated Anodyne CN1C(=O)/C(=C(/S)N(C)c2cccc(C(F)(F)F)c2)C(=O)c2cc(Cl)ccc21 ZINC000100834393 IJ Annotated Mild C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@@H]1CC[C@@]2(C)OC/C=C/c1ccccc1 ZINC000100835548 IJ Annotated Reactive C[C@]1(OC/C=C/c2ccccc2)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000100835552 IJ Annotated Reactive COc1ccc(C(=O)CCC[C@H]2OO[C@H](CCCC(=O)c3ccc(OC)cc3)OO2)cc1 ZINC000100837826 IJ Annotated Reactive CC(C)[C@@]1(C(=O)NCCc2ccc(Cl)cc2)OC(O)=C([C@@H](C)c2ccccc2)C1=O ZINC000100869994 IJ Annotated Mild CC(C)[C@]1(C(=O)NCCc2ccc(Cl)cc2)OC(O)=C([C@@H](C)c2ccccc2)C1=O ZINC000100869995 IJ Annotated Mild CC(C)[C@@]1(C(=O)NCCc2ccc(Cl)cc2)OC(O)=C([C@H](C)c2ccccc2)C1=O ZINC000100869996 IJ Annotated Mild CC(C)[C@]1(C(=O)NCCc2ccc(Cl)cc2)OC(O)=C([C@H](C)c2ccccc2)C1=O ZINC000100869997 IJ Annotated Mild CCCCCCOC[C@@]12C[C@@H]3[C@H](C)C(=O)C[C@H]3[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100879629 IJ Annotated Mild CCCCCCOC[C@]12C[C@@H]3[C@H](C)C(=O)C[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100879631 IJ Annotated Mild CCCCCCOC[C@@]12C[C@@H]3[C@H](C)C(=O)C[C@H]3[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000100879633 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)C2CCC2)[C@@]13C(=O)O ZINC000100929362 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)C2CCC2)[C@@]13C(=O)O ZINC000100929367 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCC2)[C@@]13C(=O)O ZINC000100929371 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCC2)[C@@]13C(=O)O ZINC000100929376 IJ Annotated Mild COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1ccc4ccccc4c1)C3)CO2 ZINC000100929665 IJ Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000100937818 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000100937826 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000100937830 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000100937834 IJ Annotated Mild CC(C)CCC#C[C@@H](O)[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 ZINC000100939242 IJ Annotated Mild CC(C)CCC#C[C@@H](O)[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 ZINC000100939244 IJ Annotated Mild CCOc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1ccc4ccccc4c1)C3)CO2 ZINC000100984888 IJ Annotated Anodyne COc1cccc2c1O[C@@H](CN1[C@H]3CC[C@@H]1C[C@@](O)(c1csc4ccccc14)C3)CO2 ZINC000100984889 IJ Annotated Anodyne COc1cc(C(=O)OC[C@H](C)CC2=C(O)C(=O)c3ccccc3C2=O)c(O)c2ccccc12 ZINC000101013057 IJ Annotated Mild CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccsc2)c2cnccn2)cc1 ZINC000101014942 IJ Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccsc2)c2cnccn2)cc1 ZINC000101014952 IJ Annotated Anodyne COc1c(C(=O)OC[C@@H](C)CC2=C(O)C(=O)c3ccccc3C2=O)ccc2ccccc12 ZINC000101019614 IJ Annotated Mild CN(C)C(=O)OC1=C(c2cccc3ccccc23)Oc2cc(C(=O)O)ccc2[N+]2=C1CC=C2 ZINC000101021288 IJ Annotated Anodyne CCNC(=O)c1ccc(C(Br)=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)cc1 ZINC000101022510 IJ Annotated Anodyne CCNC(=O)c1ccc(C(Br)=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)cc1 ZINC000101022518 IJ Annotated Anodyne COC(=O)c1[nH]c(-c2ccc3c(n2)C(=O)C(=N)C(Cl)=C3O)c2nc3ccccc3c-2c1C ZINC000101034748 IJ Annotated Clean C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3C[C@@H](O)[C@@H](C)C[C@H](OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000101079691 IJ Annotated Mild N#Cc1ccc(CN(Cc2ccc(C#N)cc2)C2=C[C@H]3c4ccccc4C(=O)N[C@H]3C=C2)cc1 ZINC000101081387 IJ Annotated Mild N#Cc1ccc(CN(Cc2ccc(C#N)cc2)C2=C[C@@H]3c4ccccc4C(=O)N[C@H]3C=C2)cc1 ZINC000101081389 IJ Annotated Mild N#Cc1ccc(CN(Cc2ccc(C#N)cc2)C2=C[C@H]3c4ccccc4C(=O)N[C@@H]3C=C2)cc1 ZINC000101081391 IJ Annotated Mild N#Cc1ccc(CN(Cc2ccc(C#N)cc2)C2=C[C@@H]3c4ccccc4C(=O)N[C@@H]3C=C2)cc1 ZINC000101081395 IJ Annotated Mild CC(C)C1=C(C(=O)c2cccc3ccccc23)N(COCc2ccccc2)C(=O)CC1=O ZINC000101086173 IJ Annotated Mild Cc1nc2cc(/N=C3/SCC(=O)N3C(=O)c3ccccc3)ccc2n1Cc1ccccc1 ZINC000101086931 IJ Annotated Mild CCc1ccc(Nc2cnn(C34C[C@@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1 ZINC000101094677 IJ Annotated Anodyne O=C1/C(=C/N2CCN(CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000101099088 IJ Annotated Mild O=C1C(=C(O)c2ccc(O)cc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000101099971 IJ Annotated Clean COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)[C@H]1SCCS[C@@H]1C3)CC2 ZINC000101100054 IJ Annotated Mild COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)[C@@H]1SCCS[C@@H]1C3)CC2 ZINC000101100059 IJ Annotated Mild COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)[C@H]1SCCS[C@H]1C3)CC2 ZINC000101100060 IJ Annotated Mild COc1cc2c(cc1OC)CN(/C=N/c1ccc3c(c1)[C@@H]1SCCS[C@H]1C3)CC2 ZINC000101100061 IJ Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000101114482 IJ Annotated Mild CCOC(=O)C1=C(c2ccoc2)c2ccc(OCCCc3ccccc3)cc2/C1=[N+](/C)[O-] ZINC000101118198 IJ Annotated Mild CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCc3ccccc3)cc2/C1=[N+](/C)[O-] ZINC000101141151 IJ Annotated Mild C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](O)(c3ccccc3)CC2)cc1)C(F)(F)F ZINC000101176224 IJ Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@@](O)(c3ccccc3)CC2)cc1)C(F)(F)F ZINC000101176261 IJ Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](O)(CC3CC3)CC2)cc1)C(F)(F)F ZINC000101176318 IJ Annotated Anodyne N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](N4CCN(c5cccc6nccnc56)CC4)CC3)c2c1 ZINC000101181690 IJ Annotated Mild N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](N4CCN(c5cccc6nccnc56)CC4)CC3)c2c1 ZINC000101181692 IJ Annotated Mild CN1C(=O)/C(=C(/S)N(C)c2ccc(Br)cc2)C(=O)c2cc(Cl)ccc21 ZINC000101260978 IJ Annotated Mild CCCCCCOC[C@@]12C[C@H]3[C@@H](CC[C@]3(C)O)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101279314 IJ Annotated Mild CCCCCCOC[C@]12C[C@H]3[C@@H](CC[C@]3(C)O)[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101279318 IJ Annotated Mild CCCCCCOC[C@@]12C[C@H]3[C@@H](CC[C@]3(C)O)[C@]3(C=O)C[C@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000101279323 IJ Annotated Mild COc1ccc(Cl)c2c1NC(=O)[C@@H]2N/N=C(\S)Nc1cc(Cl)cc(Cl)c1 ZINC000101284232 IJ Annotated Mild O=C(Cn1c(=O)oc2ccccc21)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1O ZINC000101301080 IJ Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccco2)[C@@]13C(=O)O ZINC000101334310 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCOC(=O)c2ccco2)[C@@]13C(=O)O ZINC000101334315 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccco2)[C@@]13C(=O)O ZINC000101334320 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccco2)[C@@]13C(=O)O ZINC000101334324 IJ Annotated Mild CC(C)=CC(=O)OCC[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 ZINC000101335146 IJ 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]4CCCC[C@H]24)[C@]13C(=O)O ZINC000101366194 IJ Annotated Mild O=C(NC[C@@H]1CC[C@@H](C(=O)O)CC1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1 ZINC000101387078 IJ Annotated Anodyne O=c1cc(-c2cc(F)c(F)c(F)c2F)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12 ZINC000101404865 IJ Annotated Mild O=c1cc(-c2cc(F)c(F)c(F)c2F)[nH]c2c(-c3cccs3)c(C(F)(F)F)nn12 ZINC000101404872 IJ Annotated Mild O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)[C@@H](O)c1ccccc1 ZINC000101405106 IJ Annotated Anodyne O=C(NCc1cccc(-c2cccc(-c3cc4c[nH]ccc-4n3)c2O)c1)[C@H](O)c1ccccc1 ZINC000101405112 IJ Annotated Anodyne N#Cc1cccc(CN(Cc2cccc(C#N)c2)C2=C[C@H]3c4ccccc4C(=O)N[C@H]3C=C2)c1 ZINC000101426412 IJ Annotated Mild N#Cc1cccc(CN(Cc2cccc(C#N)c2)C2=C[C@@H]3c4ccccc4C(=O)N[C@H]3C=C2)c1 ZINC000101426418 IJ Annotated Mild N#Cc1cccc(CN(Cc2cccc(C#N)c2)C2=C[C@H]3c4ccccc4C(=O)N[C@@H]3C=C2)c1 ZINC000101426422 IJ Annotated Mild N#Cc1cccc(CN(Cc2cccc(C#N)c2)C2=C[C@@H]3c4ccccc4C(=O)N[C@@H]3C=C2)c1 ZINC000101426424 IJ Annotated Mild C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)/C1=C/c1cc(O)c(O)c(C=O)c1OS(=O)(=O)O ZINC000101428251 IJ Annotated Clean C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)/C1=C/c1cc(O)c(O)c(C=O)c1OS(=O)(=O)O ZINC000101428254 IJ Annotated Clean C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]2CC/C(C)=C/CC1 ZINC000101462567 IJ Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000101471928 IJ Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000101471931 IJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000101471934 IJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CCCC2=N1 ZINC000101471937 IJ Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)OC2CCCCC2)[C@@]13C(=O)O ZINC000101495940 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)OC2CCCCC2)[C@@]13C(=O)O ZINC000101495943 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)OC2CCCCC2)[C@@]13C(=O)O ZINC000101495946 IJ Annotated Mild CO[C@@H]1CC[C@@H](C(=O)OCC2=C[C@@H]3c4cccc5c4c(cn5C(C)C)C[C@H]3N(C)C2)CC1 ZINC000101496400 IJ Annotated Anodyne O=C(CNC(=O)/C=C/c1ccco1)/N=N/c1c(O)n(CCc2ccccc2)c2ccccc12 ZINC000101498150 IJ Annotated Clean CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]23Cc4ccc(O)cc4[C@]2(CCN(CC2CC2)C3)C1 ZINC000101503962 IJ Annotated Anodyne CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]23Cc4ccc(O)cc4[C@@]2(CCN(CC2CC2)C3)C1 ZINC000101503965 IJ Annotated Anodyne CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@]23Cc4ccc(O)cc4[C@@]2(CCN(CC2CC2)C3)C1 ZINC000101503969 IJ Annotated Anodyne CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]23Cc4ccc(O)cc4[C@]2(CCN(CC2CC2)C3)C1 ZINC000101503981 IJ Annotated Anodyne CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@]23Cc4ccc(O)cc4[C@@]2(CCN(CC2CC2)C3)C1 ZINC000101503986 IJ Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@H](C)[C@](OCC(F)(F)F)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 ZINC000101506049 IJ Annotated Reactive C[C@@H]1CC[C@@H]2[C@@H](C)[C@](OCC(F)(F)F)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 ZINC000101506053 IJ Annotated Reactive C[C@]12CCC[C@@](C)(CO)[C@@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@H](O)[C@]3(C)CC[C@]12C3 ZINC000101514525 IJ Annotated Anodyne Oc1c2cnnc-2nc(SCc2ccccc2F)n1-c1ccc(Br)cc1 ZINC000101532740 IJ Annotated Anodyne CCCCC/C=C\C[C@@]1(O)C=C(Br)C(=O)/C1=C/C=C/CCCC(=O)OC ZINC000101557331 IJ Annotated Mild COC(=O)Cc1nn(-c2nc3ccccc3s2)c(O)c1/C(C)=N/c1ccc(Cl)cc1 ZINC000101569491 IJ Annotated Mild COc1cc([C@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)ccc1OC(C)=O ZINC000101596377 IJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)ccc1OC(C)=O ZINC000101596380 IJ Annotated Anodyne O=c1[nH]c([C@@H]2CC[C@H](c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)n2)c(=O)[nH]1 ZINC000101598372 IJ Annotated Anodyne O=[N+]([O-])c1ccc(OC2[C@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)c(C(F)(F)F)c1 ZINC000101613010 IJ Annotated Bother COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(O)c2/C=N/Cc2ccc(F)cc2)cc1 ZINC000101639066 IJ Annotated Mild CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C=C/C(=O)c1c(O)c([C@@]2(O)CC[C@H](O)CC2)c[nH]c1=O ZINC000101639245 IJ Annotated Mild O=C(NCc1ccncn1)c1ccc(Oc2ccc(/C=C/C3=CN4CCC3CC4)cc2)cc1 ZINC000101642555 IJ Annotated Anodyne COC(=O)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@]1(C)C3 ZINC000101649244 IJ Annotated Anodyne C=C1CC[C@@H]2O[C@]2(COC(=O)c2ccccc2)C[C@H]2O[C@@]23[C@H](C(C)(C)O)CC[C@@]3(C)CC1 ZINC000101655738 IJ Annotated Mild CC1(C)CCN(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccc(Cl)cc3)c21 ZINC000101668349 IJ Annotated Anodyne CC1(C)CCN([C@@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)C(=O)c2cnn(-c3ccc(Cl)cc3)c21 ZINC000101668353 IJ Annotated Anodyne CC1(C)CCN([C@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)C(=O)c2cnn(-c3ccc(Cl)cc3)c21 ZINC000101668355 IJ Annotated Anodyne CC1(C)CCN(C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccc(Cl)cc3)c21 ZINC000101668358 IJ Annotated Anodyne CC1(C)CCN(C2[C@H]3CC4C[C@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3cccc(Cl)c3)c21 ZINC000101668362 IJ Annotated Anodyne CC1(C)CCN([C@@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)C(=O)c2cnn(-c3cccc(Cl)c3)c21 ZINC000101668363 IJ Annotated Anodyne CC1(C)CCN([C@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)C(=O)c2cnn(-c3cccc(Cl)c3)c21 ZINC000101668366 IJ Annotated Anodyne CC1(C)CCN(C2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3cccc(Cl)c3)c21 ZINC000101668369 IJ Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCCc2cnc[nH]2)C1=O ZINC000101672016 IJ Annotated Mild CC1(C)OC(=O)N([C@@H]2CC[C@@H](n3c(=O)[nH]c4c(F)c(C#N)ccc43)CC2)[C@H]1c1ccccc1 ZINC000101678589 IJ Annotated Mild CC(C)OCc1c(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)oc2ccccc12 ZINC000101683198 IJ Annotated Reactive C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)Nc5ccc(F)cc5)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000101687260 IJ Annotated Mild O=C1C2=C(C(=O)[C@H]1c1ccccc1)[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000101691649 IJ Annotated Mild O=C1C2=C(C(=O)[C@@H]1c1ccccc1)[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000101691656 IJ Annotated Mild CO[C@]1([C@@H]2CSC(=O)N2C)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000101695626 IJ Annotated Anodyne O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000101697679 IJ Annotated Clean CN(CCC[18F])C(=O)c1cc2ccccc2c(-c2ccccc2I)n1 ZINC000101703516 IJ Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000101707031 IJ Annotated Anodyne Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@H]3CCC[C@H]2C3=N/N=C2/NC(=O)CS2)cc1 ZINC000101778846 IJ Annotated Mild Cc1ccc([C@@H]2N[C@@H](c3ccc(C)cc3)[C@H]3CCC[C@H]2C3=N/N=C2/NC(=O)CS2)cc1 ZINC000101778848 IJ Annotated Mild Cc1ccccc1NC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21 ZINC000101848336 IJ Annotated Clean CCCCC(=O)N1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@H]1C ZINC000101856198 IJ Annotated Anodyne CCCCC(=O)N1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@H]1C ZINC000101856205 IJ Annotated Anodyne CCn1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c(C)n1 ZINC000101882266 IJ Annotated Anodyne CCn1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c(C)n1 ZINC000101882272 IJ Annotated Anodyne COc1ccccc1NC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21 ZINC000101890972 IJ Annotated Clean COc1cc([C@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc(OC)c1OC ZINC000101894805 IJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc(OC)c1OC ZINC000101894808 IJ Annotated Anodyne Cc1ccc2[nH]c(O)c(/N=N/C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2c1 ZINC000101895419 IJ Annotated Clean CC(C)c1ccc(S(=O)(=O)NC2=C/C(=N\c3ccc(O)cc3)C(=O)c3ccccc32)cc1 ZINC000101942305 IJ Annotated Mild CCc1ccc(S(=O)(=O)NC2=C/C(=N\c3ccccc3OC)C(=O)c3ccccc32)cc1 ZINC000101959479 IJ Annotated Mild COc1cc(OC)cc(/C(C)=C2\C(=O)N(Cc3cccnc3)C(=O)\C2=C\c2ccccc2)c1 ZINC000101963243 IJ Annotated Anodyne COc1cc(OC)cc(/C(C)=C2\C(=O)N(Cc3ccncc3)C(=O)\C2=C\c2ccccc2)c1 ZINC000101963710 IJ Annotated Anodyne CCc1cc(=O)c2ccc(OC(C)C)c(COC[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101996348 IJ Annotated Anodyne CCc1cc(=O)c2ccc(OC(C)C)c(COC[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101996353 IJ Annotated Anodyne CCCCO[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000101998634 IJ Annotated Mild CCCCO[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000101998637 IJ Annotated Mild O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H]2CC[C@@H](c3ccccc3)[C@@H]1c1cn[nH]c1C2 ZINC000102067924 IJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H](c3ccccc3)[C@H]1c1cn[nH]c1C2 ZINC000102067932 IJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccccc1)C2 ZINC000102082421 IJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1ccccc1)C2 ZINC000102082426 IJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1CC[C@H]2c1ccccc1 ZINC000102082566 IJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H](c3ccccc3)[C@H]1Cc1[nH]ncc12 ZINC000102082576 IJ Annotated Anodyne CC[C@@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3C[C@H](C)OC=C3C(=O)[C@]2(C)OC1=O ZINC000102155917 IJ Annotated Mild CC[C@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3C[C@H](C)OC=C3C(=O)[C@]2(C)OC1=O ZINC000102155922 IJ Annotated Mild CC[C@@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3C[C@@H](C)OC=C3C(=O)[C@]2(C)OC1=O ZINC000102155924 IJ Annotated Mild CC[C@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3C[C@@H](C)OC=C3C(=O)[C@]2(C)OC1=O ZINC000102155926 IJ Annotated Mild CCCCC/C=C\C[C@@]1(O)C=C(Br)C(=O)/C1=C/C=C\CCCC(=O)OC ZINC000102185806 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@H](O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000102205366 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@H](O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000102205375 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2([C@H](O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000102205380 IJ Annotated Mild C=C1C=C(C(F)F)n2ncc(C(=O)Nc3ccc(Br)cc3C(F)(F)F)c2N1 ZINC000102215211 IJ Annotated Anodyne O=C1[C@@H]2CN(C(=O)Nc3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000102240478 IJ Annotated Anodyne O=C1[C@H]2[C@H](CN(C(=O)Nc3ccccc3)[C@H]2c2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000102240482 IJ Annotated Anodyne O=C1[C@H]2CN(C(=O)Nc3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102240488 IJ Annotated Anodyne OC1(c2cccc(C(F)(F)F)c2)CCN(c2[nH]cnc3c4cc(F)ccc4nc2-3)CC1 ZINC000102315155 IJ Annotated Anodyne aggregator Cc1c(C(=O)N2C[C@@H]3CC[C@@H]2C3)sc2ncnc(NCCc3c[nH]c4ccccc34)c12 ZINC000102351578 IJ Annotated Anodyne Cc1c(C(=O)N2C[C@H]3CC[C@H]2C3)sc2ncnc(NCCc3c[nH]c4ccccc34)c12 ZINC000102351586 IJ Annotated Anodyne CO/C(O)=C(/C=N/c1ccc(Oc2ccc(F)cc2F)nc1)NC(=O)c1ccccc1 ZINC000102368468 IJ Annotated Mild CCC12C[C@@H]3C[C@@H](C1)CC(C(=O)N1CCC(F)(CNCc4ccc(C)cn4)CC1)(C3)C2 ZINC000102405220 IJ Annotated Anodyne CCC12C[C@H]3C[C@H](C1)CC(C(=O)N1CCC(F)(CNCc4ccc(C)cn4)CC1)(C3)C2 ZINC000102405223 IJ Annotated Anodyne O=C(NN=C1[C@@H]2CCC[C@@H]1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1)c1ccncc1 ZINC000102414469 IJ Annotated Reactive O=C(NN=C1[C@H]2CCC[C@H]1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1)c1ccncc1 ZINC000102414472 IJ Annotated Reactive Cc1ccc(CNCC2(F)CCN(C(=O)C34CC5C[C@@](C)(C3)C[C@@](C)(C5)C4)CC2)nc1 ZINC000102415128 IJ Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)C34CC5C[C@](C)(C3)C[C@](C)(C5)C4)CC2)nc1 ZINC000102415132 IJ Annotated Anodyne CCN/C=C1/C=C(/C=C/C(=O)c2ccc(OC)cc2)c2c(ccc3c(C)cc(=O)oc23)C1=O ZINC000102415657 IJ Annotated Mild Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NC(C)C)C=C3/C=C/C(=O)c1ccc(O)cc1 ZINC000102417471 IJ Annotated Mild CCN/C=C1/C=C(/C=C/C(=O)c2ccc(C)cc2)c2c(ccc3c(C)cc(=O)oc23)C1=O ZINC000102433397 IJ Annotated Mild COc1ccc([C@H]2C=CCN(Cc3ccco3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000102624982 IJ Annotated Anodyne COC(=O)c1sccc1-c1ccc([C@H]2C3=C(CCCC3=O)N=C(C)/C2=C(\O)OC)o1 ZINC000102663528 IJ Annotated Mild COC(=O)c1sccc1-c1ccc([C@@H]2C3=C(CCCC3=O)N=C(C)/C2=C(\O)OC)o1 ZINC000102663529 IJ Annotated Mild O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000102673851 IJ Annotated Clean CCOC(=O)[C@@H]1[C@H](c2ccccc2)C(=C(/O)OCC)/C(=N/c2ccc(C)cc2)C[C@@]1(C)O ZINC000102679995 IJ Annotated Mild Cc1cccc2c(/N=N/C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c(O)[nH]c12 ZINC000102681490 IJ Annotated Clean Cc1ccc(Cl)cc1/N=C1/C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O ZINC000102710687 IJ Annotated Mild O=C1C[C@@H](NCc2ccc(Cl)cc2)C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 ZINC000102727167 IJ Annotated Anodyne CSc1nc2c(c(=O)n1C)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C[C@@H]1Cl)N2 ZINC000102810468 IJ Annotated Reactive CSc1nc2c(c(=O)n1C)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C[C@H]1Cl)N2 ZINC000102810470 IJ Annotated Reactive CSc1nc2c(c(=O)n1C)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C[C@@H]1Cl)N2 ZINC000102810474 IJ Annotated Reactive CSc1nc2c(c(=O)n1C)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C[C@H]1Cl)N2 ZINC000102810475 IJ Annotated Reactive N#Cc1c(Cl)c(Cl)c2c(C(=O)c3ccccc3)c3n(c(=N)c2c1Cl)CCCN3 ZINC000102826179 IJ Annotated Mild COc1ccc(C(=O)c2c3n(c(=N)c4c(Cl)c(C#N)c(Cl)c(Cl)c24)CCN3)cc1 ZINC000102826913 IJ Annotated Mild N#Cc1c(F)c(Cl)c2c(C(=O)c3ccc(Cl)cc3)c3n(c(=N)c2c1F)CCCN3 ZINC000102827678 IJ Annotated Mild COc1ccc(C(=O)c2c3n(c(=N)c4c(Cl)c(C#N)c(Cl)c(Cl)c24)CCO3)cc1 ZINC000102827689 IJ Annotated Mild C[C@H]1/C=C/C[C@H](Br)[C@@H]2C[C@@H](Cl)[C@@H](C[C@H](C=C=CBr)O1)O2 ZINC000102831004 IJ Annotated Reactive Cc1cc2c(c(=O)n1-c1ccccc1)[C@H]1O[C@@](c3ccsc3)(Cc3cc(C#N)ccc31)O2 ZINC000102836968 IJ Annotated Mild Cc1cc2c(c(=O)n1-c1ccccc1)[C@@H]1O[C@](c3ccsc3)(Cc3cc(C#N)ccc31)O2 ZINC000102836972 IJ Annotated Mild O=C1CCCC2=C1[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000102837111 IJ Annotated Mild O=C1CCCC2=C1[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000102837116 IJ Annotated Mild COc1ccc2c3c(c(=O)oc2c1)[C@H]1O[C@@](c2ccsc2)(Cc2cc(C#N)ccc21)O3 ZINC000102849363 IJ Annotated Mild COc1ccc2c3c(c(=O)oc2c1)[C@@H]1O[C@](c2ccsc2)(Cc2cc(C#N)ccc21)O3 ZINC000102849366 IJ Annotated Mild O=C(Nc1ccc(Br)cc1F)c1cnn2c1NC(=C1CC1)C=C2C(F)F ZINC000102854700 IJ Annotated Anodyne COc1ccc([C@]23Cc4cc(C#N)ccc4[C@@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1 ZINC000102868610 IJ Annotated Mild COc1ccc([C@@]23Cc4cc(C#N)ccc4[C@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1 ZINC000102868613 IJ Annotated Mild COc1ccc([C@]23Cc4cc(OC)c(OC)cc4[C@@H](O2)C2=C(CC(C)(C)CC2=O)O3)cc1 ZINC000102892669 IJ Annotated Mild COc1ccc([C@@]23Cc4cc(OC)c(OC)cc4[C@H](O2)C2=C(CC(C)(C)CC2=O)O3)cc1 ZINC000102892673 IJ Annotated Mild CCCCN(CCCC)C(=O)C(=O)[C@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000102941825 IJ Annotated Anodyne CCCCN(CCCC)C(=O)C(=O)[C@@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000102941826 IJ Annotated Anodyne COc1ccc(Cn2cccc3c(-c4ccc(-n5cnc(C)c5)c(OC)c4)nnc2-3)cc1 ZINC000102948936 IJ Annotated Anodyne CC1=C[C@@H]2/C=C/C[C@H](C)CCC[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000102973781 IJ Annotated Mild O=C1C([C@@H](c2ccccc2)N2CCOCC2)=C(O)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000102979445 IJ Annotated Anodyne O=C1C([C@@H](c2ccccc2)N2CCOCC2)=C(O)[C@H](c2ccccc2)N1c1ccccc1 ZINC000102979448 IJ Annotated Anodyne O=C1C([C@H](c2ccccc2)N2CCOCC2)=C(O)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000102979450 IJ Annotated Anodyne O=C1C([C@H](c2ccccc2)N2CCOCC2)=C(O)[C@H](c2ccccc2)N1c1ccccc1 ZINC000102979452 IJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1coc2ccccc2c1=O ZINC000102980321 IJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1coc2ccccc2c1=O ZINC000102980325 IJ Annotated Mild COc1ccc(N2C(=O)[C@H]3[C@H]4Cc5ccccc5[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 ZINC000102986869 IJ Annotated Anodyne CCC1C[C@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)ccc1OC)N[C@@H]2c1cc(OC)ccc1OC ZINC000102998217 IJ Annotated Anodyne CCC1C[C@H]2C(=O)[C@H](C1)[C@H](c1ccc(OC)c(OC)c1)N[C@@H]2c1ccc(OC)c(OC)c1 ZINC000102998707 IJ Annotated Anodyne Cc1ccc2c(n1)C(=O)C(Br)=C(Nc1ccc(-c3ccc(N)cc3)cc1)C2=O ZINC000103005103 IJ Annotated Mild Cc1ccc2c(n1)C(=O)C(Br)=C(Nc1ccc(-c3ccc(O)cc3)cc1)C2=O ZINC000103007210 IJ Annotated Mild CC(=O)N1c2ccccc2N=C(c2ccc(C(F)(F)F)cc2)[C@@H]1C(=O)NC1CCCC1 ZINC000103121320 IJ Annotated Anodyne CC(=O)N1c2ccccc2N=C(c2ccc(C(F)(F)F)cc2)[C@H]1C(=O)NC1CCCC1 ZINC000103121323 IJ Annotated Anodyne CCCCCn1c(=O)nc(-c2ccc(NC)nc2)c2oc3ccc(-c4cnn(C)c4)cc3c21 ZINC000103129524 IJ Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC[C@]45O[C@@H]4C(=O)CC[C@]35C)[C@H]1Cc1cnn(-c3ccc(F)cc3)c1N2 ZINC000103130024 IJ Annotated Anodyne Cc1ccc2c(c1)nc(C(C)(C)O)n2[C@@H]1CC[C@H](NC[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000103143664 IJ Annotated Mild Cc1ccc2c(c1)nc(C(C)(C)O)n2[C@@H]1CC[C@@H](NC[C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000103143682 IJ Annotated Mild Nc1sc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCOCC1 ZINC000103144094 IJ Annotated Bother C=C1[C@H]2C[C@H](OC(=O)c3ccccc3)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103144691 IJ Annotated Mild O=C1/C=C/[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2/C=C/CCC[C@H](CCc2ccc(C(F)(F)F)cc2)O1 ZINC000103146827 IJ Annotated Anodyne C=CCn1c(=O)c([C@@H]2C3=C(CCCC3=O)Oc3cc(C)oc(=O)c32)cc2cc(Cl)ccc21 ZINC000103166651 IJ Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CCCC3=O)Oc3cc(C)oc(=O)c32)cc2cc(Cl)ccc21 ZINC000103166655 IJ Annotated Mild O=C1N(c2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)N1CNc1nccs1 ZINC000103168356 IJ Annotated Anodyne COc1cc(OC)c(/C=C2\C=C(Cc3ccc(Br)cc3)C(=O)O2)c(OC)c1 ZINC000103168842 IJ Annotated Anodyne CCCC(=O)N(Cc1ccc(Oc2ccc(C#N)cc2)cc1)C(=O)c1cc(CC)nn1C ZINC000103169586 IJ Annotated Mild C[C@@H]1CCCN(CC#CCn2nc(-c3ccccc3)n(-c3cccc4ccccc34)c2=O)C1 ZINC000103171430 IJ Annotated Mild C[C@H]1CCCN(CC#CCn2nc(-c3ccccc3)n(-c3cccc4ccccc34)c2=O)C1 ZINC000103171433 IJ Annotated Mild O=c1n(CC#CCN2CCCCCC2)nc(-c2ccccc2)n1-c1cccc2ccccc12 ZINC000103171436 IJ Annotated Mild C[C@H]1CCC[C@@H](C)N1CC#CCn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=O ZINC000103171440 IJ Annotated Mild C[C@H]1CCC[C@H](C)N1CC#CCn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=O ZINC000103171442 IJ Annotated Mild C[C@@H]1CCC[C@@H](C)N1CC#CCn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=O ZINC000103171445 IJ Annotated Mild CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(=O)C(C)(C)C)n(C)n1 ZINC000103175088 IJ Annotated Mild CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(=O)[C@@H](C)CC)n(C)n1 ZINC000103175090 IJ Annotated Mild CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(=O)[C@H](C)CC)n(C)n1 ZINC000103175092 IJ Annotated Mild CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(=O)CC(C)C)n(C)n1 ZINC000103175098 IJ Annotated Mild COc1ccc(Oc2c(/C=N/OCc3cnc(Cl)s3)c(C(F)(F)F)nn2C)cc1 ZINC000103175660 IJ Annotated Mild Nc1nc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)cc(-c2ccc(O)cc2O)n1 ZINC000103176942 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Nc2ncc(N=O)c(OCC3CCCCC3)n2)cc1 ZINC000103177405 IJ Annotated Anodyne CCN(CC)C(=O)c1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1 ZINC000103177421 IJ Annotated Anodyne O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(OC(F)(F)F)c(F)c1Cl ZINC000103177577 IJ Annotated Anodyne O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(OC(F)(F)F)c(Cl)c1F ZINC000103177582 IJ Annotated Anodyne O=c1nc(-c2c(F)cccc2F)sn1-c1cc(Cl)c(OC(F)(F)F)cc1F ZINC000103177587 IJ Annotated Anodyne O=c1nc(-c2c(F)cccc2F)sn1-c1cc(F)c(OC(F)(F)F)cc1Cl ZINC000103177593 IJ Annotated Anodyne Cc1ccc(OCc2nnc(NC(=S)NC(=O)c3ccc(Cl)cc3)s2)c(C)c1 ZINC000103178357 IJ Annotated Anodyne Cc1nc(C(C)C)sc1C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103179320 IJ Annotated Mild CO/N=C(\c1ccccc1/C=N/O[C@@H](C)c1ccccc1C(F)(F)F)c1nccn1C ZINC000103180463 IJ Annotated Mild CO/N=C(\c1ccccc1/C=N/O[C@H](C)c1ccccc1C(F)(F)F)c1nccn1C ZINC000103180465 IJ Annotated Mild O=[N+]([O-])c1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3ccc(F)cc3s2)cc1 ZINC000103181838 IJ Annotated Bother Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C(C)(C)N(OC(=O)N(C)C)C2=O)c(C)c1 ZINC000103181931 IJ Annotated Mild COc1ccc2c(c1Br)CN1CN2Cc2c1ccc(OC)c2Br ZINC000103182923 IJ Annotated Clean C=CCn1c(=O)c([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3cc(C)oc(=O)c32)cc2ccccc21 ZINC000103184003 IJ Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CC(C)(C)CC3=O)Oc3cc(C)oc(=O)c32)cc2ccccc21 ZINC000103184006 IJ Annotated Mild Cc1ccc(O)c(C(=O)c2ccc(-c3cc4cc(Br)ccc4oc3=O)nc2)c1 ZINC000103184160 IJ Annotated Anodyne C[C@@H](O)CSc1nnc([C@@H](C)Oc2ccc(Oc3ncc(Cl)cc3F)cc2)o1 ZINC000103184924 IJ Annotated Anodyne C[C@H](O)CSc1nnc([C@@H](C)Oc2ccc(Oc3ncc(Cl)cc3F)cc2)o1 ZINC000103184926 IJ Annotated Anodyne COc1cc(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccc(C)cc2)ccc1O ZINC000103185984 IJ Annotated Mild COc1ccc(OC)c(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccccc2)c1 ZINC000103187151 IJ Annotated Mild COc1ccc(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccc(C)cc2)cc1 ZINC000103187161 IJ Annotated Mild COc1ccc(/C=N/N=c2\scc(-c3cc(O)ccc3O)n2-c2ccc(C)cc2)cc1O ZINC000103187213 IJ Annotated Mild COc1ccc(CCNC(=O)/C=C(/c2ccc(C)cc2)c2ccnc(Cl)c2)cc1OC ZINC000103187256 IJ Annotated Anodyne COc1ccc2nc(Oc3ccccc3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 ZINC000103187806 IJ Annotated Reactive COc1ccc2nc(Oc3ccccc3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 ZINC000103187808 IJ Annotated Reactive O=C(Nc1ccc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1)NC1CCCCC1 ZINC000103189365 IJ Annotated Anodyne CO/N=C(\c1ccccc1/C=N/O[C@@H](C)c1ccc(C(F)(F)F)cc1)c1nccn1C ZINC000103191109 IJ Annotated Mild CO/N=C(\c1ccccc1/C=N/O[C@H](C)c1ccc(C(F)(F)F)cc1)c1nccn1C ZINC000103191111 IJ Annotated Mild Cc1ccc([C@H]2SCC(=O)N2NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)o1 ZINC000103191556 IJ Annotated Anodyne Cc1ccc([C@@H]2SCC(=O)N2NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)o1 ZINC000103191558 IJ Annotated Anodyne Cc1ccc([C@H]2SCC(=O)N2NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)o1 ZINC000103191560 IJ Annotated Anodyne Cc1ccc([C@@H]2SCC(=O)N2NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)o1 ZINC000103191563 IJ Annotated Anodyne COc1ccc(/C=N/n2cnc3c(c2=N)[C@H](c2ccccc2)C2=C(CCCC2)N3)cc1OC ZINC000103191784 IJ Annotated Mild COc1ccc(/C=N/n2cnc3c(c2=N)[C@@H](c2ccccc2)C2=C(CCCC2)N3)cc1OC ZINC000103191787 IJ Annotated Mild COP(=O)(OC)[C@H](OC(=O)COc1ccc(Br)cc1)c1cccs1 ZINC000103192145 IJ Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Br)cc1)c1cccs1 ZINC000103192147 IJ Annotated Anodyne CO/N=C(\c1ccccc1/C=N/O[C@@H](C)c1cccc(C(F)(F)F)c1)c1nccn1C ZINC000103194329 IJ Annotated Mild CO/N=C(\c1ccccc1/C=N/O[C@H](C)c1cccc(C(F)(F)F)c1)c1nccn1C ZINC000103194333 IJ Annotated Mild CO/N=C(\c1ccccc1/C=N/O[C@@H](C)c1ccc(Br)cc1)c1nccn1C ZINC000103194337 IJ Annotated Mild CO/N=C(\c1ccccc1/C=N/O[C@H](C)c1ccc(Br)cc1)c1nccn1C ZINC000103194339 IJ Annotated Mild CO/N=C(\c1ccccc1/C=N/O[C@@H](C)c1ccc(OC(F)(F)F)cc1)c1nccn1C ZINC000103194346 IJ Annotated Mild CO/N=C(\c1ccccc1/C=N/O[C@H](C)c1ccc(OC(F)(F)F)cc1)c1nccn1C ZINC000103194349 IJ Annotated Mild CO/N=C(\c1ccccc1/C=N/N=C(/C)c1ccc(C(F)(F)F)cc1)c1nccn1C ZINC000103194435 IJ Annotated Mild CO/N=C(\c1ccccc1/C=N/N=C(/C)c1ccc(Cl)c(Cl)c1)c1nccn1C ZINC000103194438 IJ Annotated Mild O=C(CC(=O)c1ccc(NC(=S)c2ccc(O)cc2O)cc1)Nc1ccccc1Cl ZINC000103194525 IJ Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(CO/C(S)=N\c3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103195933 IJ Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(CO/C(S)=N\c3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103195936 IJ Annotated Reactive Cc1ccc2nc(Nn3c(-c4ccc([N+](=O)[O-])cc4)nnc3-c3cccnc3)sc2c1 ZINC000103195967 IJ Annotated Bother Cc1cccc2sc(Nn3c(-c4ccc([N+](=O)[O-])cc4)nnc3-c3cccnc3)nc12 ZINC000103195978 IJ Annotated Bother C[C@H](C(=O)N/N=C1\SCC(=O)N1Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200116 IJ Annotated Reactive C[C@@H](C(=O)N/N=C1\SCC(=O)N1Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000103200118 IJ Annotated Reactive COc1cc2c(cc1F)[C@]1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21 ZINC000103200171 IJ Annotated Anodyne COc1cc2c(cc1F)[C@@]1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21 ZINC000103200173 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CO2)C(=O)N(Cc2ccc(Cl)s2)c2ccccc21 ZINC000103200175 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CO2)C(=O)N(Cc2ccc(Cl)s2)c2ccccc21 ZINC000103200177 IJ Annotated Anodyne CC(=O)NC1=C(C#N)[C@H](c2ccc(Br)cc2)c2ccc3ccc(C)nc3c2O1 ZINC000103200334 IJ Annotated Reactive CC(=O)NC1=C(C#N)[C@@H](c2ccc(Br)cc2)c2ccc3ccc(C)nc3c2O1 ZINC000103200336 IJ Annotated Reactive Cc1ccc(S(=O)(=O)Oc2ccc(-c3nc4ccccc4c4nc(=S)[nH]n34)cc2)cc1 ZINC000103200473 IJ Annotated Anodyne COC(=O)/C(C#N)=C(\N[C@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)SC ZINC000103201020 IJ Annotated Reactive COC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)SC ZINC000103201023 IJ Annotated Reactive CCCOP(=O)(OCCC)[C@H](N/C(SC)=C(/C#N)C(=O)OCC)c1ccccc1 ZINC000103201039 IJ Annotated Reactive CCCOP(=O)(OCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCC)c1ccccc1 ZINC000103201041 IJ Annotated Reactive CCOC(=O)/C(C#N)=C(\N[C@@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)SC ZINC000103201045 IJ Annotated Reactive CCOC(=O)/C(C#N)=C(\N[C@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)SC ZINC000103201047 IJ Annotated Reactive O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([C@@H]2CC(c3ccc(F)cc3)=NO2)cc1 ZINC000103201076 IJ Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([C@H]2CC(c3ccc(F)cc3)=NO2)cc1 ZINC000103201078 IJ Annotated Anodyne CCCCOCc1cc(-c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)no1 ZINC000103202297 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2cc(O)cc(O)c2[C@@H]1Cc1ccc(Br)cc1 ZINC000103202412 IJ Annotated Clean CC(C)(C)OC(=O)N1CCc2cc(O)cc(O)c2[C@H]1Cc1ccc(Br)cc1 ZINC000103202414 IJ Annotated Clean O=C1N(c2ccccc2)c2ncnc(N3CCCCC3)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103202509 IJ Annotated Anodyne O=C1N(c2ccccc2)c2ncnc(N3CCCCC3)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103202513 IJ Annotated Anodyne O=C1N(c2ccccc2)c2ncnc(N3CCCCC3)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103202514 IJ Annotated Anodyne O=C1N(c2ccccc2)c2ncnc(N3CCCCC3)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103202517 IJ Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)c1ccccc1Br ZINC000103202915 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)c1ccccc1Br ZINC000103202916 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)c4ccccc4Br)[C@@H]3C[C@H]12 ZINC000103202918 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)c4ccccc4Br)[C@@H]3C[C@H]12 ZINC000103202919 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)c1cccc(Br)c1 ZINC000103202921 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)c1cccc(Br)c1 ZINC000103202923 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)c4cccc(Br)c4)[C@@H]3C[C@H]12 ZINC000103202924 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)c4cccc(Br)c4)[C@@H]3C[C@H]12 ZINC000103202926 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)c1ccc(Br)cc1 ZINC000103202984 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)c1ccc(Br)cc1 ZINC000103202986 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)c4ccc(Br)cc4)[C@@H]3C[C@H]12 ZINC000103202987 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)c4ccc(Br)cc4)[C@@H]3C[C@H]12 ZINC000103202990 IJ Annotated Mild CC1=NN(c2nc3ccc(Cl)cc3s2)C(=O)/C1=N/Nc1ccc(Br)cc1 ZINC000103203429 IJ Annotated Mild O=C(Nn1c(S)nnc1-c1cccc2ccccc12)c1ccc2cccc([N+](=O)[O-])c2c1 ZINC000103203537 IJ Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1cc(C)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000103205059 IJ Annotated Bother COP(=O)(OC)[C@H](OC(=O)COc1cc(C)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000103205061 IJ Annotated Bother COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000103205063 IJ Annotated Bother COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000103205064 IJ Annotated Bother CCCCN[C@H]1c2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)CN2C(=O)CC[C@@H]12 ZINC000103205339 IJ Annotated Bother CCCCN[C@@H]1c2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)CN2C(=O)CC[C@H]12 ZINC000103205342 IJ Annotated Bother CCCCN[C@@H]1c2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)CN2C(=O)CC[C@@H]12 ZINC000103205344 IJ Annotated Bother CCCCN[C@H]1c2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)CN2C(=O)CC[C@H]12 ZINC000103205348 IJ Annotated Bother Cc1ccc(NC(=S)N/N=C2\C(=O)N(Cc3ccc(F)cc3)c3ccc(F)cc32)cc1 ZINC000103206057 IJ Annotated Mild C[C@@]12CCCC(COC(=O)c3cccc(Br)c3)=C1C(=O)O[C@H]2c1ccoc1 ZINC000103206707 IJ Annotated Anodyne C[C@@]12CCCC(COC(=O)c3ccc(Br)cc3)=C1C(=O)O[C@H]2c1ccoc1 ZINC000103206709 IJ Annotated Anodyne C[C@@H](C(=O)Nc1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2F)N=C1c1ccc(F)cc1 ZINC000103207145 IJ Annotated Anodyne C[C@H](C(=O)Nc1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2F)N=C1c1ccc(F)cc1 ZINC000103207146 IJ Annotated Anodyne N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 ZINC000103208282 IJ Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 ZINC000103208285 IJ Annotated Reactive Cc1cc(Br)cc(C(=O)NNCc2ccccc2)c1NC(=O)CC(C)(C)C ZINC000103208750 IJ Annotated Reactive Cc1cc(Cl)cc(C(=O)NNCc2ccccc2Cl)c1NC(=O)C(C)(C)CCl ZINC000103208893 IJ Annotated Reactive Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2)cc1Cl ZINC000103212330 IJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2)cc1Cl ZINC000103212331 IJ Annotated Anodyne CCCOP(=O)(OCCC)[C@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 ZINC000103212480 IJ Annotated Reactive CCCOP(=O)(OCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 ZINC000103212482 IJ Annotated Reactive CCN(C(=O)C(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2)c1ccccc1 ZINC000103214956 IJ Annotated Anodyne O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CCCN1 ZINC000103215462 IJ Annotated Anodyne O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2)CCCN1 ZINC000103215464 IJ Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000103215511 IJ Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000103215513 IJ Annotated Anodyne CN(C)/C=N/c1c(C=O)c(-c2ccc(Cl)cc2)nn1-c1ccc(Br)cc1 ZINC000103215929 IJ Annotated Mild CC(C)(C)n1ncc(OCc2nnc(-c3cc(F)c(Cl)cc3Cl)o2)c(Cl)c1=O ZINC000103215971 IJ Annotated Anodyne O=C(COc1ccc2ccccc2c1)Nn1c(S)nnc1-c1cccc2ccccc12 ZINC000103216369 IJ Annotated Anodyne C[C@]1(c2ccccc2)CC(c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)=NO1 ZINC000103216811 IJ Annotated Anodyne C[C@@]1(c2ccccc2)CC(c2ccc(NC(=O)NC(=O)c3c(F)cccc3F)cc2)=NO1 ZINC000103216813 IJ Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(C(F)(F)F)C(F)(F)F)cc1 ZINC000103219633 IJ Annotated Mild Cc1ccc([C@@H](C(=O)NC(C)C)N(C(=O)c2nnsc2C)c2ccc(C)c(F)c2)cc1 ZINC000103220587 IJ Annotated Anodyne Cc1ccc([C@H](C(=O)NC(C)C)N(C(=O)c2nnsc2C)c2ccc(C)c(F)c2)cc1 ZINC000103220589 IJ Annotated Anodyne Cc1cc(C)c(CC(=O)OC2=C(c3cc(C)ccc3C)C(=O)NC23CCC(=O)CC3)c(C)c1 ZINC000103220645 IJ Annotated Anodyne CCn1cc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(=O)c2ccc(C)nc21 ZINC000103220890 IJ Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(C(C)(C)C)cc2)no1)C(C)C ZINC000103220929 IJ Annotated Reactive CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1OC(=O)COc1cccc2cccnc12 ZINC000103221155 IJ Annotated Anodyne COc1cccc2ccc(C(=O)O[C@@H]3CC[C@]4(C)C(=C3C)C(=O)O[C@H]4c3ccoc3)nc12 ZINC000103221157 IJ Annotated Anodyne CCCCOC(=O)c1cccc2nc3c(NC(=O)CCCCl)c([N+](=O)[O-])ccc3nc12 ZINC000103221467 IJ Annotated Reactive C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000103221897 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000103221901 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)/C=C/c4ccc(OC)c(OC)c4)[C@@H]3C[C@H]12 ZINC000103221904 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)/C=C/c4ccc(OC)c(OC)c4)[C@@H]3C[C@H]12 ZINC000103221907 IJ Annotated Mild Cc1cccc([C@@H](C(=O)NC(C)C)N(C(=O)c2nnsc2C)c2ccc(C)c(F)c2)c1 ZINC000103222115 IJ Annotated Anodyne Cc1cccc([C@H](C(=O)NC(C)C)N(C(=O)c2nnsc2C)c2ccc(C)c(F)c2)c1 ZINC000103222117 IJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2C)cc1F ZINC000103222120 IJ Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2C)cc1F ZINC000103222123 IJ Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 ZINC000103222902 IJ Annotated Reactive CCCCOP(=O)(OCCCC)[C@@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1 ZINC000103222906 IJ Annotated Reactive Ic1ccc(C2=NN[C@H](c3ccc(N4CCCCC4)cc3)C2)s1 ZINC000103223540 IJ Annotated Clean Ic1ccc(C2=NN[C@@H](c3ccc(N4CCCCC4)cc3)C2)s1 ZINC000103223544 IJ Annotated Clean C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)Cc1ccc(Br)cc1 ZINC000103223753 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)Cc1ccc(Br)cc1 ZINC000103223757 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)Cc4ccc(Br)cc4)[C@@H]3C[C@H]12 ZINC000103223760 IJ Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)Cc4ccc(Br)cc4)[C@@H]3C[C@H]12 ZINC000103223763 IJ Annotated Mild CCn1c(=S)sc2c(=O)n(-c3ccc(OC)cc3)c(Nc3ccc(OC)cc3)nc21 ZINC000103223839 IJ Annotated Anodyne N#CC(=C\c1ccc(Cl)cc1)/C=C1\SC(=S)N(c2ccc(C(=O)O)cc2)C1=O ZINC000103228454 IJ Annotated Reactive O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccccc1Br ZINC000103228883 IJ Annotated Reactive O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1cccc(Br)c1 ZINC000103228885 IJ Annotated Reactive O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccc(Br)cc1 ZINC000103228887 IJ Annotated Reactive CCc1ccc(/C=C(C#N)/C=C2\SC(=S)N(c3ccc(CC(=O)O)cc3)C2=O)cc1 ZINC000103229544 IJ Annotated Reactive O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3cc(F)c2n1Cc1cc(F)ccc1F ZINC000103230384 IJ Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(F)ccc1F ZINC000103230386 IJ Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1ccc2nc[nH]c2c1 ZINC000103230389 IJ Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c(-n4cc(-c5ccc(Cl)cc5)cn4)ccc(c23)C1=O ZINC000103230873 IJ Annotated Anodyne CNC(=O)COc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C ZINC000103231085 IJ Annotated Anodyne CC(C)(C)C(=O)Nc1nnc(-c2ccc(NCc3ccc(F)cc3F)c([N+](=O)[O-])c2)s1 ZINC000103231251 IJ Annotated Bother COc1ccc(CCC(=O)c2c(O)c(CC=C(C)C)c3c(c2O)C[C@@H](O)C(C)(C)O3)cc1 ZINC000103233423 IJ Annotated Anodyne COc1ccc(CCC(=O)c2c(O)c(CC=C(C)C)c3c(c2O)C[C@H](O)C(C)(C)O3)cc1 ZINC000103233425 IJ Annotated Anodyne COc1cc(OC)c(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NCCc1ccc(O)cc1 ZINC000103234453 IJ Annotated Anodyne NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(Cl)cc3)c(Br)o2)c1F ZINC000103234519 IJ Annotated Anodyne COc1cc(NS(=O)(=O)C2(c3ccc(Cl)cc3)CC2)ccc1-n1cnc(Cl)c1 ZINC000103235389 IJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@@H](c3ccc(OC)cc3)C23C(=O)Nc2ccccc23)cc1 ZINC000103235988 IJ Annotated Anodyne COc1ccc(C2=NO[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000103236572 IJ Annotated Anodyne COc1ccc(C2=NO[C@@]3(C(=O)Nc4cc(Br)ccc43)[C@@H]2c2ccccc2)cc1 ZINC000103236576 IJ Annotated Anodyne CC(C)(O)c1cc(-c2nc(NCCc3ccc(F)cc3)nc(OCF)n2)ccc1Cl ZINC000103237167 IJ Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=N2)Sc2ccccc21 ZINC000103238755 IJ Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=N2)Sc2ccccc21 ZINC000103238757 IJ Annotated Mild Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@@H](c1ccccc1O)NC(N)=N2 ZINC000103238785 IJ Annotated Clean Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@H](c1ccccc1O)NC(N)=N2 ZINC000103238786 IJ Annotated Clean Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@@H](c1cccc(O)c1)NC(N)=N2 ZINC000103238789 IJ Annotated Anodyne Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@H](c1cccc(O)c1)NC(N)=N2 ZINC000103238791 IJ Annotated Anodyne Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@@H](c1ccc(O)cc1)NC(N)=N2 ZINC000103238794 IJ Annotated Anodyne Cc1nn(-c2ccc3c(c2)Nc2ccccc2S3)c2c1[C@H](c1ccc(O)cc1)NC(N)=N2 ZINC000103238796 IJ Annotated Anodyne O=c1[nH]ccc2c(Nc3c(Cl)cc([C@H](O)C(F)F)cc3Cl)nc3ccncc3c12 ZINC000103239771 IJ Annotated Bother O=c1[nH]ccc2c(Nc3c(Cl)cc([C@@H](O)C(F)F)cc3Cl)nc3ccncc3c12 ZINC000103239774 IJ Annotated Bother COc1ccc(C[C@H]2COc3ccccc3CN2Cc2ccc(OCCN(C)C)cc2)cc1 ZINC000103241351 IJ Annotated Anodyne CN(C)c1ccc(/C=C2\COc3ccc(Br)cc3C2=O)cc1Br ZINC000103242813 IJ Annotated Mild CCOC(=O)C(C)(C)Oc1ccc(N(CC2CC2)C(=O)Nc2ncc(Cl)s2)cc1 ZINC000103243992 IJ Annotated Anodyne COc1c(C(=O)N[C@H]2CCCC[C@@H]2O)cc(Cc2ccc(SC)nc2)c2ccccc12 ZINC000103245356 IJ Annotated Anodyne CNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000103246794 IJ Annotated Anodyne COc1ccc2c(c1O)CCCC(CCN(C)C)=C2c1cc(OC)c(OC)c(OC)c1 ZINC000103247663 IJ Annotated Anodyne CCc1ccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)cc1 ZINC000103247805 IJ Annotated Bother O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000103247917 IJ Annotated Anodyne C=C(C(=O)OCc1cn(Cc2ccccc2C)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248211 IJ Annotated Mild C=C(C(=O)OCc1cn(Cc2cccc(C)c2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248212 IJ Annotated Mild C=C(C(=O)OCc1cn(Cc2ccc(C)cc2)nn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000103248215 IJ Annotated Mild Cc1cc(C)nc(Nc2nnc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)s2)c1 ZINC000103254399 IJ Annotated Anodyne N#Cc1ccc(-c2cn(CCCCCn3cccc(O)c3=S)nn2)cc1C(F)(F)F ZINC000103255714 IJ Annotated Mild CC(C)CC[C@H](O)[C@@H](C)COCc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC000103258412 IJ Annotated Anodyne O=C1[C@H]2C[C@@H]2C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NN1c1ccc(F)cc1 ZINC000103260476 IJ Annotated Anodyne O=C1[C@@H]2C[C@@H]2C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NN1c1ccc(F)cc1 ZINC000103260479 IJ Annotated Anodyne O=C1[C@H]2C[C@H]2C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NN1c1ccc(F)cc1 ZINC000103260480 IJ Annotated Anodyne O=C1[C@@H]2C[C@H]2C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NN1c1ccc(F)cc1 ZINC000103260484 IJ Annotated Anodyne CCCCCCn1cc(Cn2nc(N)c3c(C(F)(F)F)cc(-c4ccccc4)nc32)nn1 ZINC000103261091 IJ Annotated Anodyne Cc1ccc(-n2cc(Cn3nc(N)c4c(C(F)(F)F)cc(-c5ccccc5)nc43)nn2)cc1 ZINC000103261115 IJ Annotated Anodyne CNc1nc(NCCCN(C)C)c2sc(-c3cccc(OC(F)(F)F)c3)cc2n1 ZINC000103263073 IJ Annotated Anodyne CNc1nc(NCCCN(C)C)c2sc(-c3ccc(OC(F)(F)F)cc3)cc2n1 ZINC000103263075 IJ Annotated Anodyne Cc1ccc([C@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)on3)[C@@H](CC(C)C)C(=O)N2)s1 ZINC000103264326 IJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(SCCCCCBr)[nH]c21 ZINC000103264511 IJ Annotated Reactive O=C(O)c1cnn(-c2nc(N3CCCC3)c3cc(Oc4ccc(Cl)cc4)ccc3n2)c1 ZINC000103265057 IJ Annotated Anodyne Cc1ccc([C@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)on3)[C@@H](CC(C)C)C(=O)N2)cc1 ZINC000103265408 IJ Annotated Anodyne Cc1ccccc1[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 ZINC000103265410 IJ Annotated Anodyne Cc1ncsc1Cn1ccc(C(F)(F)F)c(Oc2cc(Cl)cc(C#N)c2)c1=O ZINC000103265920 IJ Annotated Mild N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c4ncccc34)c2=O)c1 ZINC000103265934 IJ Annotated Mild N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c4cnccc34)c2=O)c1 ZINC000103265940 IJ Annotated Mild CC(F)(F)c1ccn(Cc2n[nH]c3ncccc23)c(=O)c1Oc1cc(Cl)cc(C#N)c1 ZINC000103265945 IJ Annotated Mild COc1cc(OC)c2c(-c3ccc(Cl)cc3)c(C(=O)c3nnc(N(C)C)s3)[nH]c2c1 ZINC000103266720 IJ Annotated Anodyne O=C1C(=O)c2ccccc2C2=C1[C@H](c1ccccc1)c1c(-c3ccc([N+](=O)[O-])cc3)n[nH]c1N2 ZINC000103266859 IJ Annotated Mild O=C1C(=O)c2ccccc2C2=C1[C@@H](c1ccccc1)c1c(-c3ccc([N+](=O)[O-])cc3)n[nH]c1N2 ZINC000103266863 IJ Annotated Mild Cc1ccsc1[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 ZINC000103267033 IJ Annotated Anodyne COc1ccc(-c2cncc3nc4ccc(-c5ccc(N6CCN(C)CC6)cc5)cc4n23)cc1 ZINC000103267724 IJ Annotated Anodyne O=C(NCC1(CO)CCCCC1)c1nc2c(-c3ccccc3)cccc2n1CC(F)(F)F ZINC000103268379 IJ Annotated Anodyne COc1cc([C@@H]2c3ccc(O)cc3Oc3nc4c(c(N)c32)CCCC4)cc(OC)c1OC ZINC000103268658 IJ Annotated Anodyne COc1cc([C@H]2c3ccc(O)cc3Oc3nc4c(c(N)c32)CCCC4)cc(OC)c1OC ZINC000103268659 IJ Annotated Anodyne O=C(NCC1(CO)CCCC1)c1nc2c(-c3ccccc3)cccc2n1CC(F)(F)F ZINC000103269049 IJ Annotated Anodyne O=[N+]([O-])c1cnc2ccc(Br)cc2c1-n1cc(CSc2ccccc2)nn1 ZINC000103271667 IJ Annotated Bother O=C1[C@H]([C@H](O)c2ccc3c(c2)OC[C@H](c2ccccc2)O3)CCCN1Cc1ccccc1 ZINC000103271808 IJ Annotated Anodyne O=C1[C@H]([C@@H](O)c2ccc3c(c2)OC[C@H](c2ccccc2)O3)CCCN1Cc1ccccc1 ZINC000103271811 IJ Annotated Anodyne CC(=O)OCCOc1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1OC2 ZINC000103271962 IJ Annotated Anodyne CO/N=C(/c1ccc([N+](=O)[O-])cc1)c1ccccc1COc1ccc(C(F)(F)F)cn1 ZINC000103274818 IJ Annotated Mild CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)Nn1c(-c3ccccc3)nc3ccccc3c1=O)C2 ZINC000103275170 IJ Annotated Reactive CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C)cc3)cc2)c1Br ZINC000103275536 IJ Annotated Anodyne Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccc(N(C)C)cc3)o2)cc1 ZINC000103277415 IJ Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1/C=N/O ZINC000103277870 IJ Annotated Mild COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1/C=N/O ZINC000103277873 IJ Annotated Mild COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C#N ZINC000103277876 IJ Annotated Reactive COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(Cl)cc(Cl)c2)C=C1C#N ZINC000103277879 IJ Annotated Reactive C=C1CN(C(C)(C)c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C(=O)OC)c1ccccc1F ZINC000103277885 IJ Annotated Mild C=C1CN(C(C)(C)c2cc(Cl)cc(Cl)c2)C(=O)[C@]1(C(=O)OC)c1ccccc1F ZINC000103277888 IJ Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=S)N[C@H]2c1cc2ccccc2[nH]c1=O ZINC000103277953 IJ Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=S)N[C@@H]2c1cc2ccccc2[nH]c1=O ZINC000103277955 IJ Annotated Mild Cc1ccc2[nH]c(=O)c([C@H]3NC(=S)N(c4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000103277964 IJ Annotated Mild Cc1ccc2[nH]c(=O)c([C@@H]3NC(=S)N(c4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000103277966 IJ Annotated Mild COc1cc(N2C(=S)SC[C@]2(O)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000103278322 IJ Annotated Anodyne COc1cc(N2C(=S)SC[C@@]2(O)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000103278324 IJ Annotated Anodyne O=C(CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1)N1CCCCC1 ZINC000103278464 IJ Annotated Anodyne O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl ZINC000103278479 IJ Annotated Bother COc1ccc(-c2nnc(-n3c(/C=C/c4ccc(C)cc4)nc4ccccc4c3=O)o2)cc1 ZINC000103278739 IJ Annotated Anodyne CN(C)c1ccc(-c2nnc(-n3c(/C=C/c4ccccc4)nc4ccccc4c3=O)o2)cc1 ZINC000103278746 IJ Annotated Anodyne CC(C)(C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103278968 IJ Annotated Reactive CC(C)(C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103278970 IJ Annotated Reactive CC[C@@H](C)c1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(C)=O)n(C)n1 ZINC000103280542 IJ Annotated Mild CC[C@H](C)c1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(C)=O)n(C)n1 ZINC000103280544 IJ Annotated Mild CCCCc1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(C)=O)n(C)n1 ZINC000103280550 IJ Annotated Mild CCOP(=O)(CCCCn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1)OCC ZINC000103281654 IJ Annotated Anodyne Fc1ccc(-c2n[nH]cc2/C=N/n2c(OCc3ccccc3Cl)n[nH]c2=S)cc1 ZINC000103281894 IJ Annotated Mild CCCCNC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000103282168 IJ Annotated Clean COCC1=CN(C(C)(C)c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C(=O)OC)c1ccccc1 ZINC000103283085 IJ Annotated Anodyne COCC1=CN(C(C)(C)c2cc(Cl)cc(Cl)c2)C(=O)[C@]1(C(=O)OC)c1ccccc1 ZINC000103283086 IJ Annotated Anodyne O=C(O)c1cnc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)c1 ZINC000103284574 IJ Annotated Bother O=[N+]([O-])c1cnc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)c1 ZINC000103284577 IJ Annotated Bother CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)OCC)C1CC(=O)c1ccc(OC)cc1 ZINC000103286554 IJ Annotated Anodyne CCCC(=O)N(CCOc1ccc(CCOCC)cc1C)C(=O)c1c(Cl)c(C)cn1C ZINC000103287073 IJ Annotated Anodyne CCCN(CC)C(=O)c1cn(C)nc1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103289031 IJ Annotated Anodyne Cc1nc(-c2ccccc2)c(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)o1 ZINC000103290137 IJ Annotated Anodyne COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(O[C@@H](C)C(=O)NN)cc1 ZINC000103290431 IJ Annotated Reactive COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(O[C@H](C)C(=O)NN)cc1 ZINC000103290432 IJ Annotated Reactive C/C(=N\NC(=O)c1c(N)sc2c1CCCC2)c1cc2c(ccc3ccccc32)oc1=O ZINC000103291490 IJ Annotated Reactive C/C(=N\NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000103291514 IJ Annotated Reactive COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(O[C@@H](C)C(=O)NN)cc1 ZINC000103293141 IJ Annotated Reactive COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@@H]2c1ccc(O[C@H](C)C(=O)NN)cc1 ZINC000103293143 IJ Annotated Reactive COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(O[C@@H](C)C(=O)NN)cc1 ZINC000103293155 IJ Annotated Reactive COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(O[C@H](C)C(=O)NN)cc1 ZINC000103293156 IJ Annotated Reactive Cc1cc(NC(=S)c2ccc(O)cc2O)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000103293481 IJ Annotated Anodyne CNC(=O)N(OC)c1ccccc1COc1cc(C(F)(F)F)nc(Nc2ccccc2)n1 ZINC000103294440 IJ Annotated Anodyne CC(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)on1)/C(Cl)=N\Nc1ccc(F)cc1 ZINC000103295388 IJ Annotated Reactive COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1C)C(Cl)(Cl)Cl ZINC000103296730 IJ Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1C)C(Cl)(Cl)Cl ZINC000103296732 IJ Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)c(C)c1)C(Cl)(Cl)Cl ZINC000103296735 IJ Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)c(C)c1)C(Cl)(Cl)Cl ZINC000103296737 IJ Annotated Anodyne COP(=O)(OC)[C@@H](OC(=O)COc1cc(C)ccc1Cl)C(Cl)(Cl)Cl ZINC000103296740 IJ Annotated Anodyne COP(=O)(OC)[C@H](OC(=O)COc1cc(C)ccc1Cl)C(Cl)(Cl)Cl ZINC000103296743 IJ Annotated Anodyne CCCCc1ccc(C(=O)NC[C@@H]2C[C@@H]3c4cccc5c4c(cn5C)C[C@H]3N(C)C2)cc1 ZINC000103297501 IJ Annotated Clean CN1C[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000103297521 IJ Annotated Clean C=CC(=O)N1CCc2c(sc3ncnc(Nc4ccc(Br)c(C)c4)c23)C1 ZINC000103297807 IJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)Cc2cccc3c(=O)c4ccc(C)c(C)c4oc23)cc1 ZINC000103299298 IJ Annotated Bother COc1ccc2ccc(Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)cc2n1 ZINC000103302866 IJ Annotated Anodyne Fc1ccc([C@@H](F)COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F ZINC000103302920 IJ Annotated Anodyne Fc1ccc([C@H](F)COc2cncc3nnc(-c4ccc(OC(F)F)cc4)n23)cc1F ZINC000103302922 IJ Annotated Anodyne Cc1ncc(OCCc2ccc(F)c(F)c2)n2c(-c3ccc(OC(F)F)cc3)nnc12 ZINC000103303089 IJ Annotated Anodyne Fc1ccc(-c2cnn(-c3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)c2)cc1F ZINC000103303381 IJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccccc2)C(=C(/O)OCC)/C(=N/c2ccc(C)cc2)C[C@@]1(C)O ZINC000103350378 IJ Annotated Mild COc1ccc([C@@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)cc1Br ZINC000103531188 IJ Annotated Anodyne COc1ccc([C@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)cc1Br ZINC000103531194 IJ Annotated Anodyne CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(Br)ccc1OC ZINC000103531199 IJ Annotated Anodyne CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(Br)ccc1OC ZINC000103531205 IJ Annotated Anodyne COc1ccccc1C/N=C/C1=C(O)c2sccc2N(Cc2ccccc2)S1(=O)=O ZINC000103531459 IJ Annotated Mild COc1cc(Br)ccc1[C@@H]1/C(=C(\O)OC2CCCCC2)C(C)=Nc2ncnn21 ZINC000103531524 IJ Annotated Anodyne COc1cc(Br)ccc1[C@H]1/C(=C(\O)OC2CCCCC2)C(C)=Nc2ncnn21 ZINC000103531529 IJ Annotated Anodyne COc1c(O)c(C2(c3cnc[cH-]3)CCCC2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533384 IJ Annotated Anodyne in-vitro biogenic COc1c(O)c(C2(c3cnc[cH-]3)CCCCC2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533390 IJ Annotated Anodyne in-vitro biogenic O=S1(=O)C(/C=N/CCc2ccccc2)=C(O)c2sccc2N1Cc1cccc(F)c1 ZINC000103537177 IJ Annotated Mild O=S1(=O)C(/C=N/c2cccnc2)=C(O)c2sccc2N1Cc1ccc(Cl)cc1 ZINC000103537223 IJ Annotated Mild O=S1(=O)C(/C=N/Cc2ccc(F)cc2)=C(O)c2sccc2N1Cc1ccccc1 ZINC000103537242 IJ Annotated Mild CCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000103539460 IJ Annotated Anodyne CCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000103539464 IJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCCCC2)cc(Cl)c1O ZINC000103539667 IJ Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCCCC2)cc(Cl)c1O ZINC000103539671 IJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccn2)ccc1O ZINC000103540118 IJ Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2ccccn2)ccc1O ZINC000103540123 IJ Annotated Anodyne COc1cc(OC)cc(-c2nc3n(n2)[C@@H](c2ccncc2)C2=C(O)CC(C)(C)CC2=N3)c1 ZINC000103541769 IJ Annotated Anodyne COc1cc(OC)cc(-c2nc3n(n2)[C@H](c2ccncc2)C2=C(O)CC(C)(C)CC2=N3)c1 ZINC000103541773 IJ Annotated Anodyne COc1ccc(-c2nc3n(n2)[C@H](c2cc(OC)ccc2OC)C2=C(O)CCCC2=N3)cc1 ZINC000103541852 IJ Annotated Anodyne COc1ccc(-c2nc3n(n2)[C@@H](c2cc(OC)ccc2OC)C2=C(O)CCCC2=N3)cc1 ZINC000103541861 IJ Annotated Anodyne C=CCO/C(O)=C1\C(C)=NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccco1 ZINC000103542124 IJ Annotated Reactive C=CCO/C(O)=C1\C(C)=NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccco1 ZINC000103542129 IJ Annotated Reactive CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1OC ZINC000103543994 IJ Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000103543999 IJ Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1OC ZINC000103544099 IJ Annotated Mild CCCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000103544104 IJ Annotated Mild COc1ccc(CO/C(O)=C2\C(C)=NC3=C(C(=O)CCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000103544729 IJ Annotated Mild COc1ccc(CO/C(O)=C2\C(C)=NC3=C(C(=O)CCC3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000103544738 IJ Annotated Mild CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000103584964 IJ Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000103584967 IJ Annotated Anodyne COc1cc(-c2nc3n(n2)[C@H](c2ccccc2)C2=C(O)CCCC2=N3)cc(OC)c1OC ZINC000103632905 IJ Annotated Anodyne COc1cc(-c2nc3n(n2)[C@@H](c2ccccc2)C2=C(O)CCCC2=N3)cc(OC)c1OC ZINC000103632909 IJ Annotated Anodyne COc1cc([C@@H]2/C(=C(\O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc(OC)c1OC ZINC000103657815 IJ Annotated Anodyne COc1cc([C@H]2/C(=C(\O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc(OC)c1OC ZINC000103657818 IJ Annotated Anodyne CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000103670978 IJ Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000103670983 IJ Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000103671045 IJ Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000103671051 IJ Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103868620 IJ Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103868627 IJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103868632 IJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103868641 IJ Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c1 ZINC000103872691 IJ Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c1 ZINC000103872693 IJ Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(C)n2)c1OC ZINC000103872811 IJ Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(C)n2)c1OC ZINC000103872817 IJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1O ZINC000103895245 IJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1O ZINC000103895249 IJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1O ZINC000103895252 IJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1O ZINC000103895255 IJ Annotated Anodyne C=CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)cc1OC ZINC000103895672 IJ Annotated Mild C=CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)cc1OC ZINC000103895678 IJ Annotated Mild COc1cc([C@@H]2C3=C(CCCC3=O)N=C3C2=C(C)NN3c2cccc(C)c2)cc(OC)c1O ZINC000103917656 IJ Annotated Mild COC(=O)COc1ccc(Cl)cc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OC ZINC000103933024 IJ Annotated Anodyne COC(=O)COc1ccc(Cl)cc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OC ZINC000103933029 IJ Annotated Anodyne Cc1cc(-n2c(SC/C(O)=N/Cc3cccs3)nc3nncc-3c2O)ccc1Cl ZINC000103934117 IJ Annotated Anodyne Cc1ccccc1CSc1nc2nncc-2c(N)n1-c1ccc(Br)cc1 ZINC000103934125 IJ Annotated Anodyne Cc1ccc(-n2c(SC/C(O)=N/Cc3cccs3)nc3nncc-3c2O)cc1Cl ZINC000103934477 IJ Annotated Anodyne COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2Cl)OCO3)C[C@H]1C ZINC000103946843 IJ Annotated Anodyne COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2Cl)OCO3)C[C@@H]1C ZINC000103946848 IJ Annotated Anodyne COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2Cl)OCO3)C[C@H]1C ZINC000103946853 IJ Annotated Anodyne COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2Cl)OCO3)C[C@@H]1C ZINC000103946859 IJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nc(O)c32)cc1OC ZINC000103948635 IJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nc(O)c32)cc1OC ZINC000103948639 IJ Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000103954891 IJ Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000103954897 IJ Annotated Anodyne COc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)cc(C)cc23)c(Br)c1 ZINC000103960206 IJ Annotated Clean COc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)cc(OC)c1OC ZINC000103966398 IJ Annotated Clean Nc1c2cnnc-2nc(SCc2cccc(F)c2)n1-c1ccc(Br)cc1 ZINC000103968883 IJ Annotated Anodyne Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nc3nncc-3c2O)cc1Cl ZINC000103969082 IJ Annotated Anodyne Oc1c2cnnc-2nc(SCc2cccc(F)c2)n1-c1ccc(Br)cc1 ZINC000103970704 IJ Annotated Anodyne COc1ccc(N/N=C2/C=CC(=O)C(P(=O)(c3ccccc3)c3ccccc3)=C2)cc1 ZINC000103980558 IJ Annotated Reactive CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103993298 IJ Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000103993302 IJ Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000103993323 IJ Annotated Mild C=CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000103993327 IJ Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000103993474 IJ Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000103993479 IJ Annotated Mild CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000103995361 IJ Annotated Mild CCSCCO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000103995365 IJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)ccc1OC ZINC000103995609 IJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)ccc1OC ZINC000103995615 IJ Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2Br)C2=C(O)CCCC2=N1 ZINC000103995685 IJ Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2Br)C2=C(O)CCCC2=N1 ZINC000103995688 IJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2Br)C2=C(O)CCCC2=N1 ZINC000103995693 IJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2Br)C2=C(O)CCCC2=N1 ZINC000103995701 IJ Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cc3c(cc2Cl)OCO3)C2=C(O)CCCC2=N1 ZINC000103996572 IJ Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(O)CCCC2=N1 ZINC000103996579 IJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cc3c(cc2Cl)OCO3)C2=C(O)CCCC2=N1 ZINC000103996585 IJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cc3c(cc2Cl)OCO3)C2=C(O)CCCC2=N1 ZINC000103996590 IJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Cl)c1O ZINC000103997421 IJ Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc(Cl)c1O ZINC000103997423 IJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc(Cl)c1O ZINC000103997428 IJ Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc(Cl)c1O ZINC000103997433 IJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCOC(C)C)cc1O ZINC000103997840 IJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OCCOC(C)C)cc1O ZINC000103997845 IJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cccnc2)C2=C(O)CCCC2=N1 ZINC000104004391 IJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cccnc2)C2=C(O)CCCC2=N1 ZINC000104004396 IJ Annotated Anodyne Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccnc2)cc1 ZINC000104005991 IJ Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccnc2)cc1 ZINC000104005994 IJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000104007797 IJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000104007803 IJ Annotated Mild CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)c(C)c1 ZINC000104009575 IJ Annotated Mild CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000104009579 IJ Annotated Mild COC1=CC(=O)/C(=C2/C(c3csc(C)n3)=C(C(F)(F)F)NN2c2ccccc2)C=C1 ZINC000104019120 IJ Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OC)c(OC)c1 ZINC000104019786 IJ Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OC)c(OC)c1 ZINC000104019795 IJ Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(O)c(Br)c1 ZINC000104027230 IJ Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(O)c(Br)c1 ZINC000104027234 IJ Annotated Mild CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cnc3ccccc3n2)C2=C(O)CCCC2=N1 ZINC000104035885 IJ Annotated Anodyne CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cnc3ccccc3n2)C2=C(O)CCCC2=N1 ZINC000104035890 IJ Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccc2c(c1)OCO2 ZINC000104038807 IJ Annotated Anodyne CCSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccc2c(c1)OCO2 ZINC000104038812 IJ Annotated Anodyne CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000104056732 IJ Annotated Bother CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000104056736 IJ Annotated Bother CC1=Nc2ncnn2[C@H](c2cc(Br)ccc2F)/C1=C(\O)OC1CCCCC1 ZINC000104060307 IJ Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2cc(Br)ccc2F)/C1=C(\O)OC1CCCCC1 ZINC000104060310 IJ Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000104070710 IJ Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Br)OCO2 ZINC000104070714 IJ Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OCC)c1 ZINC000104071127 IJ Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000104071130 IJ Annotated Mild COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)ccc1O ZINC000104075612 IJ Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)ccc1O ZINC000104075616 IJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)ccc1O ZINC000104075619 IJ Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)ccc1O ZINC000104075622 IJ Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCSCC)ccc1O ZINC000104075855 IJ Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OCCSCC)ccc1O ZINC000104075859 IJ Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000104075932 IJ Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000104075935 IJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000104075937 IJ Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(Br)c2)C2=C(O)CCCC2=N1 ZINC000104075939 IJ Annotated Anodyne O=C(CSc1n[nH]c2c3ccccc3nc-2n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000104083583 IJ Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1OC ZINC000104083762 IJ Annotated Mild CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1OC ZINC000104083765 IJ Annotated Mild COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 ZINC000104083807 IJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 ZINC000104083811 IJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 ZINC000104083815 IJ Annotated Anodyne COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 ZINC000104083820 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(C)o1 ZINC000104111608 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(C)o1 ZINC000104111613 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@@H]2c1ccc(C)o1 ZINC000104111619 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCCC1)[C@H]2c1ccc(C)o1 ZINC000104111622 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(C)o1 ZINC000104111699 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(C)o1 ZINC000104111704 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(C)o1 ZINC000104111710 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(C)o1 ZINC000104111714 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(C)s1 ZINC000104112369 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(C)s1 ZINC000104112375 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(C)s1 ZINC000104112383 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(C)s1 ZINC000104112389 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccccc1C ZINC000104114081 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccccc1C ZINC000104114086 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccccc1C ZINC000104114092 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccccc1C ZINC000104114100 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(C)cc1 ZINC000104114235 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(C)cc1 ZINC000104114240 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(C)cc1 ZINC000104114246 IJ Annotated Mild COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(C)cc1 ZINC000104114251 IJ Annotated Mild CCCCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cccc(Br)c1 ZINC000104116230 IJ Annotated Mild CCCCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cccc(Br)c1 ZINC000104116235 IJ Annotated Mild CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)C[C@H]2[C@@H](C1)[C@@H]1[C@@H](C[C@H]2O)C1(C)C ZINC000104359823 IJ Annotated Anodyne in-man CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)C[C@H]2[C@@H](C1)[C@@H]1[C@@H](C[C@H]2O)C1(C)C ZINC000104359826 IJ Annotated Anodyne in-man endogenous CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)C[C@H]2[C@@H](C1)[C@@H]1[C@@H](C[C@H]2O)C1(C)C ZINC000104359831 IJ Annotated Anodyne in-man CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)C[C@H]2[C@@H](C1)[C@@H]1[C@@H](C[C@H]2O)C1(C)C ZINC000104359836 IJ Annotated Anodyne in-man C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104495324 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104495330 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104495336 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104495339 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104581512 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104581514 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104581516 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104581518 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104581580 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104581582 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104581585 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104581588 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C[C@@H](C[C@H]3CCCCN13)OC(=O)/C=C/c1ccc(O)c-2c1 ZINC000104593206 IJ Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(C)n2)c1 ZINC000104691830 IJ Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cccc(C)n2)c1 ZINC000104691833 IJ Annotated Anodyne CC(=O)Nc1cccc(/N=C/c2c(C)nn(-c3ccc(Br)c(C)c3)c2O)c1 ZINC000104693672 IJ Annotated Mild COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nc(N)c32)cc1OC ZINC000104694599 IJ Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nc(N)c32)cc1OC ZINC000104694602 IJ Annotated Anodyne COc1cccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c1OC ZINC000104697425 IJ Annotated Anodyne COc1cccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2cc(C)ccn2)c1OC ZINC000104697432 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/C=C(\O)c2ccc3c(c2)OCO3)cc1 ZINC000104701181 IJ Annotated Mild Cc1ccc(-n2nc(C)c(/C=N/c3ccc4c5c(cccc35)C(=O)N(C)C4=O)c2O)c(C)c1 ZINC000104702202 IJ Annotated Mild COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CC=CCC3)n2)cc1 ZINC000104928677 IJ Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CC=CCC3)n2)cc1 ZINC000104928682 IJ Annotated Anodyne COCCCNC(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000105173168 IJ Annotated Anodyne COCCCNC(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000105173173 IJ Annotated Anodyne COCCCNc1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 ZINC000105173269 IJ Annotated Anodyne COCCCNc1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 ZINC000105173274 IJ Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105175833 IJ Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105175835 IJ Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105176151 IJ Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105176154 IJ Annotated Bother CCN(C)C(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105176997 IJ Annotated Bother CCN(C)C(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105177001 IJ Annotated Bother COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000105177489 IJ Annotated Anodyne COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000105177496 IJ Annotated Anodyne COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000105177524 IJ Annotated Anodyne COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000105177530 IJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105181156 IJ Annotated Mild C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105181161 IJ Annotated Mild CC(C)(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000105236906 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@H]3CCCCN13)OC(=O)/C=C/c1ccc(O)c-2c1 ZINC000105357252 IJ Annotated Anodyne COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@H]2c2ccccc2)OCO4)c1O ZINC000105518650 IJ Annotated Anodyne CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)C1=CCC[C@@H](O)C1=O)OC ZINC000105567447 IJ Annotated Mild CCCCCCC[C@H](C/C=C/CCC(=O)NC/C(=C/Cl)C1=CCC[C@@H](O)C1=O)OC ZINC000105567449 IJ Annotated Mild CCN(c1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1)S(C)(=O)=O ZINC000011181341 IJ Annotated Anodyne CCc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@H]3c3cccs3)sc2c1 ZINC000110738396 IJ Annotated Anodyne CCc1ccc2nc(N3C(=O)C(=O)[C@@H](C(=O)c4ccco4)[C@@H]3c3cccs3)sc2c1 ZINC000110738400 IJ Annotated Anodyne CCc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@H]3c3cccs3)sc2c1 ZINC000110738402 IJ Annotated Anodyne CCc1ccc2nc(N3C(=O)C(=O)[C@H](C(=O)c4ccco4)[C@@H]3c3cccs3)sc2c1 ZINC000110738406 IJ Annotated Anodyne O=C(c1ccc2c(c1)C1(CC1)C[C@@H](c1cc(F)ccc1Br)N2)N1CCOCC1 ZINC000112993869 IJ Annotated Anodyne O=C(c1ccc2c(c1)C1(CC1)C[C@H](c1cc(F)ccc1Br)N2)N1CCOCC1 ZINC000112993871 IJ Annotated Anodyne O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)C[C@@H]1CC[C@@H]3N1 ZINC000113225715 IJ Annotated Anodyne O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)C[C@H]1CC[C@@H]3N1 ZINC000113225716 IJ Annotated Anodyne O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)C[C@@H]1CC[C@H]3N1 ZINC000113225718 IJ Annotated Anodyne O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)C[C@H]1CC[C@H]3N1 ZINC000113225719 IJ Annotated Anodyne Cc1cc2nc(SCc3nc(-c4ccccc4)cn3C)nn2c(C)c1Br ZINC000113420997 IJ Annotated Anodyne Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cn3CC3CCOCC3)nc2n1 ZINC000113422247 IJ Annotated Anodyne COC(=O)c1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 ZINC000113656490 IJ Annotated Anodyne NC1(c2ccc(-c3nc4ccc(C(=O)NCCF)cn4c3-c3ccccc3)cc2)CCC1 ZINC000113656732 IJ Annotated Anodyne COC(=O)/C=C/c1c(C)nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12 ZINC000114038764 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000114097253 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCO2)C(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000114097256 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccco1 ZINC000114098914 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccco1 ZINC000114098916 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)C1CN(Cc2ccccc2)C1 ZINC000114098960 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)CCNCc1ccccc1 ZINC000114099224 IJ Annotated Anodyne CC(C)CN(Cc1ccc2c(c1Cl)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1 ZINC000114099449 IJ Annotated Anodyne CC(C)CN(Cc1ccc2c(c1Cl)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1 ZINC000114099451 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCO2)C(=O)[C@@H](C)CNCc1ccccc1 ZINC000114099453 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCO2)C(=O)[C@H](C)CNCc1ccccc1 ZINC000114099455 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1 ZINC000114099485 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1 ZINC000114099487 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)NCCc1ccccc1 ZINC000114099762 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccoc2)C1 ZINC000114099922 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccco2)C1 ZINC000114099977 IJ Annotated Anodyne CCCN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000114100098 IJ Annotated Anodyne CCCN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000114100101 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)NCc1ccccc1 ZINC000114100425 IJ Annotated Anodyne CC(C)CN(Cc1cc2c(cc1Cl)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1 ZINC000114100547 IJ Annotated Anodyne CC(C)CN(Cc1cc2c(cc1Cl)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1 ZINC000114100550 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccoc1 ZINC000114100785 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccoc1 ZINC000114100786 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)NCc1ccccc1 ZINC000114101142 IJ Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)NCCc1ccccc1 ZINC000114101232 IJ Annotated Anodyne COc1cc(Cl)c(C)cc1Nc1ccc(F)c([C@@]2(C)N=C(N)N(C)C(=O)C2(C)C)c1 ZINC000114107887 IJ Annotated Anodyne CCCCC/C=C\C[C@]1(O)C=C(Br)C(=O)/C1=C\C=C\CCCC(=O)OC ZINC000114117545 IJ Annotated Mild CON(C(=O)c1cn(C)nc1C(F)F)[C@@H](C)Cc1c(Cl)cc(Cl)cc1Cl ZINC000114242808 IJ Annotated Anodyne in-vitro CON(C(=O)c1cn(C)nc1C(F)F)[C@H](C)Cc1c(Cl)cc(Cl)cc1Cl ZINC000114242810 IJ Annotated Anodyne in-vitro CCc1ccc([C@@H]2C[C@H](NC(=O)N(C)c3ccccc3)CN(C(=O)C3CCCC3)C2)cc1 ZINC000114342846 IJ Annotated Anodyne CCc1ccc([C@H]2C[C@H](NC(=O)N(C)c3ccccc3)CN(C(=O)C3CCCC3)C2)cc1 ZINC000114342848 IJ Annotated Anodyne CCc1ccc([C@@H]2C[C@@H](NC(=O)N(C)c3ccccc3)CN(C(=O)C3CCCC3)C2)cc1 ZINC000114342849 IJ Annotated Anodyne CCc1ccc([C@H]2C[C@@H](NC(=O)N(C)c3ccccc3)CN(C(=O)C3CCCC3)C2)cc1 ZINC000114342851 IJ Annotated Anodyne CC1CCC(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)CC1 ZINC000114344424 IJ Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)Oc2ccccc2)c1 ZINC000114347888 IJ Annotated Anodyne COc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OC(=O)C(F)(F)F ZINC000114590833 IJ Annotated Anodyne CCc1cc(Nc2nccc3nc(-c4c(Cl)cc(C(N)=O)cc4Cl)sc23)ncn1 ZINC000114602231 IJ Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N(C)CCO)c(F)c3)cc12 ZINC000114710046 IJ Annotated Anodyne COCC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1 ZINC000114710553 IJ Annotated Anodyne COCCN(C)[C@@H]1CC[C@@H](NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)CC1 ZINC000114710812 IJ Annotated Anodyne COCCNC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1 ZINC000114711547 IJ Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(OCC(=O)N(C)C)cc3)cc12 ZINC000114712335 IJ Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(CN4CCOCC4)cc3)cc12 ZINC000114712534 IJ Annotated Anodyne CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000114754636 IJ Annotated Bother CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000114754639 IJ Annotated Bother O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCCC[C@H](C2)N3[C@H]2C=CCCCCC2)c1=O ZINC000114764287 IJ Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCCC[C@H](C2)N3[C@@H]2C=CCCCCC2)c1=O ZINC000114764289 IJ Annotated Anodyne O=C(O)c1nc2ccc(F)cc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114765021 IJ Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)ncc2C)s1 ZINC000114805871 IJ Annotated Anodyne Cc1nc(C)c(CNc2cc(CCC#Cc3ccc4ccccc4n3)nc3ccnn23)s1 ZINC000114811051 IJ Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccccn3)nc(-c3ncco3)c2C)s1 ZINC000114812865 IJ Annotated Anodyne COc1cc(-c2nc(Nc3cccc(OC(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1 ZINC000114912688 IJ Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCC[C@H](C(F)(F)F)C3)n(C)n2)ccc1-n1cnc(C)c1 ZINC000114913156 IJ Annotated Anodyne COc1cc(-c2nc(Oc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1 ZINC000114913511 IJ Annotated Anodyne COc1cc(-c2nc(CNc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1 ZINC000114919020 IJ Annotated Anodyne COc1cc(-c2nc(Nc3ccccc3C(F)(F)F)n(C)n2)ccc1-n1cnc(C)c1 ZINC000114920863 IJ Annotated Anodyne CC(C)C(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114978792 IJ Annotated Anodyne CC(C)C(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114978794 IJ Annotated Anodyne CC(C)NC(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980302 IJ Annotated Anodyne CC(C)NC(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980304 IJ Annotated Anodyne CCCNC(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114984921 IJ Annotated Anodyne CCCNC(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114984923 IJ Annotated Anodyne C[C@@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(C(F)(F)F)nc1 ZINC000114992868 IJ Annotated Anodyne C[C@H](Nc1ncnc2c1CN(c1ccc(Cl)cn1)CC2)c1ccc(C(F)(F)F)nc1 ZINC000114996412 IJ Annotated Anodyne CN(Cc1cccc2cnccc12)C(=O)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000011661722 IJ Annotated Anodyne C=C(Cl)CSc1nnc(CCNC(=O)c2ccc(C)cc2)n1-c1ccc(F)cc1 ZINC000011784149 IJ Annotated Mild Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@H](CNC(=O)Cc1ccn(C)c1)C2 ZINC000011785911 IJ Annotated Anodyne Cc1cc2c(c(-c3ccc4nc(C)ccc4c3)c1)O[C@@H](CNC(=O)Cc1ccn(C)c1)C2 ZINC000011785912 IJ Annotated Anodyne COc1cccc(C[C@@]2(CO)CCCN(Cc3ccc(CN4CCCCC4)s3)C2)c1 ZINC000011816716 IJ Annotated Anodyne COc1cccc(C[C@]2(CO)CCCN(Cc3ccc(CN4CCCCC4)s3)C2)c1 ZINC000011816717 IJ Annotated Anodyne COc1ccccc1/C=C/CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 ZINC000011873444 IJ Annotated Anodyne Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NC(=O)CCc1cn2ccccc2n1 ZINC000011935494 IJ Annotated Anodyne Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2NC(=O)CCc1cn2ccccc2n1 ZINC000011935495 IJ Annotated Anodyne O=C(c1ccco1)N1CCCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000011935654 IJ Annotated Anodyne COc1ccc(C2(C(=O)NC[C@@H]3Cc4cccc(-c5cccnc5)c4O3)CCCC2)cc1 ZINC000011969755 IJ Annotated Anodyne COc1ccc(C2(C(=O)NC[C@H]3Cc4cccc(-c5cccnc5)c4O3)CCCC2)cc1 ZINC000011969765 IJ Annotated Anodyne COc1ccccc1[C@@H]1CN(Cc2ccc(Sc3nncn3C)o2)Cc2ccccc2O1 ZINC000011979321 IJ Annotated Anodyne COc1ccccc1[C@H]1CN(Cc2ccc(Sc3nncn3C)o2)Cc2ccccc2O1 ZINC000011979331 IJ Annotated Anodyne COC(=O)c1sc2nc(CN3CCC(C)CC3)ccc2c1NC(=O)c1ccc(C)s1 ZINC000011979355 IJ Annotated Anodyne Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)CCc1cccnc1)C2 ZINC000011982940 IJ Annotated Anodyne Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@@H](CNC(=O)CCc1cccnc1)C2 ZINC000011982949 IJ Annotated Anodyne CC(C)C(=O)NC[C@@H]1CCC2(CCN(Cc3ccc(-c4cccc(Cl)c4)o3)CC2)O1 ZINC000011996453 IJ Annotated Anodyne CC(C)C(=O)NC[C@H]1CCC2(CCN(Cc3ccc(-c4cccc(Cl)c4)o3)CC2)O1 ZINC000011996454 IJ Annotated Anodyne CC1(CNc2nc(-c3cc(N[C@@H]4CC[C@@H](N)CC4)ncc3Cl)ccc2F)CCOCC1 ZINC000115454996 IJ Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cncc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115455838 IJ Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cncc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115457266 IJ Annotated Anodyne CC1(CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](N)CC4)ncc3Cl)n2)CCOCC1 ZINC000115457545 IJ Annotated Anodyne CCOC(=O)[C@@](C)(Cc1cscn1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12 ZINC000115653683 IJ Annotated Anodyne CCOC(=O)[C@](C)(Cc1cscn1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12 ZINC000115653686 IJ Annotated Anodyne CCOC(=O)[C@@](C)(CC1CCOCC1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12 ZINC000115656895 IJ Annotated Anodyne CCOC(=O)[C@](C)(CC1CCOCC1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12 ZINC000115656898 IJ Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)N[C@H](C)c5cccs5)[nH]c4C)ccc3[nH]2)n1 ZINC000115832140 IJ Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)N[C@@H](C)c5cccs5)[nH]c4C)ccc3[nH]2)n1 ZINC000115832141 IJ Annotated Anodyne Cn1ccnc1/C=C/c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000116145359 IJ Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(Cl)nn4)ccn23)c1 ZINC000116147797 IJ Annotated Anodyne O=C1OC[C@H](c2ccc(F)cc2)N1c1ccn2ncc(-c3ccc(-c4cc[nH]n4)cc3)c2n1 ZINC000116186195 IJ Annotated Anodyne COC(=O)c1c[nH]c(-c2cc(Oc3ccc(F)c(NC(=O)c4occc4C)c3)ccn2)c1 ZINC000116235708 IJ Annotated Anodyne COC(=O)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(F)cc2)nc1 ZINC000116536101 IJ Annotated Anodyne Cc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000116588547 IJ Annotated Anodyne Cc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000116588550 IJ Annotated Anodyne Cc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000116588552 IJ Annotated Anodyne Cc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000116588555 IJ Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3nccc(-c4ccco4)n3)C[C@@H]2C1 ZINC000116824439 IJ Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@H]2CN(c3nccc(-c4ccco4)n3)C[C@@H]2C1 ZINC000116824440 IJ Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3nccc(-c4ccco4)n3)C[C@H]2C1 ZINC000116824442 IJ Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1CC[C@@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 ZINC000116826480 IJ Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 ZINC000116826482 IJ Annotated Anodyne Cc1nc2ccccc2nc1N1C[C@H]2CN(C(=O)c3ccccc3-c3cccs3)C[C@H]2C1 ZINC000116828261 IJ Annotated Anodyne Cc1nc2ccccc2nc1N1C[C@H]2CN(C(=O)c3ccccc3-c3cccs3)C[C@@H]2C1 ZINC000116828264 IJ Annotated Anodyne Cc1nc2ccccc2nc1N1C[C@@H]2CN(C(=O)c3ccccc3-c3cccs3)C[C@H]2C1 ZINC000116828265 IJ Annotated Anodyne C[C@@H]1C[C@H](N)CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1 ZINC000116904134 IJ Annotated Anodyne C[C@H]1C[C@@H](N)CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1 ZINC000116904415 IJ Annotated Anodyne COc1cc(-n2ccc(SCc3ccc(Cl)cc3)cc2=O)ccc1OCC(C)(C)O ZINC000116941554 IJ Annotated Anodyne CN(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4NS(C)(=O)=O)ccc3[nH]2)cc1 ZINC000117160293 IJ Annotated Clean Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3CCN(C(C)C)C(C)C)nn12 ZINC000117238694 IJ Annotated Anodyne Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CCN(C(C)C)C(C)C)nc2n1 ZINC000117238911 IJ Annotated Anodyne CC(C)n1cc(CN2CCC(N3C(=O)c4c(C(N)=O)cccc4[C@@H]3C)CC2)c2ccccc21 ZINC000117386228 IJ Annotated Anodyne CC(C)n1cc(CN2CCC(N3C(=O)c4c(C(N)=O)cccc4[C@H]3C)CC2)c2ccccc21 ZINC000117386231 IJ Annotated Anodyne O=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(F)cc2F)c1-c1ccncn1 ZINC000117390885 IJ Annotated Anodyne C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)n[nH]c2n1)c1ccccc1 ZINC000117513053 IJ Annotated Anodyne Cc1ccc(Oc2cccc3c2[C@@H]2CCCN(C(=O)c4ccc5[nH]cnc5c4)[C@H]2CC3)nn1 ZINC000117627300 IJ Annotated Anodyne Cc1ccc(Oc2cccc3c2[C@H]2CCCN(C(=O)c4ccc5[nH]cnc5c4)[C@H]2CC3)nn1 ZINC000117627302 IJ Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cccs2)nc1 ZINC000117665018 IJ Annotated Anodyne CCCSc1nc(N2CCC[C@H](C3(C(=O)O)CC3)C2)ccc1C(=O)NC1CCCCC1 ZINC000117687811 IJ Annotated Anodyne CCCSc1nc(N2CCC[C@@H](C3(C(=O)O)CC3)C2)ccc1C(=O)NC1CCCCC1 ZINC000117687814 IJ Annotated Anodyne CCCSc1nc(N2CCC[C@H](C(C)(C)C(=O)O)C2)ccc1C(=O)NC1CCCCC1 ZINC000117699022 IJ Annotated Anodyne CCCSc1nc(N2CCC[C@@H](C(C)(C)C(=O)O)C2)ccc1C(=O)NC1CCCCC1 ZINC000117699026 IJ Annotated Anodyne Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(F)ccn45)cccc32)n1 ZINC000117893521 IJ Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(C(N)=O)cc21 ZINC000118091758 IJ Annotated Anodyne Cc1cc([C@H](Nc2cc(CNCCC(=O)O)c(Cl)cn2)C(F)(F)F)ccc1Cl ZINC000118387061 IJ Annotated Anodyne O=C(Nc1ccccc1)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000118396195 IJ Annotated Anodyne NS(=O)(=O)c1ccccc1-c1ccc2[nH]c(CCc3ccc(C(F)(F)F)cc3)nc2c1 ZINC000118399904 IJ Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)CC(=O)[C@H]4[C@@H]3CC[C@@H]2C1 ZINC000118920110 IJ Annotated Anodyne CC(=O)S[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 ZINC000118922748 IJ Annotated Mild CC(=O)S[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 ZINC000118922751 IJ Annotated Mild CC(=O)S[C@H]1CC(=O)C=C2[C@H]3C[C@@H]3[C@H]3[C@@H]4[C@@H]5C[C@@H]5[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118922753 IJ Annotated Mild CC(=O)S[C@H]1CC(=O)C=C2[C@H]3C[C@H]3[C@H]3[C@@H]4[C@@H]5C[C@@H]5[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118922755 IJ Annotated Mild CC(=O)S[C@H]1CC(=O)C=C2[C@@H]3C[C@@H]3[C@H]3[C@@H]4[C@@H]5C[C@@H]5[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118922756 IJ Annotated Mild CC(=O)S[C@H]1CC(=O)C=C2[C@@H]3C[C@H]3[C@H]3[C@@H]4[C@@H]5C[C@@H]5[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000118922757 IJ Annotated Mild C=C1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C ZINC000118936811 IJ Annotated Mild in-man endogenous C=C1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000118936812 IJ Annotated Mild in-man endogenous C=C1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C ZINC000118936813 IJ Annotated Mild in-man endogenous C=C1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000118936814 IJ Annotated Mild in-man endogenous CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34O[C@@]3(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@]12O[C@@H]2[C@@H]4O ZINC000118936949 IJ Annotated Anodyne in-man endogenous CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34O[C@@]3(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@]12O[C@@H]2[C@@H]4O ZINC000118936950 IJ Annotated Anodyne in-man endogenous CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@]34O[C@@]3(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@]12O[C@@H]2[C@@H]4O ZINC000118936951 IJ Annotated Anodyne in-man endogenous CC(C)[C@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@]34O[C@@]3(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@@]12O[C@@H]2[C@@H]4O ZINC000118936952 IJ Annotated Anodyne in-man endogenous C=C1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C ZINC000118937224 IJ Annotated Mild in-man endogenous C=C1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000118937225 IJ Annotated Mild in-man endogenous C=C1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C ZINC000118937226 IJ Annotated Mild in-man endogenous C=C1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000118937227 IJ Annotated Mild in-man endogenous C=C1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C ZINC000119208275 IJ Annotated Mild in-man C=C1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000119208393 IJ Annotated Mild in-man C=C1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C ZINC000119208470 IJ Annotated Mild in-man C=C1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000119208543 IJ Annotated Mild in-man CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34O[C@@]3(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@@H]2[C@H]4O ZINC000119256358 IJ Annotated Anodyne in-man CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34O[C@@]3(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@@H]2[C@H]4O ZINC000119256447 IJ Annotated Anodyne in-man CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@]34O[C@@]3(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@@H]2[C@H]4O ZINC000119256528 IJ Annotated Anodyne in-man CC(C)[C@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@]34O[C@@]3(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@@H]2[C@H]4O ZINC000119256660 IJ Annotated Anodyne in-man C=C1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C ZINC000119279839 IJ Annotated Mild in-man C=C1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000119279967 IJ Annotated Mild in-man C=C1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C ZINC000119280079 IJ Annotated Mild in-man C=C1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000119280180 IJ Annotated Mild in-man CC(C)[C@@H](C)[C@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000119295237 IJ Annotated Anodyne in-man CC(C)[C@H](C)[C@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000119295378 IJ Annotated Anodyne in-man CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000119295482 IJ Annotated Anodyne in-man CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000119295598 IJ Annotated Anodyne in-man CC(C)[C@@H](C)[C@@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000119384197 IJ Annotated Anodyne in-man CC(C)[C@H](C)[C@@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000119384329 IJ Annotated Anodyne in-man CC(C)[C@@H](C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000119384461 IJ Annotated Anodyne in-man CC(C)[C@H](C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000119384618 IJ Annotated Anodyne in-man CC(C)C(=O)NC[C@@H]1CCC2(CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)O1 ZINC000012022519 IJ Annotated Anodyne CC(C)C(=O)NC[C@H]1CCC2(CCN(Cc3ccc(-c4ccccc4Cl)o3)CC2)O1 ZINC000012022526 IJ Annotated Anodyne Cc1ccn(CCC(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4ccc5[nH]ccc5c4)c3O2)n1 ZINC000012077971 IJ Annotated Anodyne Cc1ccn(CCC(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ccc5[nH]ccc5c4)c3O2)n1 ZINC000012077973 IJ Annotated Anodyne Cc1c(C(=O)N2C[C@H]3CC[C@@H]2C3)sc2ncnc(NCCc3c[nH]c4ccccc34)c12 ZINC000012080304 IJ Annotated Anodyne Cc1c(C(=O)N2C[C@@H]3CC[C@H]2C3)sc2ncnc(NCCc3c[nH]c4ccccc34)c12 ZINC000012080305 IJ Annotated Anodyne Cc1c(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)sc2ncnc(NCCc3ccccn3)c12 ZINC000012128509 IJ Annotated Anodyne COCc1c(C(=O)NC2CCCCCC2)cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000012133149 IJ Annotated Anodyne COC(=O)c1sc2nc(CN3CCC[C@@H](C)C3)ccc2c1NC(=O)c1ccc(C)s1 ZINC000012155174 IJ Annotated Anodyne COC(=O)c1sc2nc(CN3CCC[C@H](C)C3)ccc2c1NC(=O)c1ccc(C)s1 ZINC000012155180 IJ Annotated Anodyne CCCn1ncc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c1C ZINC000012297893 IJ Annotated Anodyne Cc1cc(OCc2cc(C(=O)N3CCC(Oc4cccnc4)CC3)no2)cc(C)c1Cl ZINC000012305298 IJ Annotated Anodyne O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000012355195 IJ Annotated Anodyne CC(C)CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358370 IJ Annotated Anodyne CC(C)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358371 IJ Annotated Anodyne O=C(O)Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(CCC2CCCCC2)C1=O ZINC000012358378 IJ Annotated Anodyne O=C(O)Cc1ccccc1OCC[C@H]1Oc2ccccc2N(CCC2CCCCC2)C1=O ZINC000012358379 IJ Annotated Anodyne CC(F)(F)CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358426 IJ Annotated Anodyne CC(F)(F)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358427 IJ Annotated Anodyne O=C(O)Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(CCCCCCCF)C1=O ZINC000012358432 IJ Annotated Anodyne O=C(O)Cc1ccccc1OCC[C@H]1Oc2ccccc2N(CCCCCCCF)C1=O ZINC000012358433 IJ Annotated Anodyne COC(=O)c1ccccc1C(=O)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 ZINC000012434765 IJ Annotated Anodyne COC(=O)c1ccccc1C(=O)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 ZINC000012434766 IJ Annotated Anodyne CCn1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012438697 IJ Annotated Anodyne CCn1cc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012438698 IJ Annotated Anodyne COC1=C/C(=C/C2=C3Nc4ccccc4C(C(=O)O)=C3CCC2)C=C(Br)C1=O ZINC000012470939 IJ Annotated Mild COc1ccc(-c2oc3ccc(N4CCOCC4)cc3c2C#CC2(O)CCCCC2)cc1 ZINC000012477105 IJ Annotated Mild COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000012479555 IJ Annotated Anodyne COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012479650 IJ Annotated Anodyne COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc2ccccc12 ZINC000012479677 IJ Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccccc1 ZINC000012480038 IJ Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000012480235 IJ Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1 ZINC000012482180 IJ Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1 ZINC000012482402 IJ Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1 ZINC000012482445 IJ Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1 ZINC000012482579 IJ Annotated Anodyne C=CCOC(=O)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000012482622 IJ Annotated Mild Sc1nnc(-c2ccccn2)n1/N=C/c1ccc(-c2ccccc2Br)o1 ZINC000012485536 IJ Annotated Mild FC(F)Oc1ccc(/C=N\n2c(Cc3ccc(Br)cc3)n[nH]c2=S)cc1 ZINC000012487982 IJ Annotated Mild S=c1[nH]nc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C\c1ccc(Br)s1 ZINC000012508125 IJ Annotated Mild COc1cc(/C=C/c2ccc3ccccc3n2)cc(Br)c1OCC(=O)N(C)C ZINC000012534701 IJ Annotated Anodyne Cc1ccc(N(C(=O)c2sc(C)nc2C)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000012645542 IJ Annotated Anodyne Cc1ccc(N(C(=O)c2sc(C)nc2C)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000012645547 IJ Annotated Anodyne CC(=O)c1cc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)cs1 ZINC000012709905 IJ Annotated Anodyne COc1ccc(OCc2cc(C(=O)N3CCC(c4ccccc4)CC3)no2)c(Cl)c1 ZINC000012715437 IJ Annotated Anodyne CCCNC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000012725696 IJ Annotated Anodyne CC(C)CCNC(=O)c1onc(CSc2ccc(F)cc2)c1C(=O)NCCC(C)C ZINC000012726533 IJ Annotated Anodyne CC(C)NC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000012726687 IJ Annotated Anodyne Cc1[nH]n(-c2cc(C(F)(F)F)ccc2Cl)c2nc(C(Cl)(Cl)Cl)nc(=O)c1-2 ZINC000012727231 IJ Annotated Anodyne O=C(C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 ZINC000013118594 IJ Annotated Anodyne O=C(C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 ZINC000013118624 IJ Annotated Anodyne Cc1ccc(C2=NN=C/C2=C\Nn2c(COc3ccccc3C)nc3ccccc3c2=O)cc1 ZINC000013119340 IJ Annotated Anodyne COc1cc([C@H]2C3=C(CCCC3=O)N=C3C2=C(C)NN3c2cccc(C)c2)cc(OC)c1O ZINC000013121790 IJ Annotated Mild O=C(/N=N\c1c(O)[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000013123238 IJ Annotated Clean CCN(CC)S(=O)(=O)c1ccc(/N=N\c2cc(C)cc(Br)c2O)cc1 ZINC000013123268 IJ Annotated Clean C[C@H]1C[C@@H](C(F)F)n2nc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)nc2N1 ZINC000013124788 IJ Annotated Mild CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1cc2ccccc2c2ccccc12 ZINC000013125805 IJ Annotated Bother CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1cc2ccccc2c2ccccc12 ZINC000013125806 IJ Annotated Bother COc1cc([C@@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1OC ZINC000013136658 IJ Annotated Anodyne CCCC[C@@H]1S/C(=N\N=C/c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000013142533 IJ Annotated Mild Cc1cccc2c(/N=N\C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c(O)[nH]c12 ZINC000013148328 IJ Annotated Clean CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2 ZINC000013151893 IJ Annotated Reactive CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](C(=O)O)N2 ZINC000013151894 IJ Annotated Reactive CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](C(=O)O)N2 ZINC000013151895 IJ Annotated Reactive CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](C(=O)O)N2 ZINC000013151896 IJ Annotated Reactive COc1ccc(C/N=N/c2cc(C)nc(NS(=O)(=O)c3ccccc3Cl)n2)cc1 ZINC000013152206 IJ Annotated Clean Cc1ccccc1[C@H]1C(C(=O)c2ccccc2F)=C(O)C(=O)N1c1ccc(CC(=O)O)cc1 ZINC000013217634 IJ Annotated Mild Cc1ccccc1[C@@H]1C(C(=O)c2ccccc2F)=C(O)C(=O)N1c1ccc(CC(=O)O)cc1 ZINC000013217635 IJ Annotated Mild CNCCc1ccc(O)c([C@@H]2C=C(C)C[C@H]3c4cc(CCNC)ccc4OC(C)(C)[C@H]23)c1 ZINC000013310358 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(=O)O)cc3)c(=O)c3ccccc23)cc1OCC ZINC000013346348 IJ Annotated Anodyne CCc1cccc(Nc2cnn(C34C[C@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)c1 ZINC000013363995 IJ Annotated Anodyne CC(C)=CCc1c(O)c(O)cc(-c2cc(=O)c3c(O)c4c(cc3o2)OC(C)(C)C=C4)c1O ZINC000013373145 IJ Annotated Clean C=C(C)[C@@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)-c2c(O)cc(O)c(O)c21 ZINC000013373146 IJ Annotated Mild in-man C=C(C)[C@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)-c2c(O)cc(O)c(O)c21 ZINC000013373147 IJ Annotated Mild in-man biogenic C=C(C)c1cc2c(=O)c3c(O)cc4c(c3oc2c2c1C(=O)C(OC)=CC2=O)C=CC(C)(C)O4 ZINC000013373225 IJ Annotated Mild in-man C=C(C)[C@@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)-c2c(O)cc(OC)c(O)c21 ZINC000013373228 IJ Annotated Mild C=C(C)[C@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)-c2c(O)cc(OC)c(O)c21 ZINC000013373229 IJ Annotated Mild CC(C)=CCc1c(O)c2c3c(c1O)-c1oc4cc(O)cc(O)c4c(=O)c1C[C@H]3C(C)(C)O2 ZINC000013373243 IJ Annotated Anodyne in-man CC(C)=CCc1c(O)c2c3c(c1O)-c1oc4cc(O)cc(O)c4c(=O)c1C[C@@H]3C(C)(C)O2 ZINC000013373244 IJ Annotated Anodyne in-man C=C(C)[C@@H]1Cc2c(oc3cc(OC)cc(O)c3c2=O)-c2c(O)c3c(c(O)c21)OC(C)(C)C=C3 ZINC000013373266 IJ Annotated Mild in-man endogenous C=C(C)[C@H]1Cc2c(oc3cc(OC)cc(O)c3c2=O)-c2c(O)c3c(c(O)c21)OC(C)(C)C=C3 ZINC000013373267 IJ Annotated Mild in-man endogenous C=C(C)[C@@H]1Cc2c(oc3cc(O)cc(O)c3c2=O)-c2c(O)c3c(c(O)c21)OC(C)(C)C=C3 ZINC000013373268 IJ Annotated Mild C=C(C)[C@H]1Cc2c(oc3cc(O)cc(O)c3c2=O)-c2c(O)c3c(c(O)c21)OC(C)(C)C=C3 ZINC000013373269 IJ Annotated Mild CCc1oc(=O)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(=O)C(C)C)c2OC)c(O)c1C ZINC000013374412 IJ Annotated Anodyne Cc1c2c(cc3c1C[C@@H](O)CC3)[C@]13CC[C@H]([C@H](C)[C@@]4(OC(C)(C)[C@@H](C)[C@H]4O)O1)[C@@]3(C)C=C2 ZINC000013378485 IJ Annotated Anodyne C=CC(C)(C)c1c(O)cc(O)c2c(=O)c(O)c(-c3cc(O)c4c(c3)C=CC(C)(C)O4)oc12 ZINC000013380010 IJ Annotated Mild in-vitro biogenic C[C@H]1Oc2cc(O)c3c(=O)c(O)c(-c4cc(O)c5c(c4)C=CC(C)(C)O5)oc3c2C1(C)C ZINC000013380011 IJ Annotated Anodyne C[C@@H]1Oc2cc(O)c3c(=O)c(O)c(-c4cc(O)c5c(c4)C=CC(C)(C)O5)oc3c2C1(C)C ZINC000013380012 IJ Annotated Anodyne in-vitro biogenic CC1(C)C=Cc2c(cc3oc(-c4cc(O)c(O)c5c4OC(C)(C)CC5)cc(=O)c3c2O)O1 ZINC000013387661 IJ Annotated Clean CC1(C)C=Cc2c(cc3oc(-c4cc(O)c5c(c4O)CCC(C)(C)O5)cc(=O)c3c2O)O1 ZINC000013387662 IJ Annotated Anodyne CCCCC/C=C(\C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(c3c(C)cccc3O)OC=C2C1=O ZINC000013405148 IJ Annotated Mild CCCCC(=O)c1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)OC)c(CCC)c1O2 ZINC000013407098 IJ Annotated Anodyne CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2c(O)cc(O)c3c2[C@@H](C4)C(C)(C)O3)O1 ZINC000013414430 IJ Annotated Anodyne CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2c(O)cc(O)c3c2[C@H](C4)C(C)(C)O3)O1 ZINC000013414433 IJ Annotated Anodyne in-vitro biogenic COc1cc(O)c2c3c1OC(C)(C)[C@@H]3Cc1c-2oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 ZINC000013414445 IJ Annotated Anodyne in-man endogenous COc1cc(O)c2c3c1OC(C)(C)[C@H]3Cc1c-2oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 ZINC000013414448 IJ Annotated Anodyne in-man endogenous C[C@H]1C[C@H](C(F)F)n2nc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)nc2N1 ZINC000013426342 IJ Annotated Mild CC(=O)O[C@H](C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)/C(C)=C/Cc1c(O)cc(C)c(C=O)c1O ZINC000013432947 IJ Annotated Anodyne COc1ccc2c(c1)CN(C(=O)c1ccccc1)N=C2Cc1c(Cl)cncc1Cl ZINC000013436009 IJ Annotated Anodyne COc1ccc2c(c1)CN(C(=O)Cc1ccccc1)N=C2Cc1c(Cl)cncc1Cl ZINC000013436012 IJ Annotated Anodyne O=c1n(CCN2CCC(=C(c3ccccc3)c3ccc(F)cc3)CC2)nc2n1CCCCC2 ZINC000013447910 IJ Annotated Anodyne O=[S@@](Cc1cc(OCc2ccc(C(F)(F)F)cc2)ccn1)c1nc2cscc2[nH]1 ZINC000013448771 IJ Annotated Anodyne Cc1sc(C)c2[nH]c([S@@](=O)Cc3cc(OCC(F)(F)C(F)(F)F)ccn3)nc12 ZINC000013448873 IJ Annotated Anodyne Cc1sc(C)c2[nH]c([S@](=O)Cc3cc(OCC(F)(F)C(F)(F)F)ccn3)nc12 ZINC000013448876 IJ Annotated Anodyne CN(Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)c1ccc2c3c(cccc13)C(=O)N2 ZINC000013450159 IJ Annotated Anodyne COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CC[N+](C)(C)C)C(=O)[C@@H]2C)cc1 ZINC000013450786 IJ Annotated Bother COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N([C@@H](C)CN(C)C)C(=O)[C@@H]2C)cc1 ZINC000013450800 IJ Annotated Anodyne COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N([C@H](C)CN(C)C)C(=O)[C@@H]2C)cc1 ZINC000013450805 IJ Annotated Anodyne CCCN(CCC)CCCOc1ccc(S(=O)(=O)c2c(C)cn3ccccc23)cc1 ZINC000013451402 IJ Annotated Anodyne CC(C)(C)NCCCOc1ccc(S(=O)(=O)c2c(C3CC3)cn3ccccc23)cc1 ZINC000013451544 IJ Annotated Anodyne CC(C)=C1Cc2c(O)c(-c3cc(=O)c4c(O)c5c(cc4o3)OC(C)(C)C=C5)cc(O)c2O1 ZINC000013460532 IJ Annotated Anodyne COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 ZINC000013473094 IJ Annotated Anodyne Cc1ccc(CCNC(=O)[C@@H]2CC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)=NO2)cc1 ZINC000013478276 IJ Annotated Anodyne Cc1ccc(CCNC(=O)[C@H]2CC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)=NO2)cc1 ZINC000013478279 IJ Annotated Anodyne Nc1c(F)cccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013487997 IJ Annotated Anodyne Nc1cc(F)ccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCS3 ZINC000013487998 IJ Annotated Anodyne Nc1cc(F)ccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCS3 ZINC000013488013 IJ Annotated Anodyne CCCCNc1c(C(=O)OCC)cnc2c1cnn2C[C@@H](Cl)COc1ccccc1 ZINC000013491844 IJ Annotated Reactive CCCCNc1c(C(=O)OCC)cnc2c1cnn2C[C@H](Cl)COc1ccccc1 ZINC000013491845 IJ Annotated Reactive CC(C)CCNC(=O)c1ccccc1-c1ccccc1CNS(=O)(=O)c1ccccc1 ZINC000013493167 IJ Annotated Anodyne COC(=O)c1c(C)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12 ZINC000013494039 IJ Annotated Anodyne C=C[C@H](O)c1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C ZINC000013494054 IJ Annotated Mild C=C[C@@H](O)c1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C ZINC000013494055 IJ Annotated Mild CCc1ccc(Nc2cnn(C34C[C@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1 ZINC000013521919 IJ Annotated Anodyne CC[C@@]1(c2cccc(Oc3cc(Cn4ccnc4)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523410 IJ Annotated Mild CC[C@]1(c2cccc(Oc3cc(Cn4ccnc4)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523414 IJ Annotated Mild CC[C@@]1(c2cccc(Oc3cc(Cc4cnc[nH]4)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523468 IJ Annotated Mild CC[C@]1(c2cccc(Oc3cc(Cc4cnc[nH]4)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523472 IJ Annotated Mild CC[C@@]1(c2cccc(Oc3cc(Cc4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523477 IJ Annotated Mild CC[C@]1(c2cccc(Oc3cc(Cc4cncn4C)ccc3C#N)c2)CCCCN(C)C1=O ZINC000013523482 IJ Annotated Mild O=C(O)C1=C(C(=O)Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2[N+](=O)[O-])CCC1 ZINC000013534176 IJ Annotated Bother CCN1CCC(CC(=O)Nc2[nH]nc3nc(-c4cccs4)c(Br)cc23)CC1 ZINC000013538647 IJ Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)CNC(=S)N(Cc2ccccc2)Cc2cccs2)[C@@H]1C ZINC000013544531 IJ Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)CNC(=S)N(Cc2ccccc2)Cc2cccs2)[C@@H]1C ZINC000013544536 IJ Annotated Anodyne Cc1ccccc1NC(=O)Cn1c(O)c(/N=N\C(=O)c2ccccc2O)c2ccccc21 ZINC000013550295 IJ Annotated Clean COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OC(C)(C)C)=C2 ZINC000013553842 IJ Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OC(C)(C)C)=C2 ZINC000013553843 IJ Annotated Anodyne CCOP(=O)(OCC)c1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(C)c(C)cc32)cc1 ZINC000013556703 IJ Annotated Anodyne CCCCc1oc2ccccc2c1COc1cccc(/C(C)=C/Cn2oc(=O)[nH]c2=O)c1 ZINC000013558172 IJ Annotated Anodyne CCOC(=O)C1(c2cc(F)cc(OCc3ccc(-n4ccnc4C)cc3)c2)CCOCC1 ZINC000013559343 IJ Annotated Anodyne Cc1cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)c1 ZINC000013560310 IJ Annotated Anodyne COc1ccc(N(C(=O)/C=C/c2ccc(OC)c(OC)c2)C2=C[C@@H]3CC[C@H](C2)N3C)cc1 ZINC000013571498 IJ Annotated Anodyne CCCC(CCC)n1c(CC)nc2c1c(=O)n(C)c(=O)n2-c1ccc(Cl)cc1Cl ZINC000013582777 IJ Annotated Anodyne CCC[C@@H](COC)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000013582793 IJ Annotated Anodyne CCC[C@H](COC)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000013582796 IJ Annotated Anodyne CCN(Cc1ccccc1F)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 ZINC000013583169 IJ Annotated Anodyne CCCC[C@H](NC(=O)OCC1(CC)CCC1)C(=O)C(=O)Nc1ccnn1CCC(C)(C)C ZINC000013583833 IJ Annotated Anodyne CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C(F)(F)F)[nH]c(=O)c12 ZINC000013585152 IJ Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3O)[nH]c(=O)c12 ZINC000013585168 IJ Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccn3)[nH]c(=O)c12 ZINC000013585171 IJ Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(N)c3)[nH]c(=O)c12 ZINC000013585180 IJ Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccnc3)[nH]c(=O)c12 ZINC000013585182 IJ Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccncc3)[nH]c(=O)c12 ZINC000013585184 IJ Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(N)cc3)[nH]c(=O)c12 ZINC000013585185 IJ Annotated Clean CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)cc3)[nH]c(=O)c12 ZINC000013585190 IJ Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(O)c3)[nH]c(=O)c12 ZINC000013585210 IJ Annotated Anodyne CCOCCn1cc(C2CCN(CCOc3ccsc3C(=O)O)CC2)c2ccccc21 ZINC000013586281 IJ Annotated Anodyne O=C1CCCN1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587489 IJ Annotated Bother O=C1OCCCN1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587496 IJ Annotated Bother O=C1OCCCN1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000013587497 IJ Annotated Bother CCN1CCN(c2ccc(C3=C[C@@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000013587758 IJ Annotated Clean CCN1CCN(c2ccc(C3=C[C@]4(CCc5cc(O)ccc54)c4ccc(O)cc43)cc2)CC1 ZINC000013587759 IJ Annotated Clean O=C(NCC/C=C/c1ccccc1)c1ccccc1CN1CCc2ccc(O)cc2CC1 ZINC000013589149 IJ Annotated Anodyne Cc1noc(C)c1Cn1cc(C)c2ccc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)cc21 ZINC000013589730 IJ Annotated Anodyne Cc1nc(Cn2cc(C)c3ccc(C(=O)Nc4c(Cl)c[n+]([O-])cc4Cl)cc32)cs1 ZINC000013589732 IJ Annotated Anodyne Cc1nc([C@@H](C)N(C)Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)c(C)s1 ZINC000013596939 IJ Annotated Anodyne Cc1nc([C@H](C)N(C)Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)c(C)s1 ZINC000013596942 IJ Annotated Anodyne Cc1ccc2[nH]c(O)c(/N=N\C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2c1 ZINC000013598436 IJ Annotated Clean CN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(N)=N2 ZINC000013600949 IJ Annotated Anodyne CCN1C(O)=C(C(=O)Nc2ccc(Cl)cc2Cl)c2cc(Cl)ccc2S1(=O)=O ZINC000013605552 IJ Annotated Anodyne N#Cc1cc(-c2ccoc2)c2ccc(OCc3cncc(C4(O)CCOCC4)c3)cc2c1 ZINC000013606252 IJ Annotated Mild N#Cc1cc(-c2ccoc2)c2ccc(OCc3cc(C4(O)CCOCC4)ccn3)cc2c1 ZINC000013606254 IJ Annotated Mild N#Cc1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CCOCC4)n3)cc2c1 ZINC000013606258 IJ Annotated Mild C[C@@](O)(CSc1ccc(N=C=S)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000013609012 IJ Annotated Reactive CCOc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 ZINC000013610263 IJ Annotated Anodyne c1ccc(-c2nnc3c4c(c(OCc5ccc6c(c5)OCO6)nn23)C2CCC4CC2)cc1 ZINC000013610359 IJ Annotated Anodyne Cc1cccc2c1N(C1CCN(S(=O)(=O)c3csc4ccccc34)CC1)C(=O)OC2 ZINC000013611799 IJ Annotated Anodyne C#Cc1ccc([C@H]2C=C(C(=O)Nc3ccccc3)O[C@@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000013634839 IJ Annotated Mild O=C(Nc1ccccc1)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1 ZINC000013634956 IJ Annotated Anodyne CCCCCCO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O ZINC000013641976 IJ Annotated Anodyne CCCCCCO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O ZINC000013641979 IJ Annotated Anodyne CC1=CS[C@@](OCc2ccccc2)(c2ccc(Br)cc2)c2noc(=O)n21 ZINC000013642033 IJ Annotated Anodyne CC1=CS[C@](OCc2ccccc2)(c2ccc(Br)cc2)c2noc(=O)n21 ZINC000013642036 IJ Annotated Anodyne CC1=CS[C@@](OCC2CCCCC2)(c2ccc(Br)cc2)c2noc(=O)n21 ZINC000013642045 IJ Annotated Anodyne c1ccc(OCc2nnc(CCCCCCc3nnc(COc4ccccc4)o3)o2)cc1 ZINC000013645648 IJ Annotated Anodyne C=Cc1c(C2CCCCC2)c2ccc(C(=O)O)cc2n1CC(=O)N1CCC(N(C)C)CC1 ZINC000013646665 IJ Annotated Anodyne CN(C)Cc1cc(C(=C(C#N)c2ccccc2)c2ccc(O)c(CN(C)C)c2)ccc1O ZINC000013650280 IJ Annotated Reactive CCN(CC)CCC[C@@H](C)N[C@H]1c2ccccc2N(C(=O)c2ccc(C)cc2)[C@@H](C)[C@@H]1O ZINC000013652392 IJ Annotated Anodyne CCN(CC)CCC[C@H](C)N[C@H]1c2ccccc2N(C(=O)c2ccc(C)cc2)[C@@H](C)[C@@H]1O ZINC000013652393 IJ Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013656952 IJ Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@H](c2csc3ccccc23)C[C@H](OCCCCO)O1 ZINC000013656961 IJ Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@H](C2CCCCC2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656973 IJ Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCCCCO)O1 ZINC000013656975 IJ Annotated Anodyne O=C(NC1CC1)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013657291 IJ Annotated Anodyne O=C(NC1CC1)C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013657345 IJ Annotated Anodyne CCN(CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2ccc(=O)oc12 ZINC000013659958 IJ Annotated Anodyne CCN(CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2ccc(=O)oc12 ZINC000013659960 IJ Annotated Anodyne CC(C)CCNC(=O)c1c(CSc2ccccc2)noc1C(=O)NCc1ccccc1 ZINC000013660869 IJ Annotated Anodyne COC(=O)CCC/C=C(/c1ccc(OC)c(OC)c1)c1cc(C)c(OC)c(C(=O)OC)c1 ZINC000013673827 IJ Annotated Anodyne CC[C@@]1(c2cccc(I)c2)Oc2ccccc2-n2cccc2C1=O ZINC000013675300 IJ Annotated Anodyne CC[C@]1(c2cccc(I)c2)Oc2ccccc2-n2cccc2C1=O ZINC000013675302 IJ Annotated Anodyne CC[C@@]1(c2ccc(I)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675315 IJ Annotated Anodyne CC[C@]1(c2ccc(I)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675317 IJ Annotated Anodyne Cc1c(Cc2c(Cl)cccc2Cl)nc(SCc2ccc3c(c2)OCO3)[nH]c1=O ZINC000013677589 IJ Annotated Anodyne Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3cnc[nH]3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000013677610 IJ Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCc3cnc[nH]3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000013677612 IJ Annotated Mild CNc1cccc2c1[C@H](C)C[C@]1(C)/C(=N/CCCNCCCCN)Nc3ccccc3[C@H]21 ZINC000013678596 IJ Annotated Mild CC(=O)Nc1cccc(-c2cncc(Nc3cccc4c3OC(F)(F)C(F)(F)O4)n2)c1 ZINC000013679262 IJ Annotated Anodyne CSc1ccc(NC(=O)N2C[C@H](C)N(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C)cn1 ZINC000013679720 IJ Annotated Mild C[C@H]1CN(C(=O)Nc2ccc(Cl)nc2)[C@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000013679724 IJ Annotated Mild CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1Sc1cc(OC)c(OC)c(OC)c1 ZINC000013680341 IJ Annotated Anodyne CC(C)n1cnc2c(N(C)c3ccccc3)nc(N(CCN(C)C)Cc3ccccc3)nc21 ZINC000013682606 IJ Annotated Anodyne COc1cc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)O)cc43)c2cc1OC ZINC000013727145 IJ Annotated Anodyne COc1cc(OC)c2c(c1)ncn2C/C=C1\c2ccccc2COc2ccc(C(=O)O)cc21 ZINC000013727148 IJ Annotated Anodyne COc1cc(CCNCc2ccc(Br)cc2)c(OC)cc1Br ZINC000013737382 IJ Annotated Anodyne O=C(c1cn(C(=O)OCc2ccccc2)c2ccccc12)[C@@H]1CS[C@H](c2cccnc2)N1 ZINC000013737511 IJ Annotated Anodyne CCN(CCCCCN(C(C)=O)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000013738621 IJ Annotated Bother Cc1cc(N)c2ccccc2[n+]1CCCC#CC#CCCC[n+]1c(C)cc(N)c2ccccc21 ZINC000013740388 IJ Annotated Mild Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc([C@H](O)C(C)C)cc35)CCC4)CC2)c1 ZINC000013740425 IJ Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc([C@@H](O)C(C)C)cc35)CCC4)CC2)c1 ZINC000013740426 IJ Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(C(=O)C(C)C)cc35)CCC4)CC2)c1 ZINC000013740428 IJ Annotated Anodyne COc1ccccc1CN(C)C(=O)c1c(-c2ccccc2C)c2ccccc2c(=O)n1C ZINC000013742625 IJ Annotated Anodyne COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 ZINC000013756311 IJ Annotated Anodyne COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 ZINC000013756313 IJ Annotated Anodyne COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1 ZINC000013756315 IJ Annotated Anodyne CCOc1ccc(F)c(CCNC(=S)Nc2ncc(C(F)(F)F)s2)c1Cl ZINC000013759865 IJ Annotated Anodyne CCOc1ccc(Cl)c(CC/N=C(\S)Nc2ccc(Br)cn2)c1F ZINC000013759877 IJ Annotated Mild O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000013761286 IJ Annotated Bother O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1cccc([N+](=O)[O-])c1F ZINC000013761287 IJ Annotated Bother COc1ccc(CCCCNCCOc2cc(F)cc3c2OCCC3=O)c2ccccc12 ZINC000013780405 IJ Annotated Anodyne CCCN(CCCCc1ccc2c(c1)OCO2)CCOc1cc(F)cc2c1OCCC2=O ZINC000013780407 IJ Annotated Anodyne CCN1c2ncc(COc3cccc4[nH]ccc34)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780569 IJ Annotated Anodyne CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780570 IJ Annotated Anodyne COc1ccc(CCNCC[C@@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780748 IJ Annotated Anodyne COc1ccc(CCNCC[C@H]2CN(Cc3ccccc3)c3ccccc3O2)cc1OC ZINC000013780749 IJ Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NCc2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000013781629 IJ Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CNc2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000013781630 IJ Annotated Anodyne CSCC[C@@H](C(=O)O)N(C)C(=O)c1ccc(CNc2cccnc2)cc1-c1ccccc1 ZINC000013781632 IJ Annotated Anodyne CCCN(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000013782347 IJ Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1 ZINC000013782357 IJ Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc2oc(=O)cc(C)c2c1 ZINC000013783041 IJ Annotated Anodyne CCOC(=O)OC[C@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc2oc(=O)cc(C)c2c1 ZINC000013783042 IJ Annotated Anodyne COC1CCC(C(=O)OCC2=C[C@@H]3c4cccc5c4c(cn5C(C)C)C[C@H]3N(C)C2)CC1 ZINC000013794004 IJ Annotated Anodyne CCN(CC)c1cc(C)nc(N(CC)c2c(Br)cc(C(C)=O)cc2OC)n1 ZINC000013794506 IJ Annotated Anodyne CCCCN(CC#N)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000013794583 IJ Annotated Mild CC[C@@H](COC)Oc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794888 IJ Annotated Anodyne CC[C@H](COC)Oc1nc(C)nc2c1ncn2-c1ccc(C(C)C)cc1Br ZINC000013794891 IJ Annotated Anodyne CCCCN(CC)c1nc(C)nc2c1ncn2-c1c(Br)cc(OC)cc1OC ZINC000013795025 IJ Annotated Anodyne Cc1cc(C)cc(-c2cc(NCc3c[nH]cn3)ccc2C(=O)N[C@@H](CC(C)C)C(=O)O)c1 ZINC000013796734 IJ Annotated Anodyne CN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCO[C@@H]2CCCCO2)CC1 ZINC000013797110 IJ Annotated Anodyne CN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCO[C@H]2CCCCO2)CC1 ZINC000013797113 IJ Annotated Anodyne O=C(Cc1ccccc1Oc1ccccc1)N1CCN(Cc2c[nH]cn2)c2ccccc2C1 ZINC000013803050 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2)Oc2ccccc2C(c2ccc(OC)cc2)=C1C(=O)OC ZINC000013813365 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)Oc2ccccc2C(c2ccc(OC)cc2)=C1C(=O)OC ZINC000013813368 IJ Annotated Anodyne O=C1OCCN1C(=O)[C@H]1[C@H](c2ccccc2)C(c2cccc(Cl)c2)=NN1c1ccccc1 ZINC000013813529 IJ Annotated Anodyne aggregator O=S(=O)(Nc1c(Br)cc(Br)c2cccnc12)C1CCCCC1 ZINC000013815854 IJ Annotated Anodyne CC(C)CN1C=C2C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C=C2C=C1c1ccsc1 ZINC000013817113 IJ Annotated Mild CC(C)CN1C=C2C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C=C2C=C1c1ccsc1 ZINC000013817117 IJ Annotated Mild C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(C3CCCC3)C=C2C1=O ZINC000013817171 IJ Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(C3CCCC3)C=C2C1=O ZINC000013817174 IJ Annotated Mild C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(Cc3ccco3)C=C2C1=O ZINC000013817177 IJ Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(Cc3ccco3)C=C2C1=O ZINC000013817180 IJ Annotated Mild CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CC)C(=O)C2=CN1CCc1c[nH]c2ccccc12 ZINC000013817309 IJ Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CC)C(=O)C2=CN1CCc1c[nH]c2ccccc12 ZINC000013817313 IJ Annotated Mild CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(C(=O)NCCc1c[nH]c3ccccc13)CC2 ZINC000013817636 IJ Annotated Anodyne C=CC1=C2C=C(C3CC3)N(C3CCCCC3)C=C2C(=O)[C@](C)(OC(=O)c2ccco2)C1=O ZINC000013817758 IJ Annotated Mild C=CC1=C2C=C(C3CC3)N(C3CCCCC3)C=C2C(=O)[C@@](C)(OC(=O)c2ccco2)C1=O ZINC000013817761 IJ Annotated Mild CCOC(=O)[C@H](c1ccc(OC)c(OC)c1)[C@H]1c2ccccc2C=C(C)N1C(=O)OC ZINC000013817812 IJ Annotated Anodyne CCOC(=O)[C@@H](c1ccc(OC)c(OC)c1)[C@H]1c2ccccc2C=C(C)N1C(=O)OC ZINC000013817817 IJ Annotated Anodyne CCOC(=O)[C@H](c1ccc(OC)c(OC)c1)[C@@H]1c2ccccc2C=C(C)N1C(=O)OC ZINC000013817820 IJ Annotated Anodyne CCOC(=O)[C@@H](c1ccc(OC)c(OC)c1)[C@@H]1c2ccccc2C=C(C)N1C(=O)OC ZINC000013817823 IJ Annotated Anodyne C=CC1=C2C=C(C3CC3)N(Cc3ccccc3)C=C2C(=O)[C@](C)(OC(=O)c2ccco2)C1=O ZINC000013817826 IJ Annotated Mild C=CC1=C2C=C(C3CC3)N(Cc3ccccc3)C=C2C(=O)[C@@](C)(OC(=O)c2ccco2)C1=O ZINC000013817828 IJ Annotated Mild COc1cc2cc(C(=O)CC3(O)CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC ZINC000013818018 IJ Annotated Bother CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2C(=O)OCC(C)C)c1C ZINC000013820778 IJ Annotated Anodyne CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2C(=O)OCC(C)C)c1C ZINC000013820780 IJ Annotated Anodyne CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2CCN2CCCCC2)c1C ZINC000013820806 IJ Annotated Anodyne CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2CCN2CCCCC2)c1C ZINC000013820808 IJ Annotated Anodyne CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2COC(=O)C(C)(C)C)c1C ZINC000013820842 IJ Annotated Anodyne CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2COC(=O)C(C)(C)C)c1C ZINC000013820844 IJ Annotated Anodyne CN(C)CC#CCCC1(C2(O)c3ccccc3Oc3ccccc32)SCCCS1 ZINC000013821753 IJ Annotated Mild C=CCCCCn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCC1)C2=O ZINC000013821976 IJ Annotated Mild COCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827694 IJ Annotated Anodyne CCOCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827697 IJ Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1C(=O)NCCn1cnc(-c2ccccc2)c1C ZINC000013827727 IJ Annotated Anodyne CCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CO ZINC000013827821 IJ Annotated Anodyne Cc1cc(CNC(=O)[C@]2(C(F)(F)F)C[C@H](CCC3CCCCC3)CCCO2)nn1C ZINC000013829075 IJ Annotated Anodyne COc1ccc(SC[C@@H](Cc2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1 ZINC000013829718 IJ Annotated Anodyne COc1ccc(SC[C@H](Cc2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1 ZINC000013829720 IJ Annotated Anodyne CC(=O)Nc1ccc(SC[C@@H](c2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1 ZINC000013830514 IJ Annotated Anodyne CC(=O)Nc1ccc(SC[C@H](c2ccccc2)N2CCN(CC(C)C)CCC2=O)cc1 ZINC000013830516 IJ Annotated Anodyne CCCN1CCC(=O)N([C@@H](CSc2ccc(Br)cc2)CC(C)C)CC1 ZINC000013830518 IJ Annotated Anodyne CCCN1CCC(=O)N([C@H](CSc2ccc(Br)cc2)CC(C)C)CC1 ZINC000013830520 IJ Annotated Anodyne CCN(CC)CC[C@@H](c1ccc(OC)cc1)c1c(OC)cc(OC)c2c(C)cc(=O)oc12 ZINC000013830903 IJ Annotated Anodyne CCN(CC)CC[C@H](c1ccc(OC)cc1)c1c(OC)cc(OC)c2c(C)cc(=O)oc12 ZINC000013830905 IJ Annotated Anodyne COc1cc(CCc2ccc(C3=Nc4ccccc4C4=NCCN34)cc2)cc(OC)c1OC ZINC000013833383 IJ Annotated Anodyne C=CC(C)(C)c1c(O)cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(CC=C(C)C)c3)oc12 ZINC000013860544 IJ Annotated Mild CN(C(=O)[C@H]1CCc2csc3cccc1c23)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000013860900 IJ Annotated Anodyne Cc1ccccc1-n1nc(C)c(/N=N/c2c(O)cc(S(=O)(=O)O)c3ccccc23)c1O ZINC000013864601 IJ Annotated Clean Cc1cccc(-n2nc(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2O)c1 ZINC000013864602 IJ Annotated Clean Cc1ccc(-n2nc(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2O)cc1 ZINC000013864603 IJ Annotated Clean Cc1nn(-c2ccc(F)cc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864606 IJ Annotated Clean Cc1ccc(-n2ncc(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2O)cc1C ZINC000013864615 IJ Annotated Clean Cc1nc2c(OCc3ccccc3)cccn2c1[C@@H](C)SCCNc1nsnc1N ZINC000013886718 IJ Annotated Anodyne CN(C(=O)C1(C(=O)O)C(c2ccccc2)=C1c1ccccc1)[C@H]1CCCC[C@@H]1N1CCCC1 ZINC000013911804 IJ Annotated Anodyne CC(C)CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)CC(C)C ZINC000013912145 IJ Annotated Anodyne CC(C)CC(=O)O[C@H]1[C@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000013912146 IJ Annotated Anodyne CCCC1=C(c2nnc(C)o2)[C@@H](c2cccc(C#N)c2Br)c2c[nH]nc2N1 ZINC000013975661 IJ Annotated Mild COC(=O)[C@@H]1CCC[C@@H](NCc2cc(/C=C\c3cn(C)c4ccc(Cl)cc34)[nH]n2)C1 ZINC000013976871 IJ Annotated Anodyne COCCN(C)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1 ZINC000013984533 IJ Annotated Anodyne COc1cc(OC)c([C@H]2[C@H](C)O[C@@H](c3cc(OC)c(OC)cc3OC)[C@@H]2C)cc1OC ZINC000135769596 IJ Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)[C@H](C)CC ZINC000135830689 IJ Annotated Anodyne CCCC[C@H](/C=C/C=C(\C)[C@H]1OC(=O)[C@@H](/C=C(C)/C=C/[C@H](O)[C@@H](C)C(C)=O)[C@@H]1C)CO ZINC000136086874 IJ Annotated Anodyne C=C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000136122799 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000136377582 IJ Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C ZINC000136377640 IJ Annotated Mild CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000136377748 IJ Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC(=O)[C@]5(C)[C@H]3[C@H](O)C[C@@]21C ZINC000136377807 IJ Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC(=O)[C@]5(C)[C@H]3[C@H](O)C[C@@]21C ZINC000136377909 IJ Annotated Anodyne CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H]5O[C@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000136454745 IJ Annotated Anodyne COC1=C(O)c2c(n(C)c3ccccc3c2=O)[C@](C/C=C(\C)CCC=C(C)C)(OC)C1=O ZINC000136491923 IJ Annotated Mild C[C@@H]1CC[C@@H]2[C@@H](C)[C@](OCC(F)(F)F)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000136551845 IJ Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCC(F)(F)F)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000136551894 IJ Annotated Reactive C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4OP(=O)(N4CC4)N4CC4)[C@@H]3CC[C@@H]2CC1=O ZINC000136800903 IJ Annotated Anodyne C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2OP(=O)(N2CC2)N2CC2)CC1=O ZINC000136800967 IJ Annotated Anodyne COCC[C@@H]1C(=O)C(=O)[C@H](C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000137069708 IJ Annotated Clean COCC[C@@H]1C(=O)C(=O)[C@@H](C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000137069743 IJ Annotated Clean O=[n+]1c(Sc2ccccc2)c(CBr)n(O)c2cc(C(F)(F)F)ccc21 ZINC000137341562 IJ Annotated Reactive CC(=O)NCCSC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000137423057 IJ Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000137430024 IJ Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000137430096 IJ Annotated Anodyne CC(C)C(=O)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000137516690 IJ Annotated Mild C[C@H]1/C=C/C[C@H](Br)[C@@H]2C[C@@H](Cl)[C@@H](C[C@@H](C=C=CBr)O1)O2 ZINC000137533587 IJ Annotated Reactive CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000137564931 IJ Annotated Anodyne CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@@]21C ZINC000137679564 IJ Annotated Anodyne COc1ccc(C(=O)CCC[C@@H]2OO[C@H]3CCC[C@@](c4ccc(OC)cc4)(OO2)O3)cc1 ZINC000137758865 IJ Annotated Reactive COc1ccc(C(=O)CCC[C@H]2OO[C@H]3CCC[C@@](c4ccc(OC)cc4)(OO2)O3)cc1 ZINC000137758937 IJ Annotated Reactive CO[C@]12C[C@@H](C)CN[C@@H]1[C@@H](C)[C@H]1[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000137921299 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]45O[C@H]4C=CC(=O)[C@]5(C)[C@H]3[C@H](O)C[C@@]21C ZINC000137923585 IJ Annotated Mild CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]45O[C@H]4C=CC(=O)[C@]5(C)[C@H]3[C@H](O)C[C@@]21C ZINC000137923694 IJ Annotated Mild CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)c(-c2ccc(OC)c(O)c2)s1 ZINC000137944619 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(OC)c(O)c2)c(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000137956161 IJ Annotated Anodyne COc1ccc(-c2sc(C(=O)O)cc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000137967597 IJ Annotated Anodyne COc1ccc(-c2cc(C(=O)O)sc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000137967813 IJ 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]4CCCC[C@H]24)[C@]13C(=O)O ZINC000137988829 IJ Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/Cc1c(CCC(=O)c2ccc(O)cc2O)ccc(O)c1O ZINC000138070453 IJ Annotated Mild COC(=O)Nc1csc2c(c1=O)[C@H](/C=C/CC/C(C)=C\C(=O)O)[C@@H]1[C@@H](C)CC[C@H]1C2 ZINC000138205840 IJ Annotated Anodyne CC1=CC(=O)C[C@@H]2[C@@](C)(CC/C(C)=C/Cn3c[n+](C)c4ncnc(N)c43)[C@H](C)CC[C@@]12C ZINC000138254579 IJ Annotated Mild CCC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/CC(C)(C)C(=O)CC/C(C)=C/[C@@H]12 ZINC000138386317 IJ Annotated Mild CCN(CC)CC(=O)N1CCC2(N(C)C)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000138386497 IJ Annotated Anodyne CN(C)C12CCN(C(=O)CN3CCCCC3)C([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2 ZINC000138386742 IJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC)[C@H](C)[C@H](C)C2 ZINC000138721892 IJ Annotated Anodyne CC[C@@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)[C@@H]1OOC(C)(C)[C@@H]1O2 ZINC000138784153 IJ Annotated Reactive CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(OC(F)F)cc1 ZINC000139043137 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(OC(F)F)cc1 ZINC000139043280 IJ Annotated Anodyne CC(C)c1ccc(N(C(=O)Cc2cccnc2)[C@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000139045124 IJ Annotated Anodyne CC(C)c1ccc(N(C(=O)Cc2cccnc2)[C@@H](C(=O)NC(C)(C)C)c2cccnc2)cc1 ZINC000139045234 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cc1cccnc1)c1ccc(F)cc1 ZINC000139053524 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cc1cccnc1)c1ccc(F)cc1 ZINC000139053671 IJ Annotated Anodyne CC(/C=C/C=C(C)/C=C/C=O)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O ZINC000139235363 IJ Annotated Reactive C=C1CC/C=C(\C)CC[C@@H]2C([C@H](C/C=C(\C)C(=O)OC)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000139247686 IJ Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C(=CC[C@H]2C(C)(C)[C@H]1OC(=O)[C@H](C)CCC)CO[C@H]3O ZINC000139255704 IJ Annotated Anodyne Cc1ncsc1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000139310089 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@](C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21CO ZINC000139392866 IJ Annotated Mild CC(=O)N1CCC(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CC1 ZINC000139450962 IJ Annotated Anodyne CN(CCc1ccccn1)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000139531506 IJ Annotated Anodyne COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cncs1 ZINC000139532720 IJ Annotated Mild C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000139574037 IJ Annotated Mild C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000139579239 IJ Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@](C)([C@H](Br)CO)C[C@H]3CC[C@@H]2[C@@]2(C)C[C@@H]12 ZINC000139613257 IJ Annotated Reactive CCNC(=O)Nc1cccc(-c2cnc3cc(-c4nnc(C(F)(F)F)s4)ccn23)c1 ZINC000139648340 IJ Annotated Anodyne Cc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)c(C)n1C ZINC000139692347 IJ Annotated Anodyne CN(C)CCC(=O)n1c2ccccc2sc2ccc(Cl)cc2n1C(=O)CCN(C)C ZINC000139718425 IJ Annotated Bother COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(Cl)c5)cn34)ccnc2c1 ZINC000139734079 IJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)O[C@@](C)(CCC/C(C)=C/C(=O)CC(C)C)[C@@H]2C)c(O)c1 ZINC000139750349 IJ Annotated Mild CC(=O)C[C@@H]1CC(=O)CCC/C(C)=C/[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@@]23C1=O ZINC000139762173 IJ Annotated Anodyne CCN(CC)CCOc1ccc(-c2ncc(F)c(NCc3ccc(F)cc3F)n2)cc1 ZINC000139803085 IJ Annotated Anodyne in-vivo CC(C)(C)OC(=O)N1CC=C(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1 ZINC000139805600 IJ Annotated Anodyne Cc1nsc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000139814753 IJ Annotated Anodyne COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@]1(c2ccccc2)CCCNC1 ZINC000139945839 IJ Annotated Anodyne COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@]1(c2ccccc2)CCCNC1 ZINC000139945986 IJ Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(COCc3ccncc3)c[nH]c(=O)c2Br)c1 ZINC000139966204 IJ Annotated Mild CCCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000014141377 IJ Annotated Mild CCCCCCCCCCCCC[C@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000014141379 IJ Annotated Mild in-vitro biogenic COc1cc2ccc(=O)oc2c(OC)c1OC[C@H]1C(C)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]21C ZINC000014449560 IJ Annotated Anodyne C=C1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000014449588 IJ Annotated Mild in-man C=C1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000014449589 IJ Annotated Mild in-man C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000014449591 IJ Annotated Mild in-man C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000014449593 IJ Annotated Mild in-man C/C(=C\CC[C@]1(C)O[C@@H]1C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000014454972 IJ Annotated Mild C/C(=C\CC[C@@]1(C)O[C@H]1C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000014454973 IJ Annotated Mild in-vitro biogenic C=C[C@](C)(O)CC/C=C(\C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000014454975 IJ Annotated Mild in-vitro biogenic C=C[C@@](C)(O)CC/C=C(\C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000014454976 IJ Annotated Mild in-vitro biogenic C=C(CC/C=C(\C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O)[C@@H](C)O ZINC000014454977 IJ Annotated Mild in-vitro biogenic C=C(CC/C=C(\C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O)[C@H](C)O ZINC000014454978 IJ Annotated Mild in-vitro biogenic C[C@@H]1C[C@H]2[C@]3(C)CC[C@]4(C)C(=CC(=O)c5cc(O)c(O)cc54)[C@@]3(C)CC[C@@]2(C)[C@H](O)C1=O ZINC000140046756 IJ Annotated Mild C[C@]1(OC/C=C/c2ccccc2)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000140064268 IJ Annotated Reactive C[C@@]1(OC/C=C/c2ccccc2)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000140064418 IJ Annotated Reactive C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@@H]1CC[C@@]2(C)OC/C=C/c1ccccc1 ZINC000140064583 IJ Annotated Reactive O=C(NCC1CC1)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1 ZINC000140068335 IJ Annotated Anodyne C/C=C(/C)C(=O)OCC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCC1=CCOC1=O ZINC000140090804 IJ Annotated Anodyne CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(C)/C=C/c1c(Cl)cccc1Cl ZINC000140130228 IJ Annotated Mild in-vitro N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)ccc(O)c3F)n2)C1 ZINC000140167618 IJ Annotated Anodyne COc1ccc2c(c1OC)[C@@H]([C@H]1C=C(C)C(=O)O1)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000140173070 IJ Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(F)c(CCc3ccncc3)[nH]c(=O)c2Br)c1 ZINC000140192162 IJ Annotated Anodyne C[C@]1(O)CC[C@@H]2[C@]34CCC[C@](C)(C(=O)OC3)[C@@H]4CC[C@@]2(C)[C@H]1Cc1cc(O)ccc1O ZINC000140355359 IJ Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(Cl)c3)cc1[C@]21N=C(N)N(C)O1 ZINC000140500576 IJ Annotated Anodyne CCCc1c(-c2ccccc2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 ZINC000140603676 IJ Annotated Anodyne CC(=O)OC[C@H](Br)[C@]1(C)CC=C2[C@H](C1)[C@@H](O)C[C@@H]1[C@]2(C)CC[C@H]2C[C@]21C ZINC000140673056 IJ Annotated Reactive COC1CCC2(CC1)Cc1ccc(Oc3cccc(Cl)c3)cc1[C@]21N=C(N)N(C)O1 ZINC000140675287 IJ Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Oc3cccc(Cl)c3)cc1[C@@]21N=C(N)N(C)O1 ZINC000140675454 IJ Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(F)cc(F)c3F)n2)C1 ZINC000140743498 IJ Annotated Anodyne Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)nc2C)cn1 ZINC000141160998 IJ Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Oc3ccc(Cl)cc3)cc1[C@]21N=C(N)N(C)O1 ZINC000141320496 IJ Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Oc3ccc(Cl)cc3)cc1[C@@]21N=C(N)N(C)O1 ZINC000141320660 IJ Annotated Anodyne CC(=O)OC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(COC(=O)C(C)C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000141363414 IJ Annotated Anodyne COc1cc(-c2nc(Nc3ccc(C(F)(F)F)cc3)n(C)n2)ccc1-n1cnc(C)c1 ZINC000141534719 IJ Annotated Anodyne COc1ccc(C[C@H]2C[N+]3=C(NC[C@H]3C3CCCCC3)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000141592332 IJ Annotated Anodyne COc1ccc(C[C@@H]2C[N+]3=C(NC[C@H]3C3CCCCC3)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000141594555 IJ Annotated Anodyne COc1ccc(C[C@H]2C[N+]3=C(NC[C@@H]3C3CCCCC3)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000141602233 IJ Annotated Anodyne COc1ccc(C[C@@H]2C[N+]3=C(NC[C@@H]3C3CCCCC3)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000141605015 IJ Annotated Anodyne COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(C)n2)ccc1-n1cnc(C)c1 ZINC000141605054 IJ Annotated Anodyne Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2cnn3-c2ccccc2C)nc1 ZINC000141775575 IJ Annotated Anodyne CCNC(=O)COc1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000141826271 IJ Annotated Anodyne CCNC(=O)COc1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000141826470 IJ Annotated Anodyne Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2C#N)cn1 ZINC000141836356 IJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OC(C)(C)C(N)=O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141863649 IJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OC(C)(C)C(N)=O)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141863860 IJ Annotated Anodyne COc1cc(-c2nc(Nc3cccc(C(F)(F)F)c3)n(C)n2)ccc1-n1cnc(C)c1 ZINC000141963721 IJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(=O)N(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141969734 IJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)N(C)C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141969940 IJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC(=O)N(C)C)c2)cc(-c2ccc3ccn(C)c3c2)n1 ZINC000142006629 IJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC(=O)N(C)C)c2)cc(-c2ccc3ccn(C)c3c2)n1 ZINC000142006831 IJ Annotated Anodyne Cc1cc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)no1 ZINC000142012959 IJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-n3nnnc3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142019774 IJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-n3nnnc3C)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142019964 IJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3c(c2)OCCO3)n1 ZINC000142037604 IJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3c(c2)OCCO3)n1 ZINC000142037800 IJ Annotated Anodyne C[C@H](Nc1ncc(F)c(N2C(=O)OCC2(C)C)n1)c1cnc(C(C)(F)F)c(Cl)c1 ZINC000142102613 IJ Annotated Anodyne C[C@H](Nc1ncc(F)c(N2C(=O)O[C@@H](C)C2(C)C)n1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000142103004 IJ Annotated Anodyne C[C@H](Nc1ncc(F)c(N2C(=O)O[C@H](C)C2(C)C)n1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000142103195 IJ Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@H]2OC ZINC000142224254 IJ Annotated Anodyne Cc1ccc(-n2ncc3c(-c4ccc(C)cn4)cc(C(=O)NCc4cnc(C)cn4)cc32)cc1 ZINC000142238862 IJ Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2cnn3-c2ccccc2C(C)C)nc1 ZINC000142239541 IJ Annotated Anodyne CCNc1nc2ccc(OC)cc2cc1Cc1c(O)nc(C)c2cc(OC)c(OC)cc12 ZINC000142282918 IJ Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3c(c2)N(C)CCO3)n1 ZINC000142410846 IJ Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccc3c(c2)N(C)CCO3)n1 ZINC000142411044 IJ Annotated Anodyne COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(\C)CC[C@@H]1OC1(C)C ZINC000142500013 IJ Annotated Bother C[C@H]1CC=C(C(=O)NS(=O)(=O)C(F)(F)F)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 ZINC000142518138 IJ Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H]2COCc3ccccc32)cn1 ZINC000142586639 IJ Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H]2COCc3ccccc32)cn1 ZINC000142586845 IJ Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N(C)C(=O)C(C)(C)C)c2)cc1 ZINC000142625965 IJ Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N(C)C(=O)C(C)(C)C)c2)cc1 ZINC000142626179 IJ Annotated Anodyne COC[C@@H](C)NC(=O)c1cc(NC(=O)c2cscc2OC)cc(-c2ccc(C)cc2)c1 ZINC000142626909 IJ Annotated Anodyne COC[C@H](C)NC(=O)c1cc(NC(=O)c2cscc2OC)cc(-c2ccc(C)cc2)c1 ZINC000142627113 IJ Annotated Anodyne Cc1ccc(-c2cc(C(=O)NCc3cnccn3)cc(N(C)C(=O)C(C)C)c2)c(Cl)c1 ZINC000142655622 IJ Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)c(F)c1 ZINC000142656262 IJ Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cnccn3)cc(N(C)C(=O)C(C)C)c2)c(F)c1 ZINC000142656435 IJ Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000142657855 IJ Annotated Anodyne CC(C)C(=O)N(C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(F)cc2F)c1 ZINC000142660560 IJ Annotated Anodyne CC(C)C(=O)N(C)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(F)cc2F)c1 ZINC000142660747 IJ Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3cc(CO)ncn3)ccc21 ZINC000142725059 IJ Annotated Anodyne CCNC(=O)COc1cccc([C@@H](C)Nc2cc(-c3ccc4ccn(C)c4c3)nc(C)n2)c1 ZINC000142800815 IJ Annotated Anodyne CCNC(=O)COc1cccc([C@H](C)Nc2cc(-c3ccc4ccn(C)c4c3)nc(C)n2)c1 ZINC000142801013 IJ Annotated Anodyne CC(=O)OCC1=C[C@H]([C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C=C[C@@]2(C)O)O[C@@H]2C=C(C)C(=O)C[C@H]12 ZINC000142803434 IJ Annotated Mild C[C@H](NC(=O)N1CCc2cccnc2[C@H]1c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC000142822528 IJ Annotated Mild CC(=O)OC[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@H](COC(=O)C(C)C)C3 ZINC000142842609 IJ Annotated Anodyne COc1c(NC(=O)NC2Cc3ccccc3C2)cc(C(C)(C)C)cc1[C@@H](O)C(F)(F)F ZINC000142890690 IJ Annotated Anodyne COc1c(NC(=O)NC2Cc3ccccc3C2)cc(C(C)(C)C)cc1[C@H](O)C(F)(F)F ZINC000142890925 IJ Annotated Anodyne CC[C@@H](C)C(=O)N(C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000142977451 IJ Annotated Anodyne CC[C@H](C)C(=O)N(C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000142977669 IJ Annotated Anodyne CC[C@@H](C)C(=O)N(C)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000142977912 IJ Annotated Anodyne CC[C@H](C)C(=O)N(C)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000142978127 IJ Annotated Anodyne Cn1nc2c(c1-c1ccccc1Cl)-c1nc(Nc3cnc4ccccn34)ncc1CC2 ZINC000143029027 IJ Annotated Anodyne Cn1nc(C2CC2)cc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143044221 IJ Annotated Anodyne CCc1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1 ZINC000143144778 IJ Annotated Anodyne CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)s1 ZINC000143194915 IJ Annotated Anodyne O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1Oc1ccc(F)c(F)c1F ZINC000143221623 IJ Annotated Anodyne Cc1cc(-c2cnn(CC(C)(C)C(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143278584 IJ Annotated Anodyne Cc1cc(-c2cnn(CC(C)(C)C(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143278769 IJ Annotated Anodyne COc1cc(-c2cnn(C(C)(C)CC(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143278978 IJ Annotated Anodyne COc1cc(-c2cnn(C(C)(C)CC(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143279180 IJ Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@H](Nc1cc(-c3ccc4ncsc4c3)nc(C)n1)CCO2 ZINC000143323519 IJ Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@H](Nc1cc(-c3ccc4ncsc4c3)nc(C)n1)CCO2 ZINC000143323748 IJ Annotated Anodyne CC(C)(CC(=O)O)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000143339775 IJ Annotated Anodyne CC(C)(CC(=O)O)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000143339961 IJ Annotated Anodyne Cc1cc(-c2cnn(C(C)(C)CC(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143368627 IJ Annotated Anodyne Cc1cc(-c2cnn(C(C)(C)CC(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143368760 IJ Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ncc(C(=O)NC(C)C)cc1Br ZINC000143376789 IJ Annotated Anodyne CN1Cc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4nc(C(F)(F)F)ccc43)cc2NC1=O ZINC000143399353 IJ Annotated Anodyne CCN(C(=O)C(C)C)c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000143409341 IJ Annotated Anodyne CCN(C(=O)C(C)C)c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000143409536 IJ Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3C[C@@](C)(C(F)(F)F)Oc4ccccc43)cc21 ZINC000143452624 IJ Annotated Anodyne O=C1CCc2ccc(NC(=O)N[C@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cc2N1 ZINC000143471044 IJ Annotated Anodyne O=C(NCc1ccncc1)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1-c1ccccc1 ZINC000143477568 IJ Annotated Anodyne O=C(NCc1ccncc1)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1-c1ccccc1 ZINC000143477784 IJ Annotated Anodyne C[C@]1(C(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(Cl)cc2O1 ZINC000143479791 IJ Annotated Anodyne C[C@@]1(C(F)F)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(Cl)cc2O1 ZINC000143491032 IJ Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3C[C@](C)(C(F)(F)F)Oc4ccccc43)cc21 ZINC000143496208 IJ Annotated Anodyne O=C(O)c1ccc2nc(-c3ccc4c(c3)OCCO4)c(N3CCCc4ccccc43)nc2c1 ZINC000143497239 IJ Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)c2cc(F)ccc2O1 ZINC000143502754 IJ Annotated Anodyne COc1ccc2c(c1)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]2C(=O)NC(C)(C)C ZINC000143521174 IJ Annotated Anodyne COc1ccc2c(c1)C(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]2C(=O)NC(C)(C)C ZINC000143521341 IJ Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)c2cccc(F)c2O1 ZINC000143537056 IJ Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4c3ccc(F)c4Cl)cc21 ZINC000143543605 IJ Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](NC(C)C)CC2 ZINC000143544671 IJ Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](NC(C)C)CC2 ZINC000143544878 IJ Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](NC(C)C)CC2 ZINC000143545077 IJ Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](NC(C)C)CC2 ZINC000143545295 IJ Annotated Anodyne O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCc4cc5c(cc43)OCO5)nc2c1 ZINC000143560954 IJ Annotated Anodyne C[C@H](NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1)C(F)(F)F ZINC000143598760 IJ Annotated Anodyne CN1Cc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4c3ccc(F)c4Cl)cc2NC1=O ZINC000143605699 IJ Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3C[C@@](C)(CF)Oc4cc(Cl)ccc43)cc21 ZINC000143622212 IJ Annotated Anodyne O=C1CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cc2N1 ZINC000143685597 IJ Annotated Anodyne c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCN6)cc5o4)cc3)[nH]c2cc1C1=NCCN1 ZINC000143819694 IJ Annotated Anodyne C#CCN(Cc1ccc(O)c2ncccc12)[C@H](C#N)CC1CCN(Cc2ccccc2)CC1 ZINC000143819734 IJ Annotated Mild C#CCN(Cc1ccc(O)c2ncccc12)[C@@H](C#N)CC1CCN(Cc2ccccc2)CC1 ZINC000143819941 IJ Annotated Mild O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C23CC4CC(CC(C4)C2)C3)c1=O ZINC000143848618 IJ Annotated Anodyne CC1(C)CC(N2[C@H]3CC[C@@H]2C[C@H](n2c(=O)c(C(=O)O)nc4ccccc42)C3)CC(C)(C)C1 ZINC000143927684 IJ Annotated Anodyne CCN(c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1)c1cnccn1 ZINC000144102262 IJ Annotated Anodyne CCN(c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1)c1cnccn1 ZINC000144102452 IJ Annotated Anodyne O=C(c1c(Cl)ccc(F)c1F)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000144155637 IJ Annotated Anodyne Clc1cccc(CN2CCN(c3nc4ccccc4nc3Nc3cccnc3)CC2)c1 ZINC000144166775 IJ Annotated Anodyne Clc1cc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c(Cl)s1 ZINC000144168125 IJ Annotated Anodyne Fc1ccc(CC2CCN(c3nc4cnc(Cl)cc4nc3NC3CC3)CC2)c(F)c1 ZINC000144266898 IJ Annotated Anodyne Cc1cc(Nc2nccc(-c3cc(C(C)(C)C#N)ccn3)n2)cc2cc(C(=O)N(C)C)[nH]c12 ZINC000144299140 IJ Annotated Mild N#Cc1cc2nc(NC3CC3)c(N3CCC([C@H](F)c4ccc(F)cc4F)CC3)nc2cn1 ZINC000144305731 IJ Annotated Anodyne N#Cc1cc2nc(NC3CC3)c(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)nc2cn1 ZINC000144306366 IJ Annotated Anodyne Cc1c(O)ccc2c1C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]2C(=O)NC(C)(C)C ZINC000144312749 IJ Annotated Anodyne Cc1c(O)ccc2c1C(=O)N(Cc1ccccc1-c1ccccc1)[C@@H]2C(=O)NC(C)(C)C ZINC000144312950 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000144322125 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000144322336 IJ Annotated Anodyne CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc43)cc21 ZINC000144334215 IJ Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2)nc2ccc(C(F)(F)F)cc21 ZINC000144372436 IJ Annotated Anodyne CN1Cc2ccc(NC(=O)N[C@@H]3C[C@](C)(C(F)(F)F)Oc4ccccc43)cc2NC1=O ZINC000144373763 IJ Annotated Anodyne O=C(c1c(F)cc(Cl)cc1F)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000144383966 IJ Annotated Anodyne N#Cc1cc2nc(N3CCC([C@H](F)c4ccc(F)cc4F)CC3)c(NC3CC3)nc2cn1 ZINC000144399958 IJ Annotated Anodyne N#Cc1cc2nc(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)c(NC3CC3)nc2cn1 ZINC000144400175 IJ Annotated Anodyne Fc1ccc(C(F)(F)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c(F)c1 ZINC000144451238 IJ Annotated Anodyne N#Cc1ccc2nc(NCC(F)F)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2c1 ZINC000144498170 IJ Annotated Anodyne CSc1ccc(F)c(C(=O)C2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1 ZINC000144519104 IJ Annotated Anodyne Clc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1 ZINC000144519513 IJ Annotated Anodyne COc1cnc2ccc(C(F)(F)c3nnc4c(F)cc(-c5cc(C)no5)cn34)cc2c1 ZINC000144528705 IJ Annotated Anodyne COc1cnc2ccc(C(F)(F)c3nnc4c(F)cc(-c5cscn5)cn34)cc2c1 ZINC000144529348 IJ Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1 ZINC000144536858 IJ Annotated Anodyne CCC[C@@H](O)c1ncc(-c2cc(-c3ccccn3)c3sc(NC(=O)NCC)nc3c2)cn1 ZINC000144680680 IJ Annotated Anodyne CCC[C@H](O)c1ncc(-c2cc(-c3ccccn3)c3sc(NC(=O)NCC)nc3c2)cn1 ZINC000144680891 IJ Annotated Anodyne Cc1ccc(NC(=O)N2CCC[C@H]2CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144686302 IJ Annotated Anodyne Cc1ccc(NC(=O)N2CCC[C@@H]2CO)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144686503 IJ Annotated Anodyne Clc1cccc(CN2CCN(c3nc4cccnc4nc3Nc3ccccc3)CC2)c1 ZINC000144766106 IJ Annotated Anodyne Clc1cccc(Cl)c1CN1CCN(c2nc3ccccc3nc2NC2CC2)CC1 ZINC000144779915 IJ Annotated Anodyne Cc1cc(-c2cnn(C3(CO)CCCC3)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144884924 IJ Annotated Anodyne Cc1cc(-c2cnn(C3(CO)CCCC3)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144885158 IJ Annotated Anodyne OCC1(n2cc(-c3cc(F)cc4c3-c3ccccc3[C@]4(O)C(F)(F)F)cn2)CCCC1 ZINC000144886201 IJ Annotated Anodyne OCC1(n2cc(-c3cc(F)cc4c3-c3ccccc3[C@@]4(O)C(F)(F)F)cn2)CCCC1 ZINC000144886436 IJ Annotated Anodyne O=C(O)C1(n2cc(-c3cc(F)cc4c3-c3ccccc3[C@]4(O)C(F)(F)F)cn2)CCCC1 ZINC000144886634 IJ Annotated Anodyne O=C(O)C1(n2cc(-c3cc(F)cc4c3-c3ccccc3[C@@]4(O)C(F)(F)F)cn2)CCCC1 ZINC000144886827 IJ Annotated Anodyne CCn1cc(-c2cc(OCCCC(=O)O)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144888296 IJ Annotated Anodyne CCn1cc(-c2cc(OCCCC(=O)O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144888501 IJ Annotated Anodyne CCOc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144899224 IJ Annotated Anodyne CCOc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144899425 IJ Annotated Anodyne Cc1cc(-c2cnn(CCCCC(=O)O)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144907520 IJ Annotated Anodyne Cc1cc(-c2cnn(CCCCC(=O)O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144907716 IJ Annotated Anodyne CC(C)(Cn1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1)C(=O)O ZINC000144907920 IJ Annotated Anodyne CC(C)(Cn1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1)C(=O)O ZINC000144908138 IJ Annotated Anodyne CC(C)(O)C(C)(C)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144937563 IJ Annotated Anodyne CC(C)(O)C(C)(C)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144937772 IJ Annotated Anodyne C=C[C@H](c1ccc(O)cc1)c1c(O)cc(OC)c(C(=O)CCc2ccc(OC)cc2)c1O ZINC000014557327 IJ Annotated Mild CNCCc1ccc2c(c1)[C@@H]1C[C@]3(C)C[C@@H](c4cc(CCNC)ccc4O3)[C@H]1C(C)(C)O2 ZINC000014557538 IJ Annotated Anodyne CCC[C@@H](CC(=O)O)c1c2c(c(OC(C)=O)c3c1O[C@@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 ZINC000014557654 IJ Annotated Anodyne in-vitro biogenic CCC[C@H](CC(=O)O)c1c2c(c(OC(C)=O)c3c1O[C@@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 ZINC000014557657 IJ Annotated Anodyne CCC[C@H](CC(=O)O)c1c2c(c(OC(C)=O)c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 ZINC000014557662 IJ Annotated Anodyne CC[C@@H](OC(C)=O)c1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12 ZINC000014586042 IJ Annotated Anodyne in-man endogenous CC[C@H](OC(C)=O)c1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12 ZINC000014586043 IJ Annotated Anodyne in-man endogenous CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@@H](CC)OC(C)=O)cc(=O)oc12 ZINC000014586069 IJ Annotated Anodyne in-man endogenous CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@@H](CC)OC(C)=O)cc(=O)oc12 ZINC000014586071 IJ Annotated Anodyne in-man endogenous CC[C@H](OC(C)=O)c1cc(=O)oc2c(C(=O)[C@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 ZINC000014586072 IJ Annotated Anodyne in-man endogenous CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@H](CC)OC(C)=O)cc(=O)oc12 ZINC000014586074 IJ Annotated Anodyne in-man endogenous CC[C@@H](OC(C)=O)c1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)OC(C)(C)C=C3 ZINC000014586133 IJ Annotated Anodyne COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc(CC(C)C)n2)n1)OC ZINC000014588155 IJ Annotated Anodyne COC(=O)c1c2c(c3ccccc3c1O)O[C@@H](C=C(C)C)C1=C2C(=O)c2ccccc2C1=O ZINC000014594112 IJ Annotated Mild in-vitro biogenic CC(C)=C[C@H](O)c1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 ZINC000014610285 IJ Annotated Anodyne COc1cc(OC)c([C@@H]2[C@@H](C)[C@@H](C)[C@@H]2c2cc(OC)c3c(c2OC)OCO3)cc1OC ZINC000014610331 IJ Annotated Anodyne in-vitro biogenic COc1ccc(C(=O)[C@H]2C(=O)O[C@](C)(CCC/C(C)=C/C(=O)CC(C)C)[C@@H]2C)c(O)c1 ZINC000014636266 IJ Annotated Mild COc1cc([C@H]2OC[C@H]3[C@@H](c4ccc(OCC=C(C)C)c(OC)c4)OC[C@H]23)ccc1O ZINC000014657771 IJ Annotated Anodyne in-vitro biogenic COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(OCC=C(C)C)c(OC)c4)OC[C@H]23)ccc1O ZINC000014657779 IJ Annotated Anodyne COc1cc(C(=O)C[C@H](OC)c2ccc3c(c2)OCO3)c(OC)c2c1OC(C)(C)C=C2 ZINC000014677192 IJ Annotated Anodyne COc1cc(C(=O)C[C@@H](OC)c2ccc3c(c2)OCO3)c(OC)c2c1OC(C)(C)C=C2 ZINC000014677194 IJ Annotated Anodyne CCCCCc1cc(O)c(OC(=O)c2c(CCC)cc(OC)cc2OC)c(O)c1C(=O)O ZINC000014685109 IJ Annotated Anodyne CCCCCc1cc(OC)c(OC(=O)c2c(O)cc(OC)cc2CCC)c(O)c1C(=O)O ZINC000014685110 IJ Annotated Anodyne CCCCCc1cc(OC)c(OC(=O)c2c(CCC)cc(O)cc2OC)c(O)c1C(=O)O ZINC000014685117 IJ Annotated Anodyne O=C(C1=N/C(=C\c2c[nH]c3cc(O)ccc23)C(O)=N1)c1c[nH]c2ccc(Br)cc12 ZINC000014686765 IJ Annotated Anodyne CC1(C)c2[nH]c(Br)nc2/C=C\N2C(=O)C[C@H]3c4ccccc4N[C@]32C[C@H]1Cl ZINC000014695301 IJ Annotated Reactive Cc1c(O)c(C(=O)C(C)C)c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000014695529 IJ Annotated Mild Cc1c(O)c(C(=O)C(C)C)c(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000014695531 IJ Annotated Mild CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CC)O2 ZINC000014718396 IJ Annotated Anodyne COc1c([C@@H](CC(C)C)OC(C)=O)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O ZINC000014721425 IJ Annotated Anodyne COc1c([C@H](CC(C)C)OC(C)=O)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O ZINC000014721427 IJ Annotated Anodyne COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CCC(C)(C)O ZINC000014727632 IJ Annotated Bother COc1cc2oc3cc(O)c(OC)c(CCC(C)(C)O)c3c(=O)c2c(O)c1CC=C(C)C ZINC000014727634 IJ Annotated Bother Cn1c(Br)c(C[N+](C)(C)[O-])c2cc(Br)c(Br)cc21 ZINC000014769646 IJ Annotated Bother COc1ccc2c(c1)C(=O)c1c(NCCc3ccc(O)cc3)c(OC)cc3ccnc-2c13 ZINC000014824849 IJ Annotated Clean in-vitro biogenic COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]3CCCCN3[C@H]2C1 ZINC000014828688 IJ Annotated Anodyne in-man endogenous COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]3CCCCN3[C@@H]2C1 ZINC000014828690 IJ Annotated Anodyne in-man endogenous COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@@H]3CCCCN3[C@H]2C1 ZINC000014828692 IJ Annotated Anodyne in-man endogenous COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@@H]3CCCCN3[C@@H]2C1 ZINC000014828693 IJ Annotated Anodyne in-man endogenous COc1cc2c(cc1OC)[C@H]1C[C@@H](C[C@@H]3CCCCN31)OC(=O)CCc1ccc(O)c-2c1 ZINC000014828727 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)CCc1ccc(O)c-2c1 ZINC000014828729 IJ Annotated Anodyne in-vitro biogenic CC1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@@](C)(O)[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@@]12O ZINC000014884035 IJ Annotated Anodyne in-vitro biogenic COc1ccc(C2=C3C(=C(c4ccccc4)C(=O)C4=C3c3ccccc3CO4)OC2=O)cc1 ZINC000014885833 IJ Annotated Mild Nc1ccccc1CO[C@H]1C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F ZINC000014944001 IJ Annotated Mild Nc1cccc(CO[C@H]2C(=O)Nc3ccc(Cl)cc3[C@@]2(C#CC2CC2)C(F)(F)F)c1 ZINC000014944003 IJ Annotated Mild CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)CSc1ccccc1NC(=O)C(C)(C)C ZINC000014944197 IJ Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1C[C@H](O)CSc1ccccc1NC(=O)C(C)(C)C ZINC000014944200 IJ Annotated Anodyne O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1C[C@@H](CCl)C3 ZINC000014945620 IJ Annotated Reactive O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1C[C@H](CCl)C3 ZINC000014945621 IJ Annotated Reactive FC(F)(F)Oc1ccc(Nc2nnc(-c3cccnc3CCc3ccncc3)o2)cc1 ZINC000014946590 IJ Annotated Anodyne FC(F)(F)Oc1ccc(Nc2nnc(-c3ccncc3CCc3ccncc3)o2)cc1 ZINC000014946593 IJ Annotated Anodyne FC(F)(F)Oc1ccc(Nc2nnc(-c3cnccc3CCc3ccncc3)o2)cc1 ZINC000014946596 IJ Annotated Anodyne Cc1ncoc1C(=O)N1CCC[C@@H](c2nc(-c3cccnc3)ncc2-c2ccccc2F)C1 ZINC000014950505 IJ Annotated Anodyne Cc1ncoc1C(=O)N1CCC[C@H](c2nc(-c3cccnc3)ncc2-c2ccccc2F)C1 ZINC000014950509 IJ Annotated Anodyne CC1=C(C(=O)Nc2cc(Cl)c3[nH]ncc3c2)[C@@H](c2ccc(C(F)(F)F)cc2)CC(=O)N1 ZINC000014954396 IJ Annotated Anodyne CC1=C(C(=O)Nc2cc(Cl)c3[nH]ncc3c2)[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)N1 ZINC000014954400 IJ Annotated Anodyne CCn1c(=O)n(CC)c2cc(-c3[nH]c(C4CCNCC4)nc3-c3cccc(C)c3)ccc21 ZINC000014958520 IJ Annotated Clean CCn1c(=O)n(CC)c2cc(-c3c(-c4cccc(C)c4)nc(C4CCNCC4)n3C)ccc21 ZINC000014958605 IJ Annotated Anodyne O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000014959331 IJ Annotated Anodyne O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000014959335 IJ Annotated Anodyne Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000014961247 IJ Annotated Anodyne Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000014961251 IJ Annotated Anodyne CCOC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 ZINC000145095471 IJ Annotated Anodyne CCC[C@@H](C)COc1ccc([C@H](CNCc2cc[nH]n2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145247613 IJ Annotated Anodyne CCC[C@H](C)COc1ccc([C@H](CNCc2cc[nH]n2)NC(=O)[C@@H](C)c2ccccc2)cc1 ZINC000145247819 IJ Annotated Anodyne CC(C)(Cl)[C@H](Br)C[C@H](Br)[C@@](C)(O)/C=C/Br ZINC000145296745 IJ Annotated Reactive C=C1CC/C=C(\C)CC[C@@H]2C([C@@H](C/C=C(\C)C(=O)OC)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12 ZINC000145423641 IJ Annotated Mild O=C(Cn1cccn1)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145464385 IJ Annotated Anodyne O=C(Cn1cccn1)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145464622 IJ Annotated Anodyne NC[C@@H]1CCCN1C(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145480418 IJ Annotated Anodyne NC[C@H]1CCCN1C(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145480606 IJ Annotated Anodyne CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@@H](C2=C[C@@H]3O[C@@]34C[C@@H](O)CC[C@]4(C)C2=O)[C@]1(C)CCO ZINC000145525571 IJ Annotated Mild CCc1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(-c4ccc(C)nc4)c3)c2n1 ZINC000145560543 IJ Annotated Anodyne NC(=O)c1ccc(-c2nccc3c(-c4cccnc4)cccc23)cc1NC1CCC(O)CC1 ZINC000145571678 IJ Annotated Anodyne CC(C)(NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(=O)O ZINC000145572721 IJ Annotated Anodyne CC(C)c1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(-c4cccnc4)c3)c2n1 ZINC000145585693 IJ Annotated Anodyne O=C(CN1CCCC1)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145591821 IJ Annotated Anodyne O=C(CN1CCCC1)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145592009 IJ Annotated Anodyne Cc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1 ZINC000145596348 IJ Annotated Anodyne Cc1ccccc1[C@H]1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1 ZINC000145596582 IJ Annotated Anodyne O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N1CCC[C@H]1CO ZINC000145599952 IJ Annotated Anodyne CC1(C)CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CCN1 ZINC000145668859 IJ Annotated Anodyne O=C(O)c1ccc(-c2nn(S(=O)(=O)c3ccccc3C(F)(F)F)c3ccccc23)cc1 ZINC000146202395 IJ Annotated Anodyne CC(C)C[C@@]1(C(=O)NCCc2ccncc2)N=CN(CC2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000146314905 IJ Annotated Anodyne Cc1ccccc1N1CCc2nc(-c3c(C)cccc3C)nc(N(C)CC(C)(C)O)c2C1 ZINC000146373898 IJ Annotated Anodyne CCCCOc1ccc2[nH]c(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)cc2c1 ZINC000146559302 IJ Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(-n4cccn4)cc3)o2)[C@H](C)O)c(C)c1Cl ZINC000146605213 IJ Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NC(C)=O)cc3)o2)[C@@H](C)O)c(C)c1Cl ZINC000146638618 IJ Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(NC(C)=O)cc3)o2)[C@H](C)O)c(C)c1Cl ZINC000146642032 IJ Annotated Anodyne Cc1cc(N2CCc3nc(-c4c(C)cccc4C)nc(N4CCCC(C)(C)C4)c3C2)n(C)n1 ZINC000146925007 IJ Annotated Anodyne COc1cccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)n1 ZINC000147043654 IJ Annotated Anodyne Cn1cncc1/C=C/c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000147083484 IJ Annotated Anodyne C[C@@H](CC(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)O)C(Cl)(Cl)Cl ZINC000147101066 IJ Annotated Anodyne C[C@@H](CC(=O)N(C)[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)O)C(Cl)(Cl)Cl ZINC000147101240 IJ Annotated Anodyne C=C1C[C@@](C)(c2cncc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)c2)N=C(N)S1 ZINC000147124078 IJ Annotated Mild CNc1cc2nc(C)c(-c3cc(NC(=O)NC[C@@H](O)C(C)(C)C)c(F)cc3C)cc2cn1 ZINC000147212115 IJ Annotated Anodyne C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000147219976 IJ Annotated Anodyne O=C(NC1(Cc2ccccc2)CC1)c1nccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000147466988 IJ Annotated Anodyne CCc1c(N(CCC2CC2)S(=O)(=O)c2ccccc2)nc2c(C(F)(F)F)cccn12 ZINC000147689484 IJ Annotated Anodyne NC(=O)c1cccnc1COc1cc(-c2ccc(C3(N)CC3)c(Cl)c2)cc2ncccc12 ZINC000147818624 IJ Annotated Anodyne Cc1nc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc2s1 ZINC000147821874 IJ Annotated Anodyne C[C@@H](Oc1cc(-c2ccc3[nH]c(C(F)(F)F)nc3c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147823587 IJ Annotated Anodyne COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)ccc1C(F)(F)F ZINC000147825350 IJ Annotated Anodyne CC1(CNc2nc(-c3cc(N[C@@H]4CC[C@H](N)CC4)ncc3Cl)ccc2F)CCOCC1 ZINC000147928563 IJ Annotated Anodyne CC(C)(CNC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1)c1ccccn1 ZINC000148002325 IJ Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(c2nnc(-c3ccccc3)o2)C1=O ZINC000148025308 IJ Annotated Anodyne Cc1cccc(CCNC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)n1 ZINC000148055458 IJ Annotated Anodyne CNCCc1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1F ZINC000149238854 IJ Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc([C@@H]3CC[C@@H](N)CC3)o2)cc1 ZINC000149621043 IJ Annotated Anodyne C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C(C)(F)F ZINC000149638036 IJ Annotated Clean C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)C(C)(F)F ZINC000149638209 IJ Annotated Clean C[C@@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)Cc1cc[nH]c1 ZINC000149638890 IJ Annotated Clean C[C@H](Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1)NC(=O)Cc1cc[nH]c1 ZINC000149639099 IJ Annotated Clean Cc1nocc1C(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149640547 IJ Annotated Clean Cc1nocc1C(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149640758 IJ Annotated Clean Cc1oncc1C(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149644642 IJ Annotated Clean Cc1oncc1C(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149644803 IJ Annotated Clean O=C1c2ccc(/N=C/N3CCCCC3)cc2C(=O)c2ccc(/N=C/N3CCCCC3)cc21 ZINC000149793528 IJ Annotated Mild Cc1nc2ccccc2nc1-c1cc2nc(C3=CCCC3)cc(NC3CCOCC3)n2n1 ZINC000149825547 IJ Annotated Anodyne Cc1nocc1C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149934764 IJ Annotated Clean C[C@H](NC(=O)[C@@H]1CCCCO1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149978332 IJ Annotated Clean C[C@H](NC(=O)[C@H]1CCCCO1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 ZINC000149978527 IJ Annotated Clean CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3(C)CC3)ccc2F)cc1 ZINC000149993022 IJ Annotated Anodyne COc1cc([C@@H]2O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C)[C@H]2C)cc(OC)c1OC ZINC000001531912 IJ Annotated Anodyne COc1cc(OC)c([C@H]2[C@@H](C)O[C@@H](c3cc(OC)c(OC)cc3OC)[C@@H]2C)cc1OC ZINC000001531926 IJ Annotated Anodyne C/C(=C\C(=O)O)c1cc(CC(=O)N(C)CCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000001533330 IJ Annotated Anodyne COc1ccc(OCCCCOc2ccc3c(c2NC(=O)C(C)(C)C)OCCC3=O)cc1 ZINC000001540190 IJ Annotated Anodyne CCCCCC(=O)OCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000001541602 IJ Annotated Anodyne Cc1nc2c(OCc3ccccc3)cccn2c1[C@H](C)SCCNc1nsnc1N ZINC000001547032 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C[C@@H](C[C@@H]3CCCCN31)OC(=O)C=Cc1ccc(O)c-2c1 ZINC000001561242 IJ Annotated Anodyne O=C(CCc1cc(-c2ccco2)n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1)Nc1ccccc1 ZINC000001620601 IJ Annotated Bother COc1ccccc1[C@](O)(c1ccccc1)[C@@](O)(c1ccccc1)c1ccccc1OC ZINC000001626227 IJ Annotated Anodyne COc1ccccc1[C@@](O)(c1ccccc1)[C@](O)(c1ccccc1)c1ccccc1OC ZINC000001626228 IJ Annotated Anodyne Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1\N=C(/C=C/c2ccccc2)OC(=O)N1 ZINC000001629738 IJ Annotated Mild COc1cc(CCC[C@H](O)COc2cccc3c2[C@@]2(O)CCCCC[C@@H]32)cc(OC)c1 ZINC000001634628 IJ Annotated Anodyne CC1=N/C(=C/c2cccc(Cl)c2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O ZINC000001635958 IJ Annotated Anodyne C[C@H]1C[C@@H](Nc2ccc(Br)cc2)N(C(=O)c2ccc(Br)cc2)O1 ZINC000001636386 IJ Annotated Anodyne C[C@@H]1C[C@@H](Nc2ccc(Br)cc2)N(C(=O)c2ccc(Br)cc2)O1 ZINC000001636387 IJ Annotated Anodyne C[C@H]1C[C@H](Nc2ccc(Br)cc2)N(C(=O)c2ccc(Br)cc2)O1 ZINC000001636388 IJ Annotated Anodyne C[C@@H]1C[C@H](Nc2ccc(Br)cc2)N(C(=O)c2ccc(Br)cc2)O1 ZINC000001636389 IJ Annotated Anodyne CN1N=C(c2ccccc2)c2cc(Cl)ccc2N=C1N/N=C/c1ccc(N(C)C)cc1 ZINC000001637767 IJ Annotated Mild O=C1C[C@]2(CC[C@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)C2)C(=O)c2ccccc2N1 ZINC000001648839 IJ Annotated Anodyne Cc1ccc(O[C@H]2C[C@@H](n3cnc4ncnc(Cl)c43)O[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000001650309 IJ Annotated Anodyne CCOC(=O)c1sc2nc(SC)nc3c2c1ncn3-c1ccc(Br)cc1 ZINC000001651338 IJ Annotated Anodyne Cc1c2c(n(CCc3ccc(Cl)cc3)c1C)N[C@H](c1ccccc1)[C@H](C#N)S2(=O)=O ZINC000001653563 IJ Annotated Mild Cc1c2c(n(CCc3ccc(Cl)cc3)c1C)N[C@@H](c1ccccc1)[C@H](C#N)S2(=O)=O ZINC000001653564 IJ Annotated Mild Cc1c2c(n(CCc3ccc(Cl)cc3)c1C)N[C@H](c1ccccc1)[C@@H](C#N)S2(=O)=O ZINC000001653565 IJ Annotated Mild Cc1c2c(n(CCc3ccc(Cl)cc3)c1C)N[C@@H](c1ccccc1)[C@@H](C#N)S2(=O)=O ZINC000001653566 IJ Annotated Mild CCN(CC)C(=S)S[C@H](C(=O)Nc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000001658295 IJ Annotated Anodyne O=C(Nc1nnc(-c2ccccc2)o1)[C@@H](SC(=S)N1CCCCC1)c1ccccc1 ZINC000001658297 IJ Annotated Anodyne Cc1ccc(S[C@@H](C)[C@@](O)(CF)CN(Cc2ccccc2)C(=O)C(F)(F)F)cc1 ZINC000001658738 IJ Annotated Anodyne NC(=O)[C@H](Nc1ccc(Cl)cc1)c1cc2cc(Br)ccc2nc1Cl ZINC000001660631 IJ Annotated Anodyne O=C1C[C@H](c2ccc(Cl)cc2)C2(C(=O)NC(=S)N=C2O)[C@@H](c2ccc(Cl)cc2)C1 ZINC000001662047 IJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C=C(c2cc(C)ccc2O)C[C@@H]1c1cccc(Br)c1 ZINC000001662710 IJ Annotated Mild CCOC(=O)[C@H]1C(=O)C=C(c2cc(C)ccc2O)C[C@@H]1c1cccc(Br)c1 ZINC000001662711 IJ Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(c2cc(C)ccc2O)C[C@H]1c1cccc(Br)c1 ZINC000001662712 IJ Annotated Mild CCOC(=O)[C@H]1C(=O)C=C(c2cc(C)ccc2O)C[C@H]1c1cccc(Br)c1 ZINC000001662713 IJ Annotated Mild CCN(CC)CCO[C@@H](c1cc(OC)ccc1OC)c1ccc2n1-c1ccccc1OC2 ZINC000001662787 IJ Annotated Clean BrC1=CN2C[n+]3cc(Br)c4ccccc4c3N=C2c2ccccc21 ZINC000001663452 IJ Annotated Anodyne O=c1c2cc(I)ccc2nc(-c2cccs2)n1Nc1ccccc1 ZINC000001663528 IJ Annotated Anodyne COC(=O)c1c2c(cc3c1CC1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCCC4)CCCC2 ZINC000001855662 IJ Annotated Anodyne O=S(=O)(c1ccccc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000001860788 IJ Annotated Bother O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NCc1ccccc1 ZINC000001860801 IJ Annotated Bother CC(C)CCNC(=O)c1ccc(CNC(=O)/C=C/c2csc(-c3ccccc3)n2)cc1 ZINC000001862871 IJ Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000001863298 IJ Annotated Anodyne C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000001863299 IJ Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000001863301 IJ Annotated Anodyne C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000001863303 IJ Annotated Anodyne O=C1C[C@H](c2ccccc2Cl)C2(C(=O)NC(=S)N=C2O)[C@H](c2ccccc2Cl)C1 ZINC000001866511 IJ Annotated Anodyne O=C1C[C@@H](c2ccccc2Cl)C2(C(=O)NC(=S)N=C2O)[C@H](c2ccccc2Cl)C1 ZINC000001866513 IJ Annotated Anodyne O=C1C[C@H](c2ccccc2Cl)C2(C(=O)NC(=S)N=C2O)[C@@H](c2ccccc2Cl)C1 ZINC000001866514 IJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000001876492 IJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000001876493 IJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000001876494 IJ Annotated Anodyne COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2CNCC(C)(C)CN(C)C)c1 ZINC000015003895 IJ Annotated Anodyne COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1CC[C@@](C)(O)CCC=C(C)C ZINC000015120670 IJ Annotated Bother COc1cc2c(c3c1CC[C@](C)(CC(=O)C=C(C)C)O3)CN(CCc1ccccc1)C2=O ZINC000015203071 IJ Annotated Mild in-vitro biogenic O=C1c2ccccc2N[C@@]23c4c(ccnc4-c4nc5ccccc5c5ccnc2c45)NC[C@@H]13 ZINC000015209867 IJ Annotated Bother O=C1c2ccc(Br)cc2-[n+]2ccc3c([nH]c4cc(Br)ccc43)c21 ZINC000015214344 IJ Annotated Anodyne COc1ccc(CCC(=O)c2c(O)c(CC=C(C)C)c(O)c3c2O[C@H](C(C)(C)O)C3)cc1 ZINC000015216667 IJ Annotated Anodyne CC(=O)O[C@H]1/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C=C/c2ccccc2)[C@H]1C(C)C ZINC000015254515 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(C#N)c1 ZINC000150040568 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)c(F)c1 ZINC000150042560 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)c(F)c1 ZINC000150055089 IJ Annotated Anodyne O=c1[nH]c2ccc(-c3csc(-c4ccc(F)cc4COCCN4CCCC4)n3)cc2o1 ZINC000150104352 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CCC3)ccc2F)cc1 ZINC000150125992 IJ Annotated Anodyne CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)C(C)C)cc4F)c3)cnnc21 ZINC000150216189 IJ Annotated Anodyne COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(O)c2/C=N\Cc2ccccc2)cc1 ZINC000150338677 IJ Annotated Mild aggregator O=c1c(O)c(-c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)oc2ccccc12 ZINC000150610639 IJ Annotated Bother C=C(CC[C@](C)(O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@H](O)C1=C[C@@H]3O)C(C)C ZINC000153338987 IJ Annotated Mild CC[C@@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3C=C(C)OC=C3C(=O)[C@]2(C)OC1=O ZINC000154681939 IJ Annotated Mild CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccc(SC)cc1)N2 ZINC000015830049 IJ Annotated Anodyne CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccc(SC)cc1)N2 ZINC000015830051 IJ Annotated Anodyne COc1ccc(C(=O)c2c(-c3cccc(C)c3)oc3ccc(N4CCOCC4)cc23)cn1 ZINC000015934072 IJ Annotated Anodyne COc1ccc(-c2cn(CCC(=O)NCc3ccc(C)cc3)c(-c3ccncc3)n2)cc1 ZINC000015934839 IJ Annotated Anodyne C[C@@]12C(=O)N(c3ccc(F)cc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015935632 IJ Annotated Anodyne COC(=O)C1(Cc2cc(-c3ccc(Cl)cc3)no2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000015936608 IJ Annotated Anodyne C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015936696 IJ Annotated Anodyne C[C@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015936697 IJ Annotated Anodyne CC1(C)Cc2cccc(Oc3cc(NN4CCCCC4)c([N+](=O)[O-])cc3[N+](=O)[O-])c2O1 ZINC000015936804 IJ Annotated Bother COc1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)c(OC)c1OC ZINC000015936840 IJ Annotated Anodyne COc1cc(OC)c(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1OC ZINC000015936841 IJ Annotated Anodyne CC1(C)CCC(=O)N2CC[C@H]3C[C@H](OC(=O)Nc4ccc(Br)cc4)C[C@@H]1[C@H]32 ZINC000015937352 IJ Annotated Anodyne COCc1cc(C)nc(N/N=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1C#N ZINC000015953246 IJ Annotated Mild Cc1cc(Br)ccc1-n1nc(C)c(/C=N/c2cccc3nsnc23)c1O ZINC000015961226 IJ Annotated Mild CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000015962374 IJ Annotated Anodyne CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000015962375 IJ Annotated Anodyne COc1ccc(OC)c(/N=C(\O)[C@H]2C[C@@H]3CCCN3[C@@]23C(O)=Nc2c(Cl)cccc23)c1 ZINC000015972111 IJ Annotated Mild COc1ccc(NC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23C(O)=Nc2c(C)cc(Cl)cc23)cc1 ZINC000015972860 IJ Annotated Anodyne O=C(CSc1ncn[nH]1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000015973744 IJ Annotated Anodyne O=C(CSc1ncn[nH]1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000015973746 IJ Annotated Anodyne O=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(OC(=O)/C=C/c2ccco2)cc1 ZINC000015974142 IJ Annotated Anodyne aggregator O=C(CNc1cccc2ccccc12)NN=Cc1ccc(OC(=O)/C=C/c2ccco2)cc1 ZINC000015974186 IJ Annotated Anodyne aggregator Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 ZINC000015987746 IJ Annotated Reactive Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC000015987893 IJ Annotated Reactive COc1cc2c(cc1OC)[C@H]1C[C@H](C[C@H]3CCCCN31)OC(=O)/C=C/c1ccc(O)c-2c1 ZINC000157286355 IJ Annotated Anodyne CCOc1c(Cl)cc(N2CCCCC2)cc1NC(=O)c1cc(C)c(OCCN)c(C)c1 ZINC000016052613 IJ Annotated Clean in-vivo NCCc1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1F ZINC000164955248 IJ Annotated Anodyne C[C@@H](CN)c1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1 ZINC000165425199 IJ Annotated Anodyne NCC1(c2ccc(-c3c(O)cc(Br)c4[nH]c(=O)c5sccc5c34)cc2)CC1 ZINC000165496809 IJ Annotated Anodyne CCc1ncc(C(=O)N[C@@H](CC(=O)O)Cc2ccc(-c3cc(Cl)ccc3F)cc2)o1 ZINC000165915841 IJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)C[C@@](O)([C@H]3CC(=O)C(C)=C[C@H]3O)CC[C@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000166312022 IJ Annotated Mild CC[C@@H]1O[C@@]1(C)[C@H](O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1[nH]c(OC)c(OC)c(=O)c1C ZINC000166608817 IJ Annotated Anodyne C[C@@H]1CC=C(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)C=C1F ZINC000166932638 IJ Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CC[C@@H](C)C(F)=C2)c1 ZINC000166932747 IJ Annotated Anodyne C[C@H]1CC=C(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)C=C1F ZINC000166932852 IJ Annotated Anodyne C[C@H]1CC=C(C(=O)Nc2cccc([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)C=C1F ZINC000166932973 IJ Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000167052985 IJ Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000167053085 IJ Annotated Anodyne O=C(c1ccccc1-c1cccs1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 ZINC000167053187 IJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C1 ZINC000168227795 IJ Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(F)cc3F)n2)C1 ZINC000168252549 IJ Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(F)ccc3F)n2)C1 ZINC000168315803 IJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1 ZINC000168387716 IJ Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cc(Cc2ccc(O)cc2)n2ccccc12 ZINC000168518688 IJ Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C1 ZINC000168520765 IJ Annotated Anodyne O=c1ccc(Nc2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)c[nH]1 ZINC000168854140 IJ Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)C3C4CC5CC(C4)CC3C5)cc2)c(CC)c1CC(=O)O ZINC000168891810 IJ Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3ccccc3C3CC3)cc2)c(CC)c1CC(=O)O ZINC000168892605 IJ Annotated Anodyne CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc(C)c(C)s3)nc21 ZINC000169063813 IJ Annotated Anodyne in-vitro COCCC(=O)N[C@@H]1CC[C@@H](CCN2CCC(c3ccc(F)c4occc34)CC2)CC1 ZINC000169089371 IJ Annotated Anodyne C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2OP(=O)(N2CC2)N2CC2)CC1=O ZINC000169290206 IJ Annotated Anodyne C[C@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4OP(=O)(N4CC4)N4CC4)[C@@H]3CC[C@@H]2CC1=O ZINC000169290207 IJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000169290482 IJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5CCCC[C@@]54C(C)=O)[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000169290483 IJ Annotated Anodyne CCC[C@H]1OC(=O)[C@]2(S(=O)(=O)c3ccccc3)C/C=C/CCCCCCOCC[C@H]12 ZINC000169291265 IJ Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2C)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169293051 IJ Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2C)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000169293053 IJ Annotated Anodyne CCN1C(=O)SC[C@H]1[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169293292 IJ Annotated Anodyne CCN1C(=O)SC[C@H]1[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000169293293 IJ Annotated Anodyne CCN1C(=O)SC[C@H]1[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169293295 IJ Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169293410 IJ Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000169293411 IJ Annotated Anodyne C[C@@H]1CCCCCCCCC[C@H](OC(=O)CCC(=O)OC(C)(C)C)C(=O)/C=C\C(=O)O1 ZINC000169293653 IJ Annotated Mild Cc1ccc([C@@H]2N[C@@H](c3ccc(C)cc3)[C@@H]3CCC[C@@H]2C3=N/N=C2/NC(=O)CS2)cc1 ZINC000169295856 IJ Annotated Mild Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@@H]3CCC[C@@H]2C3=N/N=C2/NC(=O)CS2)cc1 ZINC000169295857 IJ Annotated Mild Cc1ccc([C@H]2N[C@H](c3ccc(C)cc3)[C@@H]3CCC[C@@H]2C3=N/N=C2/NC(=O)CS2)cc1 ZINC000169295858 IJ Annotated Mild C=C(C)[C@@H]1CC=C(CN2CC[C@@H](N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)CC1 ZINC000169295941 IJ Annotated Mild COc1ccc([C@H]2/C=C/CN(Cc3ccco3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000169296491 IJ Annotated Anodyne NC(=S)NN=C1[C@@H]2CCC[C@@H]1[C@@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000169298314 IJ Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@@H]1[C@@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000169298315 IJ Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@H]1[C@@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000169298316 IJ Annotated Mild CCOC(=O)[C@@H]1[C@H](C)[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000169298577 IJ Annotated Anodyne NC(=S)NN=C1[C@@H]2CCC[C@@H]1[C@@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl ZINC000169298724 IJ Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@@H]1[C@@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl ZINC000169298725 IJ Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@H]1[C@@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl ZINC000169298727 IJ Annotated Mild CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](C(=O)O)N2 ZINC000169299472 IJ Annotated Reactive CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](C(=O)O)N2 ZINC000169299473 IJ Annotated Reactive CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](C(=O)O)N2 ZINC000169299474 IJ Annotated Reactive CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](C(=O)O)N2 ZINC000169299475 IJ Annotated Reactive C[C@]12CC[C@@H]3[C@@H](CC[C@]45O[C@@H]4C(=O)CC[C@]35C)[C@@H]1Cc1cnn(-c3ccc(F)cc3)c1N2 ZINC000169300397 IJ Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC[C@]45O[C@H]4C(=O)CC[C@]35C)[C@@H]1Cc1cnn(-c3ccc(F)cc3)c1N2 ZINC000169300398 IJ Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(SC#N)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O ZINC000169302481 IJ Annotated Reactive C=C1C[C@H]2[C@@H]3C=C(OCC)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O ZINC000169302482 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2([C@@H](O)CCc2ccccc2)[C@]13C(=O)O ZINC000169302633 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)CCc2ccccc2)[C@]13C(=O)O ZINC000169302634 IJ Annotated Mild CC(C)N1CCN(C2=C(Nc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3C2=O)CC1 ZINC000169303493 IJ Annotated Mild C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169303581 IJ Annotated Mild CCN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000169303813 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccc3nc(N4CCCC4)sc3c2)cn1 ZINC000169304123 IJ Annotated Anodyne COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(Cc3ccccc3Cl)[C@@H]21 ZINC000169304605 IJ Annotated Anodyne COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(Cc3ccccc3Cl)[C@H]21 ZINC000169304608 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3ccccc3n2Cc2ccccn2)cc1OCC ZINC000169304804 IJ Annotated Anodyne O=C(NC1=C(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 ZINC000169304993 IJ Annotated Mild O=C(NCc1ccccc1)[C@@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1cccnc1 ZINC000169305266 IJ Annotated Anodyne O=C(NCc1ccccc1)[C@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1cccnc1 ZINC000169305268 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccncc2)cc1OCC ZINC000169305604 IJ Annotated Anodyne Cc1c2c(nn1-c1ccc(-c3nc4ccccc4[nH]3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000169307434 IJ Annotated Anodyne Cc1c2c(nn1-c1ccc(-c3nc4ccccc4o3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000169307439 IJ Annotated Anodyne CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4cc(Cl)ccc4Cl)ccc1c23 ZINC000169308111 IJ Annotated Anodyne C#CCn1cc(C(=O)O)c(=O)c2c3nc(-c4ccccc4)c(-c4ccccc4)nc3ccc21 ZINC000169308509 IJ Annotated Mild Cc1ccc(-c2cc(CO[C@@]3(C(F)(F)F)Oc4ccccc4C=C3C(=O)O)on2)cc1 ZINC000169309383 IJ Annotated Anodyne Cc1ccc(-c2cc(CO[C@]3(C(F)(F)F)Oc4ccccc4C=C3C(=O)O)on2)cc1 ZINC000169309384 IJ Annotated Anodyne O=C(O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc(F)cc2)no1)C(F)(F)F ZINC000169309664 IJ Annotated Anodyne O=C(O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc(F)cc2)no1)C(F)(F)F ZINC000169309665 IJ Annotated Anodyne COc1ccc(-c2cc(CO[C@@]3(C(F)(F)F)Oc4ccccc4C=C3C(=O)O)on2)cc1 ZINC000169309670 IJ Annotated Anodyne COc1ccc(-c2cc(CO[C@]3(C(F)(F)F)Oc4ccccc4C=C3C(=O)O)on2)cc1 ZINC000169309672 IJ Annotated Anodyne COc1nc(F)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(cc2C)CCC3(C)C)o1 ZINC000169310201 IJ Annotated Anodyne CCOC(=O)[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169310806 IJ Annotated Anodyne Cc1sc(NC(=O)N2CCCN(C(=O)C3CCC(F)(F)CC3)CC2)nc1C(C)(C)C ZINC000169311176 IJ Annotated Anodyne COc1ccc(-c2[nH][nH]c(=O)c2Cc2c(O)ccc3cc(Br)ccc23)cc1 ZINC000169311774 IJ Annotated Anodyne O=C1OCC(C(=O)c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccc(Cl)cc23)=C1O ZINC000169312666 IJ Annotated Mild COc1c(OC)c(C(C)=O)c2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)C2 ZINC000169313210 IJ Annotated Anodyne C=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)[C@H](OC(=O)[C@@H](C)C[C@@H](C)C[C@@H](C)CC)CC[C@@H]1C ZINC000169313688 IJ Annotated Mild C=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)[C@H](OC(=O)[C@@H](C)C[C@H](C)C[C@@H](C)CC)CC[C@@H]1C ZINC000169313689 IJ Annotated Mild C=CC[C@H]1C=C(C(=O)OC)N(C(=O)C(F)(F)F)[C@@H](c2ccccc2Br)[C@@H]1C ZINC000169313973 IJ Annotated Mild O=C1[C@H]([C@@H](O)c2ccc3c(c2)OC[C@@H](c2ccccc2)O3)CCCN1Cc1ccccc1 ZINC000169314421 IJ Annotated Anodyne O=C1[C@H]([C@H](O)c2ccc3c(c2)OC[C@@H](c2ccccc2)O3)CCCN1Cc1ccccc1 ZINC000169314425 IJ Annotated Anodyne C=CCN(CC=C)C(=O)c1ccc2oc3ccc(C(=O)N(CC=C)CC=C)cc3c(=O)c2c1 ZINC000169315482 IJ Annotated Mild CCOc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1 ZINC000169318138 IJ Annotated Clean COc1ccc([C@@]2(O)CCN3C[C@@H]4c5ccccc5CCc5cccc(c54)[C@H]3C2)cc1OC ZINC000169319871 IJ Annotated Anodyne COc1ccc([C@@]2(O)CCN3C[C@@H]4c5ccccc5CCc5cccc(c54)[C@H]3C2)c(OC)c1 ZINC000169319873 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)[C@@]2(c4ccccc4)CCN(C)[C@@H](C3)C2)cc1 ZINC000169320336 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)[C@@]2(c4ccccc4)CCN(C)[C@@H](C3)[C@@H]2C)cc1 ZINC000169320387 IJ Annotated Anodyne C1CCN(C2CCN(C3CCC4(CC3)OOC3(OO4)C4CC5CC(C4)CC3C5)CC2)CC1 ZINC000169321466 IJ Annotated Reactive N#Cc1ccc(Cc2cc(C(=O)C(=O)Nc3c(Cl)ccnc3Cl)c3ccccn23)cc1 ZINC000169323278 IJ Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000169324613 IJ Annotated Anodyne COc1ccc([C@@H](N)CCCCCC[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000169325295 IJ Annotated Anodyne COc1ccc([C@H](N)CCCCCC[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000169325297 IJ Annotated Anodyne COc1ccc([C@@H](N)CCCCCC[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000169325299 IJ Annotated Anodyne COc1ccc([C@H](N)CCCCCC[C@H]2NCCc3cc(OC)c(OC)cc32)cc1OC ZINC000169325301 IJ Annotated Anodyne O=C(SCc1ccco1)c1cc2cc(Br)c(Br)cc2oc1=O ZINC000169325589 IJ Annotated Anodyne CCCCc1cn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)nn1 ZINC000169325611 IJ Annotated Anodyne Fc1ccc(CN(CCBr)CCSc2nc3ccccc3[nH]2)c(F)c1 ZINC000169327053 IJ Annotated Reactive CCCCO[C@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169327076 IJ Annotated Mild CCCCO[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169327077 IJ Annotated Mild CCCCO[C@@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169327080 IJ Annotated Mild CCCCO[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]2C=C(C(C)C)[C@@]34C(=O)O)=NO1 ZINC000169327083 IJ Annotated Mild COc1cc(N[C@@H](C)CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ncccc2c1 ZINC000169327390 IJ Annotated Bother COc1cc(N[C@H](C)CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ncccc2c1 ZINC000169327391 IJ Annotated Bother Cc1cn(-c2c(-c3cc(-c4ccccc4)nc(N)c3C#N)c(C)nn2-c2ccccc2)cn1 ZINC000169327763 IJ Annotated Mild Cc1nn(-c2ccccc2)c(-n2ccnc2)c1-c1cc(-c2ccc(F)cc2)nc(N)c1C#N ZINC000169327781 IJ Annotated Mild Cc1cn(-c2c(-c3cc(-c4ccc(F)cc4)nc(N)c3C#N)c(C)nn2-c2ccccc2)cn1 ZINC000169327784 IJ Annotated Mild COc1ccc(-c2cc(-c3c(C)nn(-c4ccccc4)c3-n3ccnc3)c(C#N)c(N)n2)cc1 ZINC000169327786 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCC2)[C@@]13C(=O)O ZINC000169327798 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCC2)[C@@]13C(=O)O ZINC000169327801 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCC2)[C@@]13C(=O)O ZINC000169327804 IJ Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000169327976 IJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000169327979 IJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccc(C)c2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000169327980 IJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccc(C)c2)N(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000169327982 IJ Annotated Anodyne O=C(O)c1cc2cc(-c3cc[nH]n3)ccc2n1CCOc1ccc(OC(F)(F)F)cc1 ZINC000169328915 IJ Annotated Anodyne Cc1cn(-c2c(-c3cc(-c4cccs4)nc(N)c3C#N)c(C)nn2-c2ccccc2)cn1 ZINC000169328942 IJ Annotated Mild CN1CCN(CCCN2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)CC1 ZINC000169329536 IJ Annotated Anodyne CN1CCN(CCCN2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)CC1 ZINC000169329537 IJ Annotated Anodyne Cc1[nH]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1/C=N/c1ccc(O)c(C(=O)O)c1 ZINC000169330013 IJ Annotated Mild NC(=O)C(=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)C(N)=O ZINC000169330186 IJ Annotated Anodyne CC(C)CCC#C[C@H](O)[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 ZINC000169330846 IJ Annotated Mild CC(C)CCC#C[C@H](O)[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 ZINC000169330848 IJ Annotated Mild Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3c2c(c3ccccc3oc2=O)OC1(C)C ZINC000169330910 IJ Annotated Anodyne CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(Cl)CC2)cc1 ZINC000169331074 IJ Annotated Reactive O=[N+]([O-])c1ccc(N2CN3C(=C(O)[C@H]2c2ccccc2[N+](=O)[O-])Nc2ccccc23)cc1 ZINC000169331816 IJ Annotated Bother C[C@@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cccc(F)c2S1(=O)=O ZINC000169332797 IJ Annotated Anodyne COc1cc(NC(=O)[C@@H](CC(=O)c2ccc(C(C)C)cc2)N2CCCCC2)cc(OC)c1 ZINC000169333740 IJ Annotated Anodyne COc1cc(NC(=O)[C@H](CC(=O)c2ccc(C(C)C)cc2)N2CCCCC2)cc(OC)c1 ZINC000169333741 IJ Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccc(C(C)C)cc2)N2CCN(C)CC2)cc1 ZINC000169333771 IJ Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H](CC(=O)c2ccc(C(C)C)cc2)N2CCN(C)CC2)cc1 ZINC000169333773 IJ Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H](CC(=O)c2cccc3c2CCCC3)N2CCOCC2)cc1 ZINC000169333867 IJ Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H](CC(=O)c2cccc3c2CCCC3)N2CCOCC2)cc1 ZINC000169333869 IJ Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H](CC(=O)c2cccc3c2CCCC3)N2CCN(C)CC2)cc1 ZINC000169333873 IJ Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H](CC(=O)c2cccc3c2CCCC3)N2CCN(C)CC2)cc1 ZINC000169333874 IJ Annotated Anodyne CCN(CC)CCN1N=C(c2ccc(Br)cc2)CC2=C1CC(C)(C)CC2=O ZINC000169334253 IJ Annotated Mild Cc1ccc(-n2nc(C)c3cc(CNCc4cccc(C(F)(F)F)c4)c(=O)[nH]c32)cc1 ZINC000169336048 IJ Annotated Anodyne O=c1[nH]c2c(cc1CNCc1cccc(C(F)(F)F)c1)c(C1CC1)nn2-c1ccccc1 ZINC000169336054 IJ Annotated Anodyne O=C(c1ncc(I)o1)[C@H]1COc2cc(Oc3ccccc3)ccc2C1 ZINC000169336453 IJ Annotated Anodyne O=C(c1ncc(I)o1)[C@@H]1COc2cc(Oc3ccccc3)ccc2C1 ZINC000169336455 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(OCC(=O)NCCc3ccccc3)c3c(c12)OC(C)(C)C=C3 ZINC000169336482 IJ Annotated Anodyne O=C1Nc2cccc(Br)c2[C@]12O[C@@H](COc1ccccc1)CC1=CCC[C@@H]12 ZINC000169337738 IJ Annotated Anodyne O=C1Nc2cccc(Br)c2[C@]12O[C@H](COc1ccccc1)CC1=CCC[C@@H]12 ZINC000169337739 IJ Annotated Anodyne C=CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\N=C\C=C\c1ccc([N+](=O)[O-])s1 ZINC000169338325 IJ Annotated Mild COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[n+](C)c2ccc(Cl)cc12 ZINC000169339481 IJ Annotated Clean CCS(=O)(=O)Nc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000169340027 IJ Annotated Anodyne CCS(=O)(=O)Nc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(Cl)cc1)CC(C)(C)O2 ZINC000169340030 IJ Annotated Anodyne Cc1ccc(C(F)(F)F)cc1CNCc1cc2c(C)nn(-c3ccccc3)c2[nH]c1=O ZINC000169340031 IJ Annotated Anodyne Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CN(C)Cc3cccc(C(F)(F)F)c3)cc12 ZINC000169341001 IJ Annotated Anodyne Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CN3CCc4ccc(C(F)(F)F)cc4C3)cc12 ZINC000169341004 IJ Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccncc1 ZINC000169341690 IJ Annotated Anodyne O=C(NCc1ccccc1)[C@H]1C(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccncc1 ZINC000169341692 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccccn2)cc1OCC ZINC000169341898 IJ Annotated Anodyne CCN(CC(=O)Nc1ccccc1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000169342117 IJ Annotated Anodyne COc1ccc(N(C(=O)/C=C/c2ccc(OC)c(OC)c2)C2=C[C@@H]3CC[C@@H](C2)N3C)cc1 ZINC000169342920 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(N3CCN(C(=O)[C@@H](C)CC)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342947 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(N3CCN(C(=O)[C@H](C)CC)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342948 IJ Annotated Anodyne O=C(c1cc(-n2ccc3c(Br)cccc32)c(O)cc1O)N1Cc2ccccc2C1 ZINC000169343532 IJ Annotated Anodyne O=C(c1cc(-n2ccc3cc(Br)ccc32)c(O)cc1O)N1Cc2ccccc2C1 ZINC000169343537 IJ Annotated Anodyne COc1c(O)cc2oc3c(N)c(O)c(CCC(C)C)c(O)c3c(=O)c2c1CCC(C)C ZINC000169345101 IJ Annotated Bother CCCCCCOC[C@]12C[C@@H]3[C@H](C)C(=O)C[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169345259 IJ Annotated Mild CCCCCCOC[C@@]12C[C@@H]3[C@H](C)C(=O)C[C@H]3[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000169345260 IJ Annotated Mild O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1ccccc1)C2 ZINC000169346229 IJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2C[C@@H](c3ccccc3)C[C@@H]1Cc1[nH]ncc12 ZINC000169346230 IJ Annotated Anodyne COc1cc(/C=C2\CC[C@@H](C)/C(=C\c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O ZINC000169346372 IJ Annotated Mild COc1cc(/C=C2\CC[C@H](C)/C(=C\c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O ZINC000169346373 IJ Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)c3cccs3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000169346704 IJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)c2ccco2)[C@@H]1C/C=C1\C=COC1=O ZINC000169346717 IJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)c2ccccc2)[C@@H]1C/C=C1\C=COC1=O ZINC000169346719 IJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)c3ccco3)[C@@]2(C)CO)[C@@H]1C/C=C1\C=COC1=O ZINC000169346726 IJ Annotated Mild CCOP(=O)(OCC)c1cccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 ZINC000169346827 IJ Annotated Bother CCOP(=O)(OCC)c1ccc(Nc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1 ZINC000169346829 IJ Annotated Bother C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccccc1 ZINC000169346922 IJ Annotated Mild COc1cc2c(cc1OC)S[C@@H](C(=O)C[C@@H]1C=CC[N+](C)(Cc3ccccc3)CC1)C2 ZINC000169347812 IJ Annotated Bother COc1cc2c(cc1OC)S[C@@H](C(=O)C[C@H]1C=CC[N+](C)(Cc3ccccc3)CC1)C2 ZINC000169347814 IJ Annotated Bother COc1ccc(-c2cc3ccc(OC)cc3c(=O)n2-c2ccc(OCCN(C)C)cc2)cc1 ZINC000169348152 IJ Annotated Anodyne COc1cc(/C=C/C(=O)N2CCC[C@@H](n3c(C)cc4ccccc43)C2)cc(OC)c1OC ZINC000169348266 IJ Annotated Anodyne COc1cc(/C=C/C(=O)N2CCC[C@H](n3c(C)cc4ccccc43)C2)cc(OC)c1OC ZINC000169348267 IJ Annotated Anodyne N#CC1=C(N)[C@]2(C(=O)Nc3ccccc32)[C@@H](c2ccc(Br)cc2)[C@@H]2CCCC=C12 ZINC000169348691 IJ Annotated Reactive C[C@H]1/C=C\C[C@H](Br)[C@@H]2C[C@@H](Cl)[C@@H](C[C@H](C=C=CBr)O1)O2 ZINC000169349468 IJ Annotated Reactive CCCCc1ccc(C(=O)O[C@H]2C[C@@H]3C(=C2C)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)O)cc1 ZINC000169349975 IJ Annotated Anodyne CCCCc1ccc(C(=O)O[C@H]2C[C@H]3C(=C2C)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)O)cc1 ZINC000169349976 IJ 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(C(C)(C)C)cc1 ZINC000169349983 IJ 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(C(C)(C)C)cc1 ZINC000169349985 IJ Annotated Anodyne Cc1cc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2[N+](=O)[O-])nc(C)c1Br ZINC000169351039 IJ Annotated Bother Cc1cc(N2C(=O)CS[C@H]2c2c(Cl)cccc2[N+](=O)[O-])nc(C)c1Br ZINC000169351040 IJ Annotated Bother COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C ZINC000169351428 IJ Annotated Anodyne CC[C@@H]1[C@@H]2Nc3ccccc3[C@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000169352855 IJ Annotated Mild COC1=C[C@@H](C(=O)NCc2ccc(Br)cc2)[C@@H](C)[C@@H](c2ccccc2)CC1=O ZINC000169354812 IJ Annotated Mild COC1=C[C@@H](C(=O)NCc2ccc(Br)cc2)[C@H](C)[C@@H](c2ccccc2)CC1=O ZINC000169354813 IJ Annotated Mild C/C1=C/[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3C[C@@H](O)[C@@H](C)C[C@@H](OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000169355229 IJ Annotated Mild C/C1=C/[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3C[C@@H](O)[C@@H](C)C[C@H](OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000169355230 IJ Annotated Mild C[C@@H]1CCC[C@@H](CO[C@@H]2CCC[C@@H](/C=C3\C(=O)NN(C(=O)[s+]4cccc4)C3=O)C2)C1 ZINC000169356401 IJ Annotated Clean C[C@H]1CCC[C@@H](CO[C@@H]2CCC[C@@H](/C=C3\C(=O)NN(C(=O)[s+]4cccc4)C3=O)C2)C1 ZINC000169356402 IJ Annotated Clean C[C@@H]1CCC[C@H](CO[C@@H]2CCC[C@@H](/C=C3\C(=O)NN(C(=O)[s+]4cccc4)C3=O)C2)C1 ZINC000169356403 IJ Annotated Clean C[C@H]1CCC[C@H](CO[C@@H]2CCC[C@@H](/C=C3\C(=O)NN(C(=O)[s+]4cccc4)C3=O)C2)C1 ZINC000169356404 IJ 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]4CCCC[C@@H]24)[C@]13C(=O)O ZINC000169359571 IJ 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]4CCCC[C@@H]24)[C@]13C(=O)O ZINC000169359572 IJ 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]4CCCC[C@@H]24)[C@]13C(=O)O ZINC000169359573 IJ 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]4CCCC[C@@H]24)[C@]13C(=O)O ZINC000169359574 IJ Annotated Mild COc1cc2cc(C(=O)[C@H]3CC[N+](C)(Cc4ccccc4)CC[C@@H]3O)sc2cc1OC ZINC000169359960 IJ Annotated Bother CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2([C@@H](O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000169360045 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000169360046 IJ Annotated Mild COc1ccc(C(=O)Nc2nc3c(s2)C[C@@]2(C)CC[C@H]4[C@H](OC(=O)[C@@H]4C)[C@@H]2[C@@H]3C)cc1 ZINC000169361071 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](OC(=O)[C@@H]4C)[C@@H]2[C@@H]3C)cc1 ZINC000169361073 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@@]2(C)CC[C@@H]4[C@H](OC(=O)[C@@H]4C)[C@@H]2[C@@H]3C)cc1 ZINC000169361074 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@@H]4[C@H](OC(=O)[C@@H]4C)[C@@H]2[C@@H]3C)cc1 ZINC000169361075 IJ Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@@]1(C)Cc3sc(NC(=O)NCc4ccccc4)nc3[C@@H](C)[C@@H]21 ZINC000169361546 IJ Annotated Anodyne C[C@@H]1c2nc(NC(=O)NCc3ccccc3)sc2C[C@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12 ZINC000169361547 IJ Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)Cc3sc(NC(=O)NCc4ccccc4)nc3[C@@H](C)[C@@H]21 ZINC000169361548 IJ Annotated Anodyne C[C@@H]1c2nc(NC(=O)NCc3ccccc3)sc2C[C@]2(C)CC[C@H]3[C@H](OC(=O)[C@@H]3C)[C@H]12 ZINC000169361549 IJ Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]2CC/C(C)=C/CC1 ZINC000169364378 IJ Annotated Anodyne C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]2CC1 ZINC000169364379 IJ Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]2CC/C(C)=C\CC1 ZINC000169364380 IJ Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@H](C)[C@](OCC(F)(F)F)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000169368218 IJ Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCC(F)(F)F)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000169368219 IJ Annotated Reactive O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@@H]1C(=CC=C(Cl)[C@@H]1Cl)N2O ZINC000169371529 IJ Annotated Reactive O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@H]1C(=CC=C(Cl)[C@@H]1Cl)N2O ZINC000169371530 IJ Annotated Reactive CCCCCCOC[C@]12C[C@H]3[C@@H](CC[C@]3(C)O)[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000169371637 IJ Annotated Mild CCCCCCOC[C@@]12C[C@H]3[C@@H](CC[C@]3(C)O)[C@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]23C(=O)O ZINC000169371638 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccco2)[C@@]13C(=O)O ZINC000169372972 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccco2)[C@@]13C(=O)O ZINC000169372973 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccco2)[C@@]13C(=O)O ZINC000169372974 IJ Annotated Mild CC(C)=CC(=O)OCC[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 ZINC000169372984 IJ Annotated Mild CC(C)=CC(=O)OCC[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 ZINC000169372985 IJ Annotated Mild CC(C)=CC(=O)OCC[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 ZINC000169372986 IJ Annotated Mild CC(C)=CC(=O)OCC[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 ZINC000169372987 IJ Annotated Mild CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000169403242 IJ Annotated Clean CN1C[C@H](c2ccc(Cl)cc2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000169403263 IJ Annotated Clean C[C@@H]1CCCc2c1nc(NC(=S)NC(=O)c1ccccc1)c(C#N)c2-c1cccn1C ZINC000169403758 IJ Annotated Mild C[C@H]1CCCc2c1nc(NC(=S)NC(=O)c1ccccc1)c(C#N)c2-c1cccn1C ZINC000169403770 IJ Annotated Mild CC(=O)OC[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](COC(=O)C(C)C)C3 ZINC000169645737 IJ Annotated Anodyne CC1=C[C@@H]2/C=C/C[C@H](C)C(=O)[C@@H](C)CCC(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000169652735 IJ Annotated Anodyne CC1(C)OC[C@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC=C2[C@H](O)[C@@H]4C[C@@]23CC[C@]42COC(C)(C)O2)O1 ZINC000169653740 IJ Annotated Anodyne C=C1OC(C)(C)[C@H](Br)C[C@@]1(O)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 ZINC000169654048 IJ Annotated Reactive C[C@H]1CCC/C=C/[C@H]2CC[C@H](OC(=O)c3cccc(Br)c3)[C@@H](CC(=O)O1)O2 ZINC000169675073 IJ Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1C=C2CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O ZINC000169684369 IJ Annotated Anodyne CN(C[C@@]1(c2ccccc2)CC(=O)[C@@H](SCCc2ccccc2)C(=O)O1)c1ccccc1 ZINC000169684734 IJ Annotated Anodyne CN(C[C@]1(c2ccccc2)CC(=O)[C@@H](SCCc2ccccc2)C(=O)O1)c1ccccc1 ZINC000169684735 IJ Annotated Anodyne O=C(O)Cc1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000169685504 IJ Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2C[C@H]3CCC[C@@H](C2)C3)c1=O ZINC000169685733 IJ Annotated Anodyne CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccccc1C(F)(F)F)CCCC3 ZINC000169686276 IJ Annotated Anodyne CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccccc1C(F)(F)F)CCCC3 ZINC000169686277 IJ Annotated Anodyne CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccccc1C(F)(F)F)CCCC3 ZINC000169686278 IJ Annotated Anodyne CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccccc1C(F)(F)F)CCCC3 ZINC000169686279 IJ Annotated Anodyne CN(C)c1nc(/N=N/Cc2ccc(Cl)c([N+](=O)[O-])c2)nc(Nc2ccc(F)cc2)n1 ZINC000169687552 IJ Annotated Clean COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1 ZINC000169687597 IJ Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1 ZINC000169687598 IJ Annotated Anodyne COc1ccccc1-n1c(O)c2c(c1O)[C@@H](c1ccc(N(C)C)cc1)N(c1ccccc1)O2 ZINC000169688516 IJ Annotated Clean COc1ccccc1-n1c(O)c2c(c1O)[C@H](c1ccc(N(C)C)cc1)N(c1ccccc1)O2 ZINC000169688517 IJ Annotated Clean CC(=O)c1ccc(-n2c(O)c3c(c2O)[C@@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@@H]32)cc1 ZINC000169688647 IJ Annotated Anodyne CC(=O)c1ccc(-n2c(O)c3c(c2O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@@H]32)cc1 ZINC000169688648 IJ Annotated Anodyne O=C(c1ccccc1)c1[nH]n(-c2ccccc2)c2c(O)n(-c3ccccc3Cl)c(=O)c1-2 ZINC000169688676 IJ Annotated Anodyne O=C(c1ccccc1)c1[nH]n(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000169688680 IJ Annotated Anodyne COc1ccc(/N=C/c2c[c-](Cc3ccccc3Cl)cc([N+](=O)[O-])c2=O)cc1OC ZINC000169688693 IJ Annotated Mild COc1ccc(/N=C(C(=C(\Cl)C(Cl)Cl)/[N+](=O)[O-])\n2nnc3ccccc32)cc1 ZINC000169688831 IJ Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc(/N=N/[C@@H](C)c3ccncc3)c([N+](=O)[O-])c2)cc1 ZINC000169689163 IJ Annotated Clean COc1ccc(NS(=O)(=O)c2ccc(/N=N/[C@H](C)c3ccncc3)c([N+](=O)[O-])c2)cc1 ZINC000169689164 IJ Annotated Clean CCCCOc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000169689233 IJ Annotated Anodyne CCCCOc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000169689234 IJ Annotated Anodyne CCCCOc1ccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000169689235 IJ Annotated Anodyne CCCCOc1ccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000169689236 IJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000169689255 IJ Annotated Anodyne N#C[C@@H]1C(=N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2cccnc2)[C@@H]1c1cccnc1 ZINC000169689301 IJ Annotated Mild N#C[C@H]1C(=N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2cccnc2)[C@@H]1c1cccnc1 ZINC000169689302 IJ Annotated Mild Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000169690242 IJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)no1 ZINC000169690243 IJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000169690251 IJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000169690252 IJ Annotated Anodyne COC1=CC(c2nc3c(c(C)nn3-c3ccccc3)c3cc(OC)c(OC)cc23)=CCC1=O ZINC000169690444 IJ Annotated Mild CCOC(=O)[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C1=NC(C)(C)Cc2ccccc21 ZINC000169690625 IJ Annotated Anodyne COc1ccc(NC2CCN(c3cc(O)n(-c4ccc(F)c(Cl)c4)c3O)CC2)cc1 ZINC000169691761 IJ Annotated Anodyne O=[N+]([O-])c1ccccc1C/C=C/N=N/c1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000169691946 IJ Annotated Clean Cc1ccc(Nc2nc(/N=N/Cc3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1 ZINC000169693105 IJ Annotated Clean O=[N+]([O-])c1ccc(-c2ccc([CH-]/N=N/c3nc(N4CCCC4)nc(N4CCCC4)n3)o2)cc1 ZINC000169693284 IJ Annotated Clean Cc1c(COc2c(F)cc(F)cc2F)c2c(O)c(/N=C/CCN(C)C)cc(O)c2n1C ZINC000169693561 IJ Annotated Mild Cc1c(COc2c(F)cc(F)cc2F)c2c(O)cc(/N=C\CCN(C)C)c(O)c2n1C ZINC000169693562 IJ Annotated Mild Cc1c(COc2c(F)cc(F)cc2F)c2c(O)cc(/N=C/CCN(C)C)c(O)c2n1C ZINC000169693563 IJ Annotated Mild C=CCn1c(O)c2n(c1=S)[C@H](c1ccc(OC)cc1OC)c1[nH]c3ccccc3c1C2 ZINC000169693655 IJ Annotated Mild O=C1CN(Cc2cccc(C(F)(F)F)c2)C(=O)[C@@H]1SCc1cccc(C(F)(F)F)c1 ZINC000169693698 IJ Annotated Anodyne O=C1CN(Cc2cccc(C(F)(F)F)c2)C(=O)[C@H]1SCc1cccc(C(F)(F)F)c1 ZINC000169693699 IJ Annotated Anodyne CCCOc1ccc(-n2c(O)cc(SC(=N)N/N=C(\C)c3cccs3)c2O)cc1 ZINC000169693977 IJ Annotated Mild COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc4[nH]ccc4c3)[C@@H]2C2CCCCC2)cc1 ZINC000169694838 IJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc4[nH]ccc4c3)[C@@H]2C2CCCCC2)cc1 ZINC000169694839 IJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc4[nH]ccc4c3)[C@H]2C2CCCCC2)cc1 ZINC000169694840 IJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc4[nH]ccc4c3)[C@H]2C2CCCCC2)cc1 ZINC000169694841 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000169694926 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000169694927 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000169694928 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000169694929 IJ Annotated Anodyne CSc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694946 IJ Annotated Anodyne CSc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694947 IJ Annotated Anodyne CSc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694948 IJ Annotated Anodyne CSc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694949 IJ Annotated Anodyne CCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694954 IJ Annotated Anodyne CCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694955 IJ Annotated Anodyne CCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694956 IJ Annotated Anodyne CCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694957 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694974 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694975 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694976 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694977 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169694982 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169694983 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169694984 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169694985 IJ Annotated Anodyne CCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695019 IJ Annotated Anodyne CCc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695020 IJ Annotated Anodyne CCc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695021 IJ Annotated Anodyne CCc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695022 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695023 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695024 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695025 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695026 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cc[nH]c2)cc1 ZINC000169695031 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cc[nH]c2)cc1 ZINC000169695032 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cc[nH]c2)cc1 ZINC000169695033 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cc[nH]c2)cc1 ZINC000169695034 IJ Annotated Anodyne CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccc[n+]1[O-] ZINC000169695046 IJ Annotated Mild COc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695071 IJ Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695072 IJ Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695073 IJ Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695074 IJ Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695076 IJ Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695077 IJ Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695078 IJ Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695079 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695239 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695240 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695241 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695242 IJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695387 IJ Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695388 IJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695389 IJ Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695390 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695407 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695408 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695409 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169695410 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C2CC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695423 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C2CC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695424 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C2CC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695425 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C2CC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695426 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(N)c1 ZINC000169695499 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(N)c1 ZINC000169695500 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(N)c1 ZINC000169695501 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(N)c1 ZINC000169695502 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(O)c1 ZINC000169695507 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(O)c1 ZINC000169695508 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(O)c1 ZINC000169695509 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)c(O)c1 ZINC000169695510 IJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1C#N ZINC000169695519 IJ Annotated Mild CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1C#N ZINC000169695520 IJ Annotated Mild CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C#N ZINC000169695521 IJ Annotated Mild CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1C#N ZINC000169695522 IJ Annotated Mild CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1Cl ZINC000169695576 IJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1cccnc1Cl ZINC000169695577 IJ Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1Cl ZINC000169695578 IJ Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccnc1Cl ZINC000169695579 IJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000169695644 IJ Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000169695645 IJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000169695646 IJ Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccccc2)cc1 ZINC000169695647 IJ Annotated Anodyne COc1cccc([C@@H]2[C@@H](C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)c1 ZINC000169695652 IJ Annotated Anodyne COc1cccc([C@H]2[C@@H](C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)c1 ZINC000169695653 IJ Annotated Anodyne COc1cccc([C@@H]2[C@H](C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)c1 ZINC000169695654 IJ Annotated Anodyne COc1cccc([C@H]2[C@H](C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)c1 ZINC000169695655 IJ Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)cc1 ZINC000169695656 IJ Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)cc1 ZINC000169695657 IJ Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)cc1 ZINC000169695658 IJ Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)C(C)C)C(=O)C(=O)N2c2ccc(-c3ccsc3)cc2)cc1 ZINC000169695659 IJ Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695672 IJ Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695673 IJ Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695674 IJ Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695675 IJ Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695684 IJ Annotated Anodyne CC(C)Oc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695685 IJ Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695686 IJ Annotated Anodyne CC(C)Oc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169695687 IJ Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695785 IJ Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695786 IJ Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695787 IJ Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695788 IJ Annotated Anodyne COc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695830 IJ Annotated Anodyne COc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695831 IJ Annotated Anodyne COc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695832 IJ Annotated Anodyne COc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695833 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169695854 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169695855 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169695856 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169695857 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695902 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695903 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695904 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169695905 IJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695910 IJ Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695911 IJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695912 IJ Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695913 IJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695914 IJ Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695915 IJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695916 IJ Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169695917 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696122 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696123 IJ Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696124 IJ Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000169696125 IJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC4CCCC4)[C@@H]3C3CCCCC3)cc2)no1 ZINC000169696176 IJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC4CCCC4)[C@@H]3C3CCCCC3)cc2)no1 ZINC000169696177 IJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC4CCCC4)[C@H]3C3CCCCC3)cc2)no1 ZINC000169696178 IJ Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC4CCCC4)[C@H]3C3CCCCC3)cc2)no1 ZINC000169696179 IJ Annotated Anodyne CCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696188 IJ Annotated Anodyne CCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696189 IJ Annotated Anodyne CCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696190 IJ Annotated Anodyne CCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696191 IJ Annotated Anodyne COc1ccc(F)cc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696242 IJ Annotated Anodyne COc1ccc(F)cc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696243 IJ Annotated Anodyne COc1ccc(F)cc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696244 IJ Annotated Anodyne COc1ccc(F)cc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696245 IJ Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(N2CCCC2)cc1 ZINC000169696258 IJ Annotated Anodyne CC(C)Oc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(N2CCCC2)cc1 ZINC000169696259 IJ Annotated Anodyne CC(C)Oc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(N2CCCC2)cc1 ZINC000169696260 IJ Annotated Anodyne CC(C)Oc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(N2CCCC2)cc1 ZINC000169696261 IJ Annotated Anodyne CCc1nc2cc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)ccc2o1 ZINC000169696278 IJ Annotated Anodyne CCc1nc2cc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(C)C)ccc2o1 ZINC000169696279 IJ Annotated Anodyne CCc1nc2cc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(C)C)ccc2o1 ZINC000169696280 IJ Annotated Anodyne CCc1nc2cc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(C)C)ccc2o1 ZINC000169696281 IJ Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]2c2ccccc2OC(C)C)cc1 ZINC000169696309 IJ Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]2c2ccccc2OC(C)C)cc1 ZINC000169696310 IJ Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]2c2ccccc2OC(C)C)cc1 ZINC000169696311 IJ Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]2c2ccccc2OC(C)C)cc1 ZINC000169696312 IJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(C2=CCCC2)cc1 ZINC000169696513 IJ Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(C2=CCCC2)cc1 ZINC000169696514 IJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(C2=CCCC2)cc1 ZINC000169696515 IJ Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(C2=CCCC2)cc1 ZINC000169696516 IJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(C2CCCC2)cc1 ZINC000169696517 IJ Annotated Anodyne COCc1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(C2CCCC2)cc1 ZINC000169696518 IJ Annotated Anodyne COCc1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(C2CCCC2)cc1 ZINC000169696519 IJ Annotated Anodyne COCc1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(C2CCCC2)cc1 ZINC000169696520 IJ Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]2c2ccccc2OCC2CC2)cc1 ZINC000169696740 IJ Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]2c2ccccc2OCC2CC2)cc1 ZINC000169696741 IJ Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]2c2ccccc2OCC2CC2)cc1 ZINC000169696742 IJ Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]2c2ccccc2OCC2CC2)cc1 ZINC000169696743 IJ Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1cccc3c1OCO3)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696772 IJ Annotated Anodyne CSc1ccc(N2C(=O)c3n[nH]c(C(C)(C)C)c3[C@@H]2c2ccccc2OCCO)cc1 ZINC000169696778 IJ Annotated Anodyne CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C(C)(C)C)c3[C@H]2c2ccccc2OC)cc1 ZINC000169696817 IJ Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@@H](c1cccc[n+]1[O-])N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696827 IJ Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1CO)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000169696864 IJ Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(F)(F)F)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169696890 IJ Annotated Anodyne CO/N=C(/C)c1ccc(N2C(=O)c3n[nH]c(C(C)(C)C)c3[C@H]2c2ccccc2OC)cc1 ZINC000169696894 IJ Annotated Mild CC(C)(C)c1[nH]nc2c1[C@@H](c1cccc[n+]1[O-])N(c1ccc(-c3cccs3)cc1)C2=O ZINC000169696899 IJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000169696922 IJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2nccs2)cc1 ZINC000169696924 IJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(Br)cc1 ZINC000169696938 IJ Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000169696941 IJ Annotated Anodyne COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000169696943 IJ Annotated Anodyne COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC)N(CCCc2ccco2)C3=O)cc1 ZINC000169696949 IJ Annotated Anodyne CC(C)(CO)c1[nH]nc2c1[C@H](c1ccccn1)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696952 IJ Annotated Anodyne COc1ncccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cn1 ZINC000169696976 IJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccoc2)cn1 ZINC000169696977 IJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cn1 ZINC000169696978 IJ Annotated Anodyne COc1ncccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccco2)cn1 ZINC000169696979 IJ Annotated Anodyne COc1ncccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)nc1 ZINC000169696982 IJ Annotated Anodyne COc1ncccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccoc2)nc1 ZINC000169696983 IJ Annotated Anodyne COc1ncccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccco2)nc1 ZINC000169696984 IJ Annotated Anodyne CCNC(=O)c1c[nH]c(-c2cc(Oc3cccc(C(=O)Nc4occc4C)c3)ccn2)c1 ZINC000169699239 IJ Annotated Anodyne Cc1cn(C2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)c2ccc(F)cc12 ZINC000169699812 IJ Annotated Anodyne CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21CCCc2ccccc2C1 ZINC000169700372 IJ Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21CCCc2ccccc2C1 ZINC000169700373 IJ Annotated Mild CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@]21CCCc2ccccc2C1 ZINC000169700374 IJ Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@]21CCCc2ccccc2C1 ZINC000169700375 IJ Annotated Mild CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21C=C[C@@H](c2ccccc2)C1 ZINC000169700376 IJ Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@@]21C=C[C@@H](c2ccccc2)C1 ZINC000169700377 IJ Annotated Mild CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@]21C=C[C@@H](c2ccccc2)C1 ZINC000169700378 IJ Annotated Mild CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1C[C@]21C=C[C@@H](c2ccccc2)C1 ZINC000169700379 IJ Annotated Mild COC1CCC2(CC1)Cc1ccc(CC3CCCCC3)cc1[C@@]21N=C(N)N(C(C)C)C1=O ZINC000169700407 IJ Annotated Anodyne COC1CCC2(CC1)Cc1ccc(CC3CCCCC3)cc1[C@]21N=C(N)N(C(C)C)C1=O ZINC000169700408 IJ Annotated Anodyne N[C@@H]1CC[C@@H](Nc2nccn3c(-c4cccc(NCc5cccc(Cl)c5)n4)cnc23)CC1 ZINC000169701268 IJ Annotated Anodyne N[C@@H]1CC[C@@H](Nc2nccn3c(-c4cccc(NCc5ccccc5Cl)n4)cnc23)CC1 ZINC000169701271 IJ Annotated Anodyne N[C@@H]1CC[C@@H](Nc2nccn3c(-c4cccc(NCc5ccc(Cl)cc5)n4)cnc23)CC1 ZINC000169701273 IJ Annotated Anodyne COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)Cc2cccc(CC(=O)CO)c2)cc1 ZINC000169701393 IJ Annotated Anodyne CC(C)n1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2Cl)CC3)n1 ZINC000169702303 IJ Annotated Anodyne CCOc1cc([C@@H]2NC(=O)N=C(c3ccccc3)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1O ZINC000169702710 IJ Annotated Bother CCOc1cc([C@H]2NC(=O)N=C(c3ccccc3)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1O ZINC000169702711 IJ Annotated Bother CCOc1cc([C@@H]2NC(=O)N=C(c3ccccc3)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1O ZINC000169702712 IJ Annotated Bother CCOc1cc([C@H]2NC(=O)N=C(c3ccccc3)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1O ZINC000169702713 IJ Annotated Bother CCOc1cc([C@@H]2NC(=O)N=C(c3ccccc3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702714 IJ Annotated Bother CCOc1cc([C@H]2NC(=O)N=C(c3ccccc3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702715 IJ Annotated Bother CCOc1cc([C@@H]2NC(=O)N=C(c3ccccc3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702716 IJ Annotated Bother CCOc1cc([C@H]2NC(=O)N=C(c3ccccc3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000169702717 IJ Annotated Bother O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(Br)c(Br)[nH]1 ZINC000169702852 IJ Annotated Reactive O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(Br)c(Br)[nH]1 ZINC000169702857 IJ Annotated Reactive CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3cncc(C(F)(F)F)c3)ccc2F)C1(F)F ZINC000169702904 IJ Annotated Anodyne CCCCCCCCCCCC[C@@H]1C=C2C(=O)O[C@@]3(C)O[C@@]4(C)OC(=O)[C@]1(C=O)[C@H]4[C@@H]23 ZINC000169703049 IJ Annotated Mild CCCCCCCCCCCC[C@@H]1C=C2C(=O)O[C@@]3(C)O[C@@]4(C)OC(=O)[C@]1(CO)[C@H]4[C@@H]23 ZINC000169703050 IJ Annotated Mild CCc1nn(Cc2ccc(NC(=O)c3cc4ccc(F)cc4[nH]3)cc2)c(CC)c1CC(=O)O ZINC000169703191 IJ Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(CC)c1CC(=O)O ZINC000169703192 IJ Annotated Anodyne Nc1ccc(-c2cc(N[C@@H]3CC[C@@H](N)CC3)ncc2Cl)nc1NCc1cccc(F)c1 ZINC000169703627 IJ Annotated Anodyne NC[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cncc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703658 IJ Annotated Anodyne CCN(Cc1ccncc1)c1cccc(-c2cc(N[C@@H]3CC[C@@H](N)CC3)ncc2Cl)n1 ZINC000169703702 IJ Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NCC4CCNCC4)ncc3Cl)n2)c1 ZINC000169703759 IJ Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NC[C@@H]4CCCNC4)ncc3Cl)n2)c1 ZINC000169703761 IJ Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(NC[C@H]4CCCNC4)ncc3Cl)n2)c1 ZINC000169703762 IJ Annotated Anodyne COc1ncccc1-c1cnc2ccc(NC(=O)N[C@H](C)CCCc3ccccc3)nc2n1 ZINC000169704087 IJ Annotated Anodyne C[C@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3ccc(CO)cc3)nc2n1 ZINC000169704094 IJ Annotated Anodyne CCCn1cc(-c2cnc3ccc(NC(=O)N[C@H](C)CCCc4ccccc4)nc3n2)cn1 ZINC000169704097 IJ Annotated Anodyne O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3ccc(O)c(F)c3)nc2n1 ZINC000169704101 IJ Annotated Anodyne Cc1n[nH]c(C)c1-c1cnc2ccc(NC(=O)N[C@H](C)CCCc3ccccc3)nc2n1 ZINC000169704104 IJ Annotated Anodyne C[C@H](CCCc1ccccc1)NC(=O)Nc1ccc2ncc(-c3cccc(CO)c3)nc2n1 ZINC000169704107 IJ Annotated Anodyne COc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1 ZINC000169704670 IJ Annotated Anodyne O=C(NCC(F)(F)F)Nc1cc(Cl)cc(-c2cnc3cc(-c4ncccn4)ccn23)c1 ZINC000169704753 IJ Annotated Anodyne COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cccc(CN)c1 ZINC000169704801 IJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1nccs1 ZINC000169704808 IJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cscn1 ZINC000169704811 IJ Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4F)nn3Cc3cccnc3)c2cc1OC ZINC000169704837 IJ Annotated Mild CCc1ccn2c(C(=O)Nc3cccc4c3c(CC)nn4Cc3cccc(C)n3)cnc2c1 ZINC000169706557 IJ Annotated Anodyne CC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCC2CCCCC2)c1 ZINC000169707068 IJ Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCC(C)(C)C)c1 ZINC000169707082 IJ Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@@H]3CCC(=O)NC3)nn2-c2ccccc2)c1 ZINC000169707089 IJ Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CCC(=O)NC3)nn2-c2ccccc2)c1 ZINC000169707090 IJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2C(C)C)c1 ZINC000169707281 IJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(C(C)C)cc2)c1 ZINC000169707285 IJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(C(C)C)c2)c1 ZINC000169707314 IJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(C(C)(C)C)c2)c1 ZINC000169707316 IJ Annotated Anodyne C/C=C/c1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CCC)c2)c1 ZINC000169707401 IJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(CC(C)C)c2)c1 ZINC000169707403 IJ Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(CCC)c2)c1 ZINC000169707404 IJ Annotated Anodyne CC(C)(C)/C=C/c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707433 IJ Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCCC[C@H](C2)N3[C@@H]2/C=C/CCCCC2)c1=O ZINC000169707547 IJ Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CCCC[C@H](C2)N3[C@H]2/C=C/CCCCC2)c1=O ZINC000169707548 IJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4sccc4cn3)c2)c2cncnc21 ZINC000169707937 IJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4ccsc4c3)c2)c2cncnc21 ZINC000169707944 IJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3csc(C4CCC4)n3)c2)c2cncnc21 ZINC000169707979 IJ Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4cscc4cn3)c2)c2cncnc21 ZINC000169707998 IJ Annotated Anodyne CC(C)(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169708051 IJ Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1ON(C)C ZINC000169708257 IJ Annotated Anodyne Cc1occc1C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC(C)C)c3)C2)cc1 ZINC000169709407 IJ Annotated Anodyne Cc1occc1C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OC(C)C)c3)C2)cc1 ZINC000169709408 IJ Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4ccco4)cc3)C2)ccn1 ZINC000169709424 IJ Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)c4ccco4)cc3)C2)ccn1 ZINC000169709425 IJ Annotated Anodyne CC(C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)c4ccoc4)cc3)C2)ccn1 ZINC000169709428 IJ Annotated Anodyne CC(C)Oc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)c4ccoc4)cc3)C2)ccn1 ZINC000169709430 IJ Annotated Anodyne C[C@H](NC(=O)C1(C)CC1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709472 IJ Annotated Anodyne C[C@H](NC(=O)C1(C)CC1)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709473 IJ Annotated Anodyne C[C@H](NC(=O)C1CCC1)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709488 IJ Annotated Anodyne C[C@H](NC(=O)C1CCC1)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709489 IJ Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709517 IJ Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709519 IJ Annotated Anodyne C[C@H](NC(=O)C1(C)CC1)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709538 IJ Annotated Anodyne C[C@H](NC(=O)C1(C)CC1)c1ccc(O[C@H]2CCN(c3ccnc(OCC4CC4)c3)C2)cc1 ZINC000169709540 IJ Annotated Anodyne C[C@H](NC(=O)C(C)(C)C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709720 IJ Annotated Anodyne C[C@H](NC(=O)C(C)(C)C)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709721 IJ Annotated Anodyne Cn1nccc1CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710416 IJ Annotated Anodyne Cn1nccc1CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710417 IJ Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710457 IJ Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710458 IJ Annotated Anodyne O=C(NCc1ccncn1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710469 IJ Annotated Anodyne O=C(NCc1ccncn1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710470 IJ Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1ccno1 ZINC000169710490 IJ Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1ccno1 ZINC000169710491 IJ Annotated Anodyne Cn1nccc1C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710556 IJ Annotated Anodyne Cn1nccc1C(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710557 IJ Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1ncccn1 ZINC000169710558 IJ Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1ncccn1 ZINC000169710559 IJ Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1ccncn1 ZINC000169710563 IJ Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1ccncn1 ZINC000169710564 IJ Annotated Anodyne c1ccc([C@@H]2CCc3cc(Oc4ncc(CNCCn5cccn5)s4)ccc3O2)cc1 ZINC000169710601 IJ Annotated Anodyne c1ccc([C@H]2CCc3cc(Oc4ncc(CNCCn5cccn5)s4)ccc3O2)cc1 ZINC000169710602 IJ Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccsc2)O3)s1 ZINC000169710633 IJ Annotated Anodyne O=C(NCc1ccno1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccsc2)O3)s1 ZINC000169710634 IJ Annotated Anodyne Cc1ccc([C@@H]2CCc3cc(Oc4ncc(C(=O)NCc5ccno5)s4)ccc3O2)cn1 ZINC000169710640 IJ Annotated Anodyne Cc1ccc([C@H]2CCc3cc(Oc4ncc(C(=O)NCc5ccno5)s4)ccc3O2)cn1 ZINC000169710642 IJ Annotated Anodyne O=C(NC[C@@H]1CCCCN1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710685 IJ Annotated Anodyne O=C(NC[C@H]1CCCCN1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710686 IJ Annotated Anodyne O=C(NCc1ccno1)c1csc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)n1 ZINC000169710737 IJ Annotated Anodyne O=C(N[C@@H]1CCC[C@@H]1O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710742 IJ Annotated Anodyne O=C(N[C@H]1CCC[C@@H]1O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710743 IJ Annotated Anodyne O=C(N[C@@H]1CCC[C@H]1O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710744 IJ Annotated Anodyne O=C(N[C@H]1CCC[C@H]1O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710745 IJ Annotated Anodyne CCO[P@@](=O)(c1ccccc1)c1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1 ZINC000169712594 IJ Annotated Reactive CCO[P@](=O)(c1ccccc1)c1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1 ZINC000169712595 IJ Annotated Reactive CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716309 IJ Annotated Reactive CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716310 IJ Annotated Reactive O=c1[nH]c(O)c(Cc2ccc(OCCO/N=C/c3ccc(-c4ccccc4)cc3)cc2)s1 ZINC000169716343 IJ Annotated Mild O=N[C@@H](Cc1cccc(Br)c1)C(=O)NCCSSc1ccc(F)cc1 ZINC000169717442 IJ Annotated Reactive O=N[C@H](Cc1cccc(Br)c1)C(=O)NCCSSc1ccc(F)cc1 ZINC000169717443 IJ Annotated Reactive Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)[C@@H]3C=C[C@@H]4C3)cc2)cc1C ZINC000169718841 IJ Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)[C@H]3C=C[C@@H]4C3)cc2)cc1C ZINC000169718842 IJ Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)[C@H]3C=C[C@H]4C3)cc2)cc1C ZINC000169718843 IJ Annotated Anodyne CC1=CCc2c(c(O)n(-c3ccc(C(=O)OCC(=O)c4ccc(C)c(C)c4)cc3)c2O)C1 ZINC000169718846 IJ Annotated Anodyne O=C(COC(=O)c1ccc(-n2c(O)c3c(c2O)CC=CC3)cc1)c1ccc2ccccc2c1 ZINC000169718855 IJ Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)C[C@@H](C)CC4)cc2)cc1C ZINC000169718861 IJ Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)C[C@H](C)CC4)cc2)cc1C ZINC000169718862 IJ Annotated Anodyne O=C(CC(=O)c1ccc(Cl)cc1)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 ZINC000169719162 IJ Annotated Clean O=S(=O)(Nn1c(O)c(Cc2ccc(Cl)c(Cl)c2)sc1=S)c1ccccc1 ZINC000169719336 IJ Annotated Anodyne COCC[C@H]1C(=O)C(=O)[C@@H](C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000169719595 IJ Annotated Clean COCC[C@H]1C(=O)C(=O)[C@H](C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000169719596 IJ Annotated Clean O=S1(=O)NC(O)=CN1c1csc(-c2cccc(NC3CCCCC3)c2)c1Cl ZINC000169719920 IJ Annotated Anodyne CCOC(=O)C1=C(c2ccoc2)c2ccc(OCCCc3ccccc3)cc2C1=[N+](C)[O-] ZINC000169720123 IJ Annotated Mild CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCc3ccccc3)cc2C1=[N+](C)[O-] ZINC000169720131 IJ Annotated Mild C=C(C)[C@H]1Cc2c(oc3c4c(cc(=O)c-3c2O)OC(C)(C)C=C4)-c2c(O)cc(O)c(O)c21 ZINC000169723610 IJ Annotated Mild O=c1cc(-c2cc(F)c(F)c(F)c2F)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12 ZINC000169724621 IJ Annotated Mild O=c1cc(-c2cc(F)c(F)c(F)c2F)nc2c(-c3cccs3)c(C(F)(F)F)[nH]n12 ZINC000169724624 IJ Annotated Mild Cc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc2ccccc12 ZINC000169724683 IJ Annotated Anodyne COc1ccc2cc3n(cc-2/c1=N/CCc1cccs1)CCc1cc2c(cc1-3)OCO2 ZINC000169725109 IJ Annotated Anodyne CCCC1=Nc2[nH]ncc2[C@@H](c2cccc(C#N)c2Br)[C@@H]1c1nnc(C)o1 ZINC000169727126 IJ Annotated Mild CCCC1=Nc2[nH]ncc2[C@H](c2cccc(C#N)c2Br)[C@@H]1c1nnc(C)o1 ZINC000169727127 IJ Annotated Mild CCCC1=Nc2[nH]ncc2[C@H](c2cccc(C#N)c2Br)[C@H]1c1nnc(C)o1 ZINC000169727128 IJ Annotated Mild C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2ccc([N+](=O)[O-])c3c(Br)cccc23)c1O ZINC000169727137 IJ Annotated Bother C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2ccc([N+](=O)[O-])c3c(Br)cccc23)c1O ZINC000169727138 IJ Annotated Bother C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2ccc([N+](=O)[O-])c3c(Br)cccc23)c1O ZINC000169727139 IJ Annotated Bother Cc1ccc(N2Oc3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)[C@@H]2c2ccc(O)cc2)cc1 ZINC000169728038 IJ Annotated Anodyne Cc1ccc(N2Oc3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)[C@@H]2c2ccccc2O)cc1 ZINC000169728039 IJ Annotated Clean Cc1ccc(N2Oc3c(c(O)n(-c4ccc(C(=O)O)cc4)c3O)[C@@H]2c2ccccc2)cc1 ZINC000169728040 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCCc1ccnc(CN=O)c1O)CC2 ZINC000169728429 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCCc1ccnc(CN=O)c1O)CC2 ZINC000169728430 IJ Annotated Anodyne O=C(O)CC(=O)C[P@@](=O)(O)/C=C\C1=C(c2ccc(F)cc2)c2ccccc2C12CC2 ZINC000169728580 IJ Annotated Anodyne O=C(O)CC(=O)C[P@@](=O)(O)/C=C/C1=C(c2ccc(F)cc2)c2ccccc2C12CC2 ZINC000169728581 IJ Annotated Anodyne CC(C)N1CCC[C@@H](COC(=O)c2ccccc2-n2c(O)cc(Cc3ccccc3)c2O)C1 ZINC000169729240 IJ Annotated Anodyne CC(C)N1CCC[C@H](COC(=O)c2ccccc2-n2c(O)cc(Cc3ccccc3)c2O)C1 ZINC000169729241 IJ Annotated Anodyne O=C1N=C(CCc2ccc(O)cc2)[C@@H](C(=O)CCc2ccc(O)cc2)[C@@H](c2ccccc2)N1 ZINC000169729769 IJ Annotated Anodyne O=C1N=C(CCc2ccc(O)cc2)[C@H](C(=O)CCc2ccc(O)cc2)[C@@H](c2ccccc2)N1 ZINC000169729770 IJ Annotated Anodyne O=C1N=C(CCc2ccc(O)cc2)[C@@H](C(=O)CCc2ccc(O)cc2)[C@H](c2ccccc2)N1 ZINC000169729771 IJ Annotated Anodyne O=C1N=C(CCc2ccc(O)cc2)[C@H](C(=O)CCc2ccc(O)cc2)[C@H](c2ccccc2)N1 ZINC000169729772 IJ Annotated Anodyne CC(C)(C)c1cc(C(=O)O)c2c(c1)C(=O)O[C@]2(c1ccccc1)c1ccccc1C(=O)O ZINC000017176272 IJ Annotated Anodyne Cn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccc(Cl)cc2)c(N2CCCCC2)c1=O ZINC000017196020 IJ Annotated Mild O=[N+]([O-])c1ccc(-c2ccc(/C=N/n3c(S)nnc3-c3ccc(Cl)cc3)o2)cc1 ZINC000017198283 IJ Annotated Mild Oc1ccccc1-c1nnc(S)n1/N=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000017198293 IJ Annotated Mild COc1ccccc1[C@@](O)(c1ccccc1)[C@@](O)(c1ccccc1)c1ccccc1OC ZINC000017210480 IJ Annotated Anodyne O=C1CN2C(Cl)(Cl)[C@]2(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F ZINC000017218139 IJ Annotated Anodyne COc1cc(CCC[C@@H](O)COc2cccc3c2[C@]2(O)CCCCC[C@@H]32)cc(OC)c1 ZINC000017220281 IJ Annotated Anodyne COc1cc(CCC[C@H](O)COc2cccc3c2[C@]2(O)CCCCC[C@@H]32)cc(OC)c1 ZINC000017220285 IJ Annotated Anodyne Cc1nn(C(=O)Cc2ccccc2)c2c1[C@@H](c1ccc3ccccc3c1O)SC(N)=N2 ZINC000017221751 IJ Annotated Anodyne COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@H]2c2ccccc2)OCO4)c1O ZINC000017250843 IJ Annotated Anodyne COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@H]2c2ccccc2)OCO4)c1O ZINC000017250847 IJ Annotated Anodyne CCCCCOP(=O)(OCCCCC)[C@](NC(C)=O)(C(=O)OCC)C(F)(F)F ZINC000017256334 IJ Annotated Anodyne O=C(O)c1ccccc1Sc1ccc(/C=C2/NC(=S)N(c3ccccc3)C2=O)s1 ZINC000017261506 IJ Annotated Anodyne C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccco1 ZINC000017526821 IJ Annotated Reactive C=CCO/C(O)=C1\C(C)=NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccco1 ZINC000017526822 IJ Annotated Reactive COc1ccc([C@@H]2C=CCN(Cc3ccco3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017722018 IJ Annotated Anodyne COc1ccccc1NC(=O)Cn1c(O)c(/N=N\C(=O)c2ccccc2O)c2ccccc21 ZINC000017862828 IJ Annotated Clean COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(O)c2/C=N/Cc2ccccc2)cc1 ZINC000017949712 IJ Annotated Mild aggregator COc1ccc([C@H]2C=CCN(C(=O)CC(C)(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018009241 IJ Annotated Anodyne Cc1cccc(Nc2nnc(SCC(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)s2)c1C ZINC000018046597 IJ Annotated Mild Cc1cccc(Nc2nnc(SCC(=O)[C@H](C#N)c3nc4ccccc4[nH]3)s2)c1C ZINC000018046599 IJ Annotated Mild Cc1ccc(Nc2nnc(SCC(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)s2)c(C)c1 ZINC000018068015 IJ Annotated Mild Cc1ccc(Nc2nnc(SCC(=O)[C@H](C#N)c3nc4ccccc4[nH]3)s2)c(C)c1 ZINC000018068016 IJ Annotated Mild COc1ccc([C@H]2C=CCN(Cc3ccco3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018069131 IJ Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018091020 IJ Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018126972 IJ Annotated Anodyne CCCCC(=O)N1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@@H]1C ZINC000018129077 IJ Annotated Anodyne CCOc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCC(=O)C(C)(C)C)nc32)cc1 ZINC000018129449 IJ Annotated Anodyne CCCCC(=O)N1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@@H]1C ZINC000018142024 IJ Annotated Anodyne Cc1cccc(C)c1Nc1nnc(SCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)s1 ZINC000018142736 IJ Annotated Mild Cc1cccc(C)c1Nc1nnc(SCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)s1 ZINC000018142739 IJ Annotated Mild COc1ccc([C@@H]2C=CCN(C(=O)CC(C)(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018188448 IJ Annotated Anodyne COCCN(Cc1cc2ccc(F)cc2nc1N1CCCCCC1)C(=O)c1ccoc1 ZINC000019113054 IJ Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)CCc2ccccc2)[C@]13C(=O)O ZINC000194935516 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)CCc2ccccc2)[C@]13C(=O)O ZINC000194935536 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000194957739 IJ Annotated Mild CC(C)CCC#C[C@@H](O)[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 ZINC000194959842 IJ Annotated Mild CC(C)CCC#C[C@H](O)[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 ZINC000194959859 IJ Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000019723261 IJ Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000019723263 IJ Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000019723264 IJ Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000019723266 IJ Annotated Mild CCOc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@@H]32)ccc1O ZINC000019825349 IJ 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]4CCCC[C@H]24)[C@]13C(=O)O ZINC000195113379 IJ 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]4CCCC[C@H]24)[C@]13C(=O)O ZINC000195113395 IJ Annotated Mild C[C@H]1/C(=N/N=C2\NC(=O)CS2)C[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000195171430 IJ Annotated Mild C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000195171444 IJ Annotated Mild COc1ccc(C(=O)CCC[C@@H]2OO[C@@H]3CCC[C@@](c4ccc(OC)cc4)(OO2)O3)cc1 ZINC000195187092 IJ Annotated Reactive COc1ccc(C(=O)CCC[C@H]2OO[C@@H]3CCC[C@@](c4ccc(OC)cc4)(OO2)O3)cc1 ZINC000195187104 IJ Annotated Reactive CCCCCCOC[C@]12C[C@@H]3[C@H](C)C(=O)C[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000195277589 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)OC2CCCCC2)[C@@]13C(=O)O ZINC000195293885 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)OC2CCCCC2)[C@@]13C(=O)O ZINC000195293897 IJ Annotated Mild CCCCCCOC[C@]12C[C@H]3[C@@H](CC[C@]3(C)O)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000195315323 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000195329347 IJ Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000195329358 IJ Annotated Mild CCCCO[C@@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000195356672 IJ Annotated Mild CCCCO[C@H]1CC([C@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000195356681 IJ Annotated Mild CC(C)=CC(=O)OCC[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 ZINC000195367028 IJ Annotated Mild CC(C)=CC(=O)OCC[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 ZINC000195367036 IJ Annotated Mild O=C1[C@@H]2CN(C(=O)Nc3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000195374277 IJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(c3ccccc3)CCCC[C@H]1[C@H]2NC(=O)C(F)(F)F ZINC000195380394 IJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(c3ccccc3)CCCC[C@@H]1[C@H]2NC(=O)C(F)(F)F ZINC000195380400 IJ Annotated Anodyne O[C@@H]1C[C@@H](c2ccccc2)N(Cc2cccs2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000195394261 IJ Annotated Anodyne O[C@H]1C[C@@H](c2ccccc2)N(Cc2cccs2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000195394269 IJ Annotated Anodyne O[C@@H]1C[C@H](c2ccccc2)N(Cc2cccs2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000195394280 IJ Annotated Anodyne CC[C@H]1[C@@H]2Nc3ccccc3[C@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000195427438 IJ Annotated Mild CO[C@H](CO[Si](C)(C)N[Si](C)(C)OC[C@H](OC)c1ccccc1)c1ccccc1 ZINC000195468621 IJ Annotated Reactive CO[C@H](CO[Si](C)(C)N[Si](C)(C)OC[C@@H](OC)c1ccccc1)c1ccccc1 ZINC000195468625 IJ Annotated Reactive CO[C@@H](CO[Si](C)(C)N[Si](C)(C)OC[C@H](OC)c1ccccc1)c1ccccc1 ZINC000195468629 IJ Annotated Reactive CC(C)[Si](O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5)(C(C)C)C(C)C ZINC000195498778 IJ Annotated Reactive C=C(C)CC1=C(C(=S)NCCO[Si](C)(C)C(C)(C)C)C(OCC)(OCC)C1=O ZINC000195505609 IJ Annotated Reactive CC1=C[C@@H]2/C=C\C[C@H](C)CCC[C@@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000195512105 IJ Annotated Mild CC1=C[C@@H]2/C=C\C[C@H](C)CCC[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000195512108 IJ Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)CCC[C@@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000195512110 IJ Annotated Mild COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4c5ccccc5C[C@H]4[C@H]3C2=O)cc1 ZINC000195517947 IJ Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2c4ccccc4C[C@@H]32)cc1 ZINC000195517949 IJ Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4c5ccccc5C[C@@H]4[C@H]3C2=O)cc1 ZINC000195517951 IJ Annotated Anodyne Cc1c(Sc2c(Cl)cccc2Cl)n(COCC[Si](C)(C)C)c(=O)[nH]c1=O ZINC000195519377 IJ Annotated Anodyne CCC1C[C@@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)ccc1OC)N[C@@H]2c1cc(OC)ccc1OC ZINC000195521020 IJ Annotated Anodyne CCC1C[C@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)ccc1OC)N[C@H]2c1cc(OC)ccc1OC ZINC000195521022 IJ Annotated Anodyne CCC1C[C@@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)ccc1OC)N[C@H]2c1cc(OC)ccc1OC ZINC000195521023 IJ Annotated Anodyne CCC1C[C@@H]2C(=O)[C@H](C1)[C@H](c1ccc(OC)c(OC)c1)N[C@@H]2c1ccc(OC)c(OC)c1 ZINC000195521145 IJ Annotated Anodyne CCC1C[C@H]2C(=O)[C@H](C1)[C@H](c1ccc(OC)c(OC)c1)N[C@H]2c1ccc(OC)c(OC)c1 ZINC000195521146 IJ Annotated Anodyne CCC1C[C@@H]2C(=O)[C@H](C1)[C@H](c1ccc(OC)c(OC)c1)N[C@H]2c1ccc(OC)c(OC)c1 ZINC000195521148 IJ Annotated Anodyne CS(=O)(=O)N=C1C=CC(=Nc2c3ccc(N[N+]#N)cc3nc3ccc(NN=N)cc23)C=C1 ZINC000195751712 IJ Annotated Mild COC(C)(C)[C@@H]1CC[C@@]2(C)C[C@@H]1C1=C([C@H](CC(C)=O)OC1=O)[C@@H]2/C=C/OC(=O)C=C(C)C ZINC000195945815 IJ Annotated Anodyne Cc1c2c(cc3c1C[C@@H](O)CC3)[C@]13CC[C@H]([C@H](C)[C@]4(OC(C)(C)[C@@H](C)[C@H]4O)O1)[C@@]3(C)C=C2 ZINC000196857539 IJ Annotated Anodyne CCC(=O)O[C@H]1CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2C[C@H]2C(C)=CC[C@H](OC(C)=O)[C@]12C ZINC000197428610 IJ Annotated Anodyne CCC(=O)O[C@H]1CC/C(C)=C\[C@H]2OC(=O)C(C)=C2C[C@H]2C(C)=CC[C@H](OC(C)=O)[C@]12C ZINC000197428650 IJ Annotated Anodyne C=C[C@@H]1CC(=O)C(C)(C)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 ZINC000197977895 IJ Annotated Reactive C=C[C@@H]1C[C@@H](O)C(C)(C)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 ZINC000197977904 IJ Annotated Reactive COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC)[C@@H](C)[C@@H](C)C2 ZINC000198014386 IJ Annotated Anodyne COc1ccc(-c2coc3c(CC=C(C)C)c4c(c(O)c3c2=O)C[C@H](C(C)(C)O)O4)cc1 ZINC000198023339 IJ Annotated Anodyne COc1ccc(-c2coc3c4c(c(CC=C(C)C)c(O)c3c2=O)O[C@@H](C(C)(C)O)C4)cc1 ZINC000198023354 IJ Annotated Anodyne N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(CCc3ccccc3)c2ncn1CCO ZINC000198217650 IJ Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1 ZINC000198390800 IJ Annotated Anodyne O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1 ZINC000198390812 IJ Annotated Anodyne Cc1ccc(OCCn2c(CCNC(=O)c3ccc(F)cc3F)nc3ccccc32)cc1 ZINC000198407589 IJ Annotated Anodyne C/C=C/C1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)O[C@@]3(C)[C@@](O)(CC(C)=O)C2=CO1 ZINC000198589042 IJ Annotated Mild Cc1ccc2c(c1)-c1c(c(=O)n(Cc3ccc(F)cc3)c3nncn13)C1(CCCCC1)C2 ZINC000199230512 IJ Annotated Anodyne c1ccc(Cc2cnc(N3CCN(Cc4cccc(-c5ccsc5)n4)CC3)nc2)cc1 ZINC000199271396 IJ Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@H]1C[C@@H](O)[C@@]1(O)[C@@](C)(COC(=O)c3ccccc3)CCC[C@]21C ZINC000199328871 IJ Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@H]1O[C@H]1[C@@]1(O)C(C)(C)[C@@H](OC(=O)c3ccccc3)CC[C@]21C ZINC000199331268 IJ Annotated Anodyne CC1(C)CC(=O)C=C(c2ccc(COC(=O)c3ccc(Br)cc3)cc2)C1=O ZINC000199355361 IJ Annotated Mild O=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000199391877 IJ Annotated Anodyne C=CCNC1=N[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000199423945 IJ Annotated Mild C=CCNC1=N[C@H](c2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000199423964 IJ Annotated Mild C=CCNC1=N[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000199425767 IJ Annotated Mild C=CCNC1=N[C@H](c2ccccc2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000199425784 IJ Annotated Mild COC(=O)C1=C(C)N(C)C(NCc2ccccc2C(F)(F)F)=N[C@H]1CCc1ccccc1 ZINC000199429184 IJ Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1CCc1ccccc1 ZINC000199429205 IJ Annotated Anodyne C=CCNC1=N[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199429480 IJ Annotated Mild C=CCNC1=N[C@H](c2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199429503 IJ Annotated Mild CCNC1=N[C@H](c2cccc(F)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199430159 IJ Annotated Anodyne CCNC1=N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199430173 IJ Annotated Anodyne CCNC1=N[C@H](c2ccc(F)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199430898 IJ Annotated Anodyne CCNC1=N[C@@H](c2ccc(F)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199430916 IJ Annotated Anodyne CCNC1=N[C@H](c2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000199434261 IJ Annotated Anodyne CCNC1=N[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000199434278 IJ Annotated Anodyne CCNC1=N[C@H](c2ccc(F)cc2)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000199434346 IJ Annotated Anodyne CCNC1=N[C@@H](c2ccc(F)cc2)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000199434360 IJ Annotated Anodyne CCNC1=N[C@H](c2ccc(F)cc2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000199434381 IJ Annotated Anodyne CCNC1=N[C@@H](c2ccc(F)cc2)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000199434399 IJ Annotated Anodyne CC(=O)OC[C@H]1O[C@H](C#Cc2ccc(C(C)(C)C)cc2)C=C[C@H]1OC(=O)Nc1ccccc1 ZINC000199721009 IJ Annotated Mild C[C@H]1[C@@H]2C[C@@]3(O[C@H](c4ccccn4)N=C3C[C@@H]1c1ccccc1)N(Cc1ccncc1)C2=O ZINC000199724062 IJ Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000199725289 IJ Annotated Anodyne CC(=O)C1=C(C)N(Cc2ccc(Br)cc2)C(=S)N[C@H]1c1ccc(F)cc1 ZINC000199727805 IJ Annotated Mild CC(=O)C1=C(C)N(Cc2ccc(Br)cc2)C(=S)N[C@@H]1c1ccc(F)cc1 ZINC000199727826 IJ Annotated Mild CC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@H]1c1ccc(Br)cc1 ZINC000199728393 IJ Annotated Mild CC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@@H]1c1ccc(Br)cc1 ZINC000199728416 IJ Annotated Mild CC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@H]1c1cccc(Br)c1 ZINC000199728494 IJ Annotated Mild CC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@@H]1c1cccc(Br)c1 ZINC000199728513 IJ Annotated Mild COC(=O)N1C[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)[C@H]2C[C@@H]1c1ccccc1O2 ZINC000199735451 IJ Annotated Anodyne O=C1C[C@H]2c3cc(-c4cc5ccccc5o4)ccc3CCN2C(=O)CN1Cc1ccccc1 ZINC000199736618 IJ Annotated Anodyne O=C1C[C@@H]2c3cc(-c4cc5ccccc5o4)ccc3CCN2C(=O)CN1Cc1ccccc1 ZINC000199736637 IJ Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)[C@@H]1C[C@H](N(C)C(=O)c3ccco3)[C@H]([C@H](C)O)CN1CC2 ZINC000199740288 IJ Annotated Anodyne CC(=O)O[C@H]1C=C[C@@H](C#Cc2ccc(C(C)(C)C)cc2)O[C@@H]1COC(=O)Nc1ccccc1 ZINC000199742152 IJ Annotated Mild CC(=O)O[C@@H]1C=C[C@@H](C#Cc2ccc(C(C)(C)C)cc2)O[C@@H]1COC(=O)Nc1ccccc1 ZINC000199742192 IJ Annotated Mild CC1(C)C=C2C(=O)C=C(c3ccc4c(c3)C(=O)C3=CC(C)(C)C[C@@H]3[C@@]4(C)O)[C@](C)(O)[C@H]2C1 ZINC000199914761 IJ Annotated Mild COc1ccc(-c2nc(CCCCCCc3nnn[nH]3)oc2-c2ccc(OC)cc2)cc1 ZINC000002014190 IJ Annotated Anodyne investigational CCCCOc1ccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000002128924 IJ Annotated Anodyne CCCCOc1ccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000002128931 IJ Annotated Anodyne CCCCOc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000002161379 IJ Annotated Anodyne CCCCOc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000002161391 IJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000002251940 IJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000002251941 IJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000002256123 IJ Annotated Anodyne Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)no1 ZINC000002256124 IJ Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1 ZINC000002313891 IJ Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1 ZINC000002313892 IJ Annotated Anodyne O=C1CN(C(=O)C2CCCC2)[C@@H](c2ccc(F)cc2)c2cc(Br)ccc2N1 ZINC000002456283 IJ Annotated Anodyne O=C1CN(C(=O)C2CCCC2)[C@H](c2ccc(F)cc2)c2cc(Br)ccc2N1 ZINC000002456285 IJ Annotated Anodyne O=C1CN(C(=O)c2cccs2)[C@H](c2ccc(F)cc2)c2cc(Br)ccc2N1 ZINC000002456340 IJ Annotated Anodyne O=C1CN(C(=O)c2cccs2)[C@@H](c2ccc(F)cc2)c2cc(Br)ccc2N1 ZINC000002456341 IJ Annotated Anodyne O=C1CN(C(=O)c2ccc(Br)o2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 ZINC000002456418 IJ Annotated Anodyne O=C1CN(C(=O)c2ccc(Br)o2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 ZINC000002456420 IJ Annotated Anodyne Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccc(Br)o1)CC(=O)N2 ZINC000002456495 IJ Annotated Anodyne Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccc(Br)o1)CC(=O)N2 ZINC000002456497 IJ Annotated Anodyne O=C1CN(C(=O)c2cc3ccccc3oc2=O)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 ZINC000002456619 IJ Annotated Anodyne O=C1CN(C(=O)c2cc3ccccc3oc2=O)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 ZINC000002456622 IJ Annotated Anodyne CC(C)(C)N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000002461487 IJ Annotated Mild COc1ccc(CNCc2cn3c(-c4cccc(Br)c4)nnc3s2)cc1 ZINC000002467031 IJ Annotated Anodyne COc1ccc(CNCc2cn3c(-c4ccc(Br)cc4)nnc3s2)cc1 ZINC000002467111 IJ Annotated Anodyne COc1cccc([C@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)c1 ZINC000002472304 IJ Annotated Anodyne COc1cccc([C@@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)c1 ZINC000002472309 IJ Annotated Anodyne COc1cccc([C@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)c1 ZINC000002472311 IJ Annotated Anodyne COc1ccc([C@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)cc1 ZINC000002472318 IJ Annotated Anodyne COc1ccc([C@@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)cc1 ZINC000002472324 IJ Annotated Anodyne COc1ccc([C@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)cc1 ZINC000002472327 IJ Annotated Anodyne CCOc1ccc([C@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)cc1 ZINC000002472333 IJ Annotated Anodyne CCOc1ccc([C@@H]2C[C@@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)cc1 ZINC000002472334 IJ Annotated Anodyne CCOc1ccc([C@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)cc1 ZINC000002472336 IJ Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(OC)c(OC)c1OC ZINC000002478178 IJ Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002478220 IJ Annotated Bother O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002480229 IJ Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000002480491 IJ Annotated Anodyne CCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002481093 IJ Annotated Bother COCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482168 IJ Annotated Bother CCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(OC)c(OC)c1OC ZINC000002482252 IJ Annotated Anodyne CCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002482290 IJ Annotated Bother O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002483098 IJ Annotated Anodyne CCCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1Br ZINC000002483356 IJ Annotated Anodyne CCCCCOC[C@H]1C[C@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000002484521 IJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(C)=O)CC(C)(C)O2 ZINC000002488807 IJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(C)=O)CC(C)(C)O2 ZINC000002488809 IJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(C)=O)CC1(CCCCC1)O2 ZINC000002489242 IJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(C)=O)CC1(CCCCC1)O2 ZINC000002489243 IJ Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002489251 IJ Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002489253 IJ Annotated Anodyne COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002489408 IJ Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002489409 IJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000002489465 IJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000002489466 IJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000002489468 IJ Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(C)=O)CC1(CCCCC1)O2 ZINC000002489469 IJ Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000002491886 IJ Annotated Anodyne CCOc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000020076018 IJ Annotated Anodyne CC[C@@H](C)/N=C(\O)[C@H]1c2ccccc2C(=O)N1Cc1cc(Br)ccc1OC ZINC000020152501 IJ Annotated Anodyne CC[C@H](C)/N=C(\O)[C@H]1c2ccccc2C(=O)N1Cc1cc(Br)ccc1OC ZINC000020152503 IJ Annotated Anodyne CC[C@@H](C)/N=C(\O)[C@@H]1c2ccccc2C(=O)N1Cc1cc(Br)ccc1OC ZINC000020152505 IJ Annotated Anodyne CC[C@H](C)/N=C(\O)[C@@H]1c2ccccc2C(=O)N1Cc1cc(Br)ccc1OC ZINC000020152507 IJ Annotated Anodyne C[C@H](C(=O)NCCc1ccccc1)[C@@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000020237414 IJ Annotated Anodyne C[C@@H](C(=O)NCCc1ccccc1)[C@@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000020237417 IJ Annotated Anodyne C[C@H](C(=O)NCCc1ccccc1)[C@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000020237420 IJ Annotated Anodyne C[C@@H](C(=O)NCCc1ccccc1)[C@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000020237423 IJ Annotated Anodyne Cn1c(C(=O)N2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc2sccc21 ZINC000020382863 IJ Annotated Anodyne Cn1c(C(=O)N2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc2sccc21 ZINC000020382867 IJ Annotated Anodyne CCOC(=O)c1sc(N(Cc2nc(-c3cccc(C)c3)oc2C)C(C)=O)c(C#N)c1C ZINC000020386058 IJ Annotated Mild C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)C[C@H](OC(C)=O)C(=C)[C@H]23)[C@](C)(OC(=O)CCC)CCC1=O ZINC000200063181 IJ Annotated Mild O=C1c2c(nc3ccccn23)NC(c2ccc(Br)cc2)=N[C@H]1Cc1ccccc1 ZINC000200213090 IJ Annotated Anodyne Cc1cc(C)cc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000201441044 IJ Annotated Anodyne CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2Cl)c1 ZINC000201459240 IJ Annotated Anodyne COc1ccc(CCN(Cc2cccs2)S(=O)(=O)c2ccc(C)s2)cc1OC ZINC000201463356 IJ Annotated Anodyne CCCCCCCCCC[C@@H]1C(=O)O[C@H]1CCCCCS(=O)(=O)CCCN(C)C ZINC000201545397 IJ Annotated Mild CCCCCCCCCC[C@H]1C(=O)O[C@@H]1CCCCCS(=O)(=O)CCCN(C)C ZINC000201549233 IJ Annotated Mild CCCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NC)c2cc(OC)c(OC)cc12 ZINC000201595604 IJ Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc(C)ccc3nc2NC)c2cc(OC)c(OC)cc12 ZINC000201639280 IJ Annotated Anodyne C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@H](COC(C)=O)[C@H](COC(C)=O)CC(=O)OC)[C@@H]12 ZINC000202282995 IJ Annotated Mild CC(C)CN1C(=O)C[C@@]2(C(=O)N(C)c3ccc(NC(=O)C(C)(C)C)cc32)[C@H]1c1ccccc1 ZINC000203470122 IJ Annotated Anodyne CC(C)CN1C(=O)C[C@@]2(C(=O)N(C)c3ccc(NC(=O)C(C)(C)C)cc32)[C@@H]1c1ccccc1 ZINC000203470127 IJ Annotated Anodyne CC(C)CN1C(=O)C[C@]2(C(=O)N(C)c3ccc(NC(=O)C(C)(C)C)cc32)[C@H]1c1ccccc1 ZINC000203470170 IJ Annotated Anodyne CC(C)CN1C(=O)C[C@]2(C(=O)N(C)c3ccc(NC(=O)C(C)(C)C)cc32)[C@@H]1c1ccccc1 ZINC000203470175 IJ Annotated Anodyne CC(C)[C@H]1/C(=C/C2CC2)N2C(=O)C[C@@H](c3ccccc3)N=C2N1Cc1ccc2c(c1)OCO2 ZINC000203471754 IJ Annotated Anodyne O=C1C[C@@H](c2ccccc2)N=C2N(Cc3ccc4c(c3)OCO4)C/C(=C/c3ccccc3)N12 ZINC000203471793 IJ Annotated Anodyne Cc1cc(C)cc(NC(=O)[C@]2(C(=O)C3CC3)CC(c3ccccc3C(F)(F)F)=NO2)c1 ZINC000203473975 IJ Annotated Anodyne Cc1cc(C)cc(NC(=O)[C@@]2(C(=O)C3CC3)CC(c3ccccc3C(F)(F)F)=NO2)c1 ZINC000203473981 IJ Annotated Anodyne Nc1n[nH]c2cc(-c3ccc(-c4nn[nH]n4)cc3)nc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000204807249 IJ Annotated Anodyne COc1ccc2c(c1)[C@]1(N=C2N)c2cc(Br)ccc2CC12CCC(OC)CC2 ZINC000204984114 IJ Annotated Anodyne COc1ccc2c(c1)[C@@]1(N=C2N)c2cc(Br)ccc2CC12CCC(OC)CC2 ZINC000204984137 IJ Annotated Anodyne COc1ccc2c(c1)[C@]1(N=C2N)c2cc(C#CC3CC3)ccc2CC12CCC(OC)CC2 ZINC000204987391 IJ Annotated Mild COc1ccc2c(c1)[C@@]1(N=C2N)c2cc(C#CC3CC3)ccc2CC12CCC(OC)CC2 ZINC000204987410 IJ Annotated Mild O=C(CCN1C(=O)c2ccccc2Sc2ncccc21)N[C@@H]1CCCc2ccccc21 ZINC000020512178 IJ Annotated Anodyne O=C(CCN1C(=O)c2ccccc2Sc2ncccc21)N[C@H]1CCCc2ccccc21 ZINC000020512182 IJ Annotated Anodyne CCOc1ccccc1-c1cc(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)on1 ZINC000020559363 IJ Annotated Anodyne CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)s1 ZINC000020562010 IJ Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)s1 ZINC000020562013 IJ Annotated Mild CC[C@@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)s1 ZINC000020562016 IJ Annotated Mild CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)s1 ZINC000020562019 IJ Annotated Mild O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CC=C(c2ccccc2)CC1 ZINC000020580933 IJ Annotated Anodyne O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CC[C@@H](c2ccccc2)C1 ZINC000020581095 IJ Annotated Anodyne O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CC[C@H](c2ccccc2)C1 ZINC000020581097 IJ Annotated Anodyne C[C@@H](CCc1ccco1)N(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581100 IJ Annotated Anodyne C[C@H](CCc1ccco1)N(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000020581103 IJ Annotated Anodyne O=C1C[C@H](NCc2ccc(Cl)cc2)C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 ZINC000020663258 IJ Annotated Anodyne COc1ccc2cc(C3=C[C@@H](c4ccc(Br)cc4)N4N=CNC4=N3)ccc2c1 ZINC000020754375 IJ Annotated Anodyne COc1ccc2cc(C3=C[C@H](c4ccc(Br)cc4)N4N=CNC4=N3)ccc2c1 ZINC000020754379 IJ Annotated Anodyne O=C(c1ccccc1)n1c2ccccc2c2nnc(SCc3ccccc3[N+](=O)[O-])nc21 ZINC000205093416 IJ Annotated Bother N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)c3ccc(F)cc3)c2n1 ZINC000205096487 IJ Annotated Mild CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000205141571 IJ Annotated Anodyne Cc1cc(F)ccc1-c1cnc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)nc1 ZINC000205147864 IJ Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(C(F)(F)F)cc2F)ncc1F ZINC000205153886 IJ Annotated Anodyne Cc1cc(-c2cnc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)nc2)ccc1F ZINC000205156403 IJ Annotated Anodyne in-vitro CCOCCOc1cccc2[nH]c([C@@H]3[C@H]4CC[C@H](C4)N3C(=O)NCc3ccccc3C)nc12 ZINC000205208709 IJ Annotated Anodyne COc1ccc(CN2CCN(c3ncc(C(=O)Nc4ccc(C(C)C)cc4)o3)C2=O)cc1 ZINC000205208880 IJ Annotated Anodyne CC(C)c1ccc(NC(=O)C2=CN3CCN(Cc4cccc(Cl)c4)C(=O)N=C3O2)cc1 ZINC000205209828 IJ Annotated Anodyne COc1ccc(-c2ccc3c(c2)COCC(=O)N3Cc2cc(F)cc(F)c2)cc1OC ZINC000205222531 IJ Annotated Anodyne NC(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccc(C(F)(F)F)cc2)c1 ZINC000205222619 IJ Annotated Anodyne CC(C)c1ccc(NC(=O)C2=COC3=NC(=O)N(Cc4cccc(Cl)c4)CCN23)cc1 ZINC000205225060 IJ Annotated Anodyne CN(C)C(=O)c1ccc(CN2C(=O)COCc3cc(-c4cc5ccccc5o4)ccc32)cc1 ZINC000205228911 IJ Annotated Anodyne Cc1ccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccc(C(=O)N(C)C)cc2)cc1C ZINC000205233497 IJ Annotated Anodyne CNc1nc2cnc(Nc3ccc4c(c3)OCCO4)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000205234930 IJ Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nn(C)cc4c3)c2cn1)c1ccc(F)cc1 ZINC000205425342 IJ Annotated Anodyne Cn1cc2cc(-c3n[nH]c4cc(NC(=O)NCc5ccc(F)c(Cl)c5)ncc34)ccc2n1 ZINC000205425365 IJ Annotated Anodyne CC1(C)C=Cc2c(cc3oc4c(c(=O)c3c2O)C[C@H]2c3c(c(O)cc(O)c3-4)OC2(C)C)O1 ZINC000205483059 IJ Annotated Anodyne CCNc1nc2ccc(OC)cc2cc1Cc1c(=O)[nH]c(CC)c2cc(OC)c(OC)cc12 ZINC000205600790 IJ Annotated Anodyne C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@H](C)CCC[C@]12O ZINC000205655298 IJ Annotated Anodyne C[C@H]1[C@@H](OC(=O)Nc2ccc(Br)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205708633 IJ Annotated Anodyne CCC[C@H]1[C@@H](OC(=O)NCc2ccc(OC)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205710539 IJ Annotated Anodyne O=C(NCc1ccc(Cl)c(Cl)c1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 ZINC000205710980 IJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205711486 IJ Annotated Anodyne C[C@H]1[C@@H](OC(=O)NCc2ccc(C(F)(F)F)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205711684 IJ Annotated Anodyne Cc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000205728120 IJ Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O ZINC000205777891 IJ Annotated Mild CC(C)CC(=O)c1c(O)cc(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000205777919 IJ Annotated Mild CC(C)CC(=O)c1c(O)cc(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000205781687 IJ Annotated Mild COc1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000205782253 IJ Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c3c(c(C(=O)[C@@H](C)CC)c2O)OC(C)(C)C=C3)c(O)c1C ZINC000205791158 IJ Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c3c(c(C(=O)[C@@H](C)CC)c2O)OC(C)(C)CC3)c(O)c1C ZINC000205791470 IJ Annotated Anodyne CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccc(O)c3ncccc13)=C2[Si](C)(C)C ZINC000205838621 IJ Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccc(O)c3ncccc13)=C2[Si](C)(C)C ZINC000205838639 IJ Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccc(O)c3ncccc13)=C2[Si](C)(C)C ZINC000205838650 IJ Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccc(O)c3ncccc13)=C2[Si](C)(C)C ZINC000205838666 IJ Annotated Clean COc1ccc(C2=C([Si](C)(C)C)[C@@]3(OC)C(=O)c4ccccc4C(=O)[C@H]23)c2cccnc12 ZINC000205838688 IJ Annotated Clean COc1ccc(C2=C([Si](C)(C)C)[C@]3(OC)C(=O)c4ccccc4C(=O)[C@H]23)c2cccnc12 ZINC000205838709 IJ Annotated Clean COc1ccc(C2=C([Si](C)(C)C)[C@@]3(OC)C(=O)c4ccccc4C(=O)[C@@H]23)c2cccnc12 ZINC000205838728 IJ Annotated Clean COc1ccc(C2=C([Si](C)(C)C)[C@]3(OC)C(=O)c4ccccc4C(=O)[C@@H]23)c2cccnc12 ZINC000205838744 IJ Annotated Clean O=c1c(-c2ccco2)nc2ccccc2n1/C=C(/c1ccccc1)n1c(=O)[nH]c2ccccc21 ZINC000205860775 IJ Annotated Anodyne O=C1Nc2ccccc2NC(c2ccccc2)=C1n1c(-c2cnccn2)nc2ccccc21 ZINC000205863301 IJ Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO ZINC000205867946 IJ Annotated Mild CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@@H](C2=C[C@H](O)[C@H]3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO ZINC000205867969 IJ Annotated Mild O=S(=O)(c1ccoc1)N1[C@H](c2nc3c(OCc4ccccc4)cccc3[nH]2)[C@H]2CC[C@@H]1C2 ZINC000206016502 IJ Annotated Anodyne COc1ccc(Nc2nccc3c2cc(-c2ccc(C(=O)N(C)C)cc2)n3C)c(OC)c1 ZINC000206016800 IJ Annotated Anodyne COc1cc2onc([C@H]3CCCN3C(=O)c3ccc(Br)cc3)c2cc1OC ZINC000206029938 IJ Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccc(OC)cc21 ZINC000206032758 IJ Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(C(C)C)cc2)c2ccc(OC)cc21 ZINC000206032778 IJ Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000206032977 IJ Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000206032998 IJ Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc21 ZINC000206033137 IJ Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc21 ZINC000206033162 IJ Annotated Anodyne CCOC(=O)c1cccn1[C@H]1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(Cl)cc21 ZINC000206035248 IJ Annotated Anodyne CCOC(=O)c1cccn1[C@@H]1C(=O)N(Cc2ccc(Cl)nc2)c2ccc(Cl)cc21 ZINC000206035262 IJ Annotated Anodyne COC(=O)[C@H]1[C@H]2[C@@H]3[C@H](c4ccc(C)cc4)Nc4ccccc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035654 IJ Annotated Anodyne COC(=O)[C@@H]1[C@H]2[C@@H]3[C@H](c4ccc(C)cc4)Nc4ccccc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035667 IJ Annotated Anodyne COC(=O)[C@@H]1[C@H]2[C@@H]3[C@H](c4cccs4)Nc4ccccc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035733 IJ Annotated Anodyne COC(=O)[C@H]1[C@H]2[C@@H]3[C@H](c4cccs4)Nc4ccccc4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035753 IJ Annotated Anodyne COC(=O)[C@H]1[C@H]2[C@@H]3[C@H](c4ccco4)Nc4cc(C)cc(C)c4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035963 IJ Annotated Anodyne COC(=O)[C@@H]1[C@H]2[C@@H]3[C@H](c4ccco4)Nc4cc(C)cc(C)c4[C@@H]3N(C(=O)OC(C)(C)C)[C@@H]12 ZINC000206035981 IJ Annotated Anodyne O=C(NCc1ccco1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206039207 IJ Annotated Anodyne COc1ccc(C(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)cc1 ZINC000206039633 IJ Annotated Anodyne Cc1cccc(C(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)c1 ZINC000206039793 IJ Annotated Anodyne O=C(/C=C/c1ccccc1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206040050 IJ Annotated Anodyne O=C(Cc1cccs1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206040153 IJ Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2c(C)cc(C)cc2C)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206041930 IJ Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206043006 IJ Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@@H]1Cc1ccccc1 ZINC000206043033 IJ Annotated Anodyne O=C(NCc1ccccc1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206045184 IJ Annotated Anodyne O=C(NCc1ccccc1)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@@H]1Cc1ccccc1 ZINC000206045204 IJ Annotated Anodyne CCOC(=O)[C@H](Nc1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1c(C)cccc1C ZINC000206052452 IJ Annotated Anodyne CCOC(=O)[C@@H](Nc1ccccc1NC(=O)OC(C)(C)C)C(=O)Nc1c(C)cccc1C ZINC000206052480 IJ Annotated Anodyne CC(C)(Oc1ccc(Cl)cc1)C(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000206057402 IJ Annotated Anodyne CC(C)(Oc1ccc(Cl)cc1)C(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000206057422 IJ Annotated Anodyne CC(C)(Oc1ccc(Cl)cc1)C(=O)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000206057440 IJ Annotated Anodyne CC(C)(Oc1ccc(Cl)cc1)C(=O)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000206057464 IJ Annotated Anodyne C[C@@H]1CN=C(c2cc(Cl)c(N)c(Cl)c2)c2c3ccc(C(F)(F)F)cc3[n+]([O-])n21 ZINC000206060943 IJ Annotated Anodyne C[C@H]1CN=C(c2cc(Cl)c(N)c(Cl)c2)c2c3ccc(C(F)(F)F)cc3[n+]([O-])n21 ZINC000206060960 IJ Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccc(C(F)(F)F)cc3)nccc2c1 ZINC000206093400 IJ Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(Oc3ccc(Cl)c(Cl)c3)nccc2c1 ZINC000206110702 IJ Annotated Anodyne O=C1N=C(N(c2ccccc2)c2ccccc2)S/C1=C/c1ccc(N2CCNCC2)cc1 ZINC000206111288 IJ Annotated Clean C[C@@H]1[C@@H](CC(=O)O)c2cc(OCc3cccnc3)ccc2N1C(=O)c1ccc(Cl)cc1 ZINC000206125471 IJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3Cl)nccc2c1 ZINC000206142953 IJ Annotated Anodyne COc1cc(C2CC2)ccc1-c1cccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000206165241 IJ Annotated Anodyne CC(C)CC(C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O ZINC000206301571 IJ Annotated Mild COc1ccc(Br)cc1/C=C\C(=O)Nc1cccc(C2CCN(C)CC2)c1 ZINC000206763781 IJ Annotated Anodyne COc1ccc(Br)cc1/C=C\C(=O)Nc1cccc([C@H]2CCCN(C)C2)c1 ZINC000206763851 IJ Annotated Anodyne COc1ccc(Br)cc1/C=C\C(=O)Nc1ccc(C2CCN(C)CC2)cc1 ZINC000206763924 IJ Annotated Anodyne COc1ccc(Br)cc1/C=C\C(=O)Nc1ccc([C@H]2CCCN(C)C2)cc1 ZINC000206763996 IJ Annotated Anodyne CCOc1ccc(Br)cc1/C=C\C(=O)Nc1ccc2c(c1)CN(C)CCC2 ZINC000206764295 IJ Annotated Anodyne CCOc1ccc(Br)cc1/C=C\C(=O)Nc1ccc2c(c1)CCCN(C)C2 ZINC000206764526 IJ Annotated Anodyne Cc1cnc(N)c(/C=C\c2cncc(C(=O)NCCc3ccc(Cl)cc3Cl)c2)c1 ZINC000206769134 IJ Annotated Anodyne Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1CNCCCO ZINC000206802101 IJ Annotated Mild OC[C@@H](Nc1nc([C@H](Oc2ccccc2)c2ccccc2)nc2[nH]ncc12)c1ccccc1 ZINC000206816277 IJ Annotated Anodyne OC[C@@H](Nc1nc([C@@H](Oc2ccccc2)c2ccccc2)nc2[nH]ncc12)c1ccccc1 ZINC000206816322 IJ Annotated Anodyne CC[C@@H]1C(=O)C[C@H]2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)[C@H]3CCC[C@@H]1[C@@H]32 ZINC000206954939 IJ Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000207006764 IJ Annotated Anodyne CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4[C@]23c2ccc(Cl)cc2)cc1 ZINC000207124853 IJ Annotated Anodyne CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4[C@@]23c2ccc(Cl)cc2)cc1 ZINC000207124895 IJ Annotated Anodyne CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(Cl)nc1 ZINC000207221557 IJ Annotated Anodyne O=C(/C=C\c1ccc(OC(F)(F)F)c(OC(F)(F)F)c1)n1cnc(=O)c2ccccc21 ZINC000207264358 IJ Annotated Anodyne N#Cc1ccc(OCc2ccc3nonc3c2)cc1O[C@H](CCC(=O)O)c1ccccc1 ZINC000207471383 IJ Annotated Mild N#Cc1ccc(OCc2ccc3nonc3c2)cc1O[C@@H](CCC(=O)O)c1ccccc1 ZINC000207471423 IJ Annotated Mild Cc1cc(Br)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)n2ncnc2n1 ZINC000207607891 IJ Annotated Mild Cc1cc(Br)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)nc2ncnn12 ZINC000207617902 IJ Annotated Mild CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1csc2ccccc12 ZINC000207739613 IJ Annotated Anodyne C[C@](Cc1c(F)cccc1F)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000208055474 IJ Annotated Anodyne CCN(Cc1cc(C(F)(F)F)ccc1-c1cn(CC(=O)O)c2ccncc12)C(=O)C1CC1 ZINC000208542362 IJ Annotated Anodyne O[C@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Br)cc1 ZINC000209582215 IJ Annotated Anodyne O[C@@H](CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Br)cc1 ZINC000209582249 IJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000209742270 IJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000209742303 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)-n1nncc1Cn1c-2nc(-c2ccccc2)c1-c1ccccc1 ZINC000209983376 IJ Annotated Anodyne COc1ccc(-c2nc3n(c2-c2ccc(OC)cc2)Cc2cnnn2-c2ccccc2-3)cc1 ZINC000209983516 IJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)O[C@@](C)(CCC/C(C)=C\C(=O)CC(C)C)[C@H]2C)c(O)c1 ZINC000210426774 IJ Annotated Mild CN(C)c1cccc(C(=O)N2CC[C@@H]3CC(=O)[C@@H](Cc4ccccc4)[C@@H]4CCC[C@H]2[C@@H]34)c1 ZINC000211061793 IJ Annotated Anodyne COc1ccc(C[C@@H]2C(=O)C[C@H]3CCN(C(=O)Cc4ccsc4)[C@H]4CCC[C@@H]2[C@@H]43)cc1 ZINC000211062735 IJ Annotated Anodyne COc1cc([C@@H]2c3c(O)c(C)cc4c3C3=C(C(=O)C(C)(C)C3=CC4=O)[C@H]2C)cc(OC)c1O ZINC000211235949 IJ Annotated Mild Cc1c(Br)c(O)c2c(c1Br)[C@H]1[C@@H](C(C)C)CC[C@@]1(C)[C@H](O)C2=O ZINC000211330148 IJ Annotated Anodyne COC(=O)C[C@]1(C)CC[C@H](C(C)C)[C@@H]1c1cc(C)c(Br)c(O)c1C(=O)O ZINC000211330317 IJ Annotated Anodyne CC(C)[Si](O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5)(C(C)C)C(C)C ZINC000211517362 IJ Annotated Reactive CC1(C)C=Cc2c(ccc3c(=O)c(-c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)coc23)O1 ZINC000211567298 IJ Annotated Mild CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000212033160 IJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccc(C)c2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000214570314 IJ Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccc(C)c2)N(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000214570369 IJ Annotated Anodyne Cc1cc(C)n(/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c(=O)c1C#N ZINC000021920270 IJ Annotated Mild O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@H]3c3ccccc3)cccc2c1 ZINC000215496174 IJ Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(N3CCC[C@@H]3c3ccccc3)cccc2c1 ZINC000215496223 IJ Annotated Anodyne COc1cc(Cl)ccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215503005 IJ Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(N3CCC[C@H]3c3ccccc3)nccc2c1 ZINC000215504847 IJ Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(N3CCC[C@@H]3c3ccccc3)nccc2c1 ZINC000215504891 IJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3cocn3)ccc12 ZINC000215518077 IJ Annotated Anodyne CC1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CCC(F)(F)CC1 ZINC000216240996 IJ Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(Oc3cc(N)nc(Cc4ccccc4)n3)c2F)cn1 ZINC000216875569 IJ Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccccc4OC)ccc3C)cnc2[nH]1 ZINC000217119720 IJ Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cccc(C)c4)ccc3C)cnc2[nH]1 ZINC000217125769 IJ Annotated Anodyne O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1)c1cccc(Cl)c1Cl ZINC000217375958 IJ Annotated Anodyne O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)C1CCOCC1)c1cccc(Cl)c1Cl ZINC000217376027 IJ Annotated Anodyne O=C(NC[C@@H](c1ccncc1)c1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000217378232 IJ Annotated Anodyne O=C(NC[C@H](c1ccncc1)c1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl ZINC000217378313 IJ Annotated Anodyne O=C(NC[C@@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1)c1cccc(F)c1Cl ZINC000217379401 IJ Annotated Anodyne O=C(NC[C@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1)c1cccc(F)c1Cl ZINC000217379480 IJ Annotated Anodyne O=C(NC[C@@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1)c1c(F)cccc1Cl ZINC000217379593 IJ Annotated Anodyne O=C(NC[C@H](c1ccc(F)cc1)c1cnc(C(F)(F)F)nc1)c1c(F)cccc1Cl ZINC000217379673 IJ Annotated Anodyne Cc1ccc(-c2ncco2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1 ZINC000218427083 IJ Annotated Anodyne Cc1cc(-c2cnc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)nc2)ccc1F ZINC000218482128 IJ Annotated Anodyne COc1ccccc1OCC(=O)N1CCN(C(c2ccc(C)cc2)c2ccc(C)cc2)CC1 ZINC000218491406 IJ Annotated Anodyne Cc1cccc(C(=O)N2C[C@H]3C[C@@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c1-c1ncco1 ZINC000218549341 IJ Annotated Anodyne CC1(COc2cc(F)c(C(=O)NS(=O)(=O)C3CC3)cc2C2CC2)CCC2(CC1)CC2 ZINC000218555972 IJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccon3)ccc12 ZINC000218619663 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N1CC[C@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C ZINC000218978420 IJ Annotated Anodyne COC(=O)NCc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 ZINC000218995007 IJ Annotated Anodyne CC(=O)NCc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 ZINC000218999128 IJ Annotated Anodyne COc1cccc2c(NCc3ccccc3)nc(-n3c(NC(C)=O)nc4ccccc43)nc12 ZINC000219015359 IJ Annotated Anodyne NC(=O)c1ccc(Cl)c(-c2ccc3c(c2)OCCN3C(=O)c2c(F)cccc2Cl)c1 ZINC000219102766 IJ Annotated Anodyne CC1(C)Cc2c(C#N)c(SCCc3cccc(Cl)c3)nc(N3CCOCC3)c2CO1 ZINC000219360126 IJ Annotated Mild CC1(C)Cc2c(C#N)c(SCCc3coc4ccccc34)nc(N3CCOCC3)c2CO1 ZINC000219360528 IJ Annotated Mild CC1(C)Cc2c(C#N)c(SCCc3ccccc3)nc(N3CCSCC3)c2CO1 ZINC000219503387 IJ Annotated Mild COc1ccc([C@@H]2C[C@@H](c3cc(-c4cncnc4)c(F)cc3F)N=C(N)S2)cc1OC ZINC000219675631 IJ Annotated Anodyne Cc1cc(F)ccc1-c1cnc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)nc1 ZINC000219761818 IJ Annotated Anodyne O=C(O)c1ccc(-n2cc(CSc3ncncc3-c3cccc4ccccc34)nn2)cc1 ZINC000219766634 IJ Annotated Anodyne O=C(NCc1ccc(F)cc1)Nc1cc2[nH]nc(-c3ccc(OC(F)(F)F)cc3)c2cn1 ZINC000219772500 IJ Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O ZINC000219951246 IJ Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O ZINC000219956485 IJ Annotated Anodyne in-vitro O=C1C[C@]2(CC[C@@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)C2)C(=O)c2ccccc2N1 ZINC000022347372 IJ Annotated Anodyne O=C1C[C@@]2(CC[C@@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)C2)C(=O)c2ccccc2N1 ZINC000022347377 IJ Annotated Anodyne C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2sc(C)cc2c1=O ZINC000022364147 IJ Annotated Anodyne Clc1ccc(NCC2CCOCC2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12 ZINC000220124220 IJ Annotated Anodyne O=C(Nc1ccc(Cl)c(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1)c1ccccc1 ZINC000220143734 IJ Annotated Anodyne Clc1ccc(NC[C@@H]2CCCOC2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12 ZINC000220144223 IJ Annotated Anodyne Clc1ccc(NC[C@H]2CCCOC2)nc1-c1ccnc2[nH]c(C3CCNCC3)cc12 ZINC000220144302 IJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cc(F)cc(F)c1Cl ZINC000220176837 IJ Annotated Mild Clc1cnc2[nH]c([C@@H]3CCCNC3)cc2c1-c1cccc(NCC2CCOCC2)n1 ZINC000220184762 IJ Annotated Anodyne Clc1cnc2[nH]c([C@H]3CCCNC3)cc2c1-c1cccc(NCC2CCOCC2)n1 ZINC000220184829 IJ Annotated Anodyne Cc1c2c(nn1C(C)C)C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000220201593 IJ Annotated Anodyne Cc1c2c(nn1C(C)C)C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 ZINC000220201665 IJ Annotated Anodyne Cc1nn(C(C)C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000220201752 IJ Annotated Anodyne Cc1nn(C(C)C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000220201813 IJ Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000220242795 IJ Annotated Anodyne CN1CCC(c2cc3c(-c4nc(NCC5CCOCC5)ccc4Cl)ccnc3[nH]2)CC1 ZINC000220250018 IJ Annotated Anodyne CCc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000220262702 IJ Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000220301236 IJ Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4CC4)c(C)c3[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000220301323 IJ Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4CC4)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000220301389 IJ Annotated Anodyne O=C(O)[C@H]1CC=C(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 ZINC000220306401 IJ Annotated Anodyne O=C(O)[C@@H]1CC=C(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 ZINC000220306465 IJ Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnn(C)c3c1)C2=O ZINC000220339646 IJ Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnn(C)c3c1)C2=O ZINC000220339717 IJ Annotated Anodyne Fc1cncc(CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1 ZINC000220427960 IJ Annotated Anodyne NC1=N[C@](CF)(c2cc(Nc3nccc4cc(Cl)cnc34)ccc2Cl)[C@H]2C[C@H]2O1 ZINC000220653537 IJ Annotated Anodyne NC1=N[C@@](c2cc(NCC3(c4ccc(Cl)cc4)CC3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000220654247 IJ Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)OC3(CCOCC3)[C@H]2c2ccccc2)n1)c1ccccc1 ZINC000220735777 IJ Annotated Anodyne Cc1ccc([C@H](C)NC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12 ZINC000220969425 IJ Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1 ZINC000221045947 IJ Annotated Anodyne C[C@H](Nc1nc(Cl)cc(N2C(=O)OCC2(C)C)n1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000221132851 IJ Annotated Anodyne Cc1noc(C)c1[C@@H]1C[C@@](C)(c2cc(-c3cccnc3C#N)c(F)cc2F)N=C(N)S1 ZINC000221391834 IJ Annotated Mild CN1CCN(CCCN2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)CC1 ZINC000221608951 IJ Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@H]2[C@@H]1C(=O)[C@H]1C[C@@H](Br)C3(OCCO3)[C@H]12 ZINC000221740088 IJ Annotated Reactive Brc1cccc([C@H]2C[C@@H](c3ccccc3Br)N3NN=NC3=N2)c1 ZINC000221961691 IJ Annotated Anodyne Brc1cccc([C@H]2C[C@H](c3ccccc3Br)N3NN=NC3=N2)c1 ZINC000221961748 IJ Annotated Anodyne Brc1cccc([C@@H]2C[C@@H](c3ccccc3Br)N3NN=NC3=N2)c1 ZINC000221961802 IJ Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)OC3(CCOCC3)[C@@H]2c2ccccc2)n1)c1ccccc1 ZINC000222585626 IJ Annotated Anodyne CN1CCC[C@@H]1CCOCC1[C@H]2CN(c3ncnc4scc(-c5ccccc5)c34)C[C@H]12 ZINC000223009598 IJ Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(-c2ccc(O)cc2)c1 ZINC000223382702 IJ Annotated Anodyne Cc1c2cc(-n3ccc(OCc4csc(C(F)(F)F)n4)cc3=O)ccc2nn1C1CC1 ZINC000223420994 IJ Annotated Anodyne COc1ccc(C[C@H](N)COc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)cc1 ZINC000223664773 IJ Annotated Anodyne Cc1ccc(C[C@H](N)CNc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)cc1 ZINC000223665912 IJ Annotated Anodyne COc1ccc(C[C@H](N)CNc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)cc1 ZINC000223665997 IJ Annotated Anodyne Cc1cccc(C[C@H](N)CNc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)c1 ZINC000223666081 IJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccc(F)cc1 ZINC000223666160 IJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1F ZINC000223666248 IJ Annotated Anodyne COc1ccccc1C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 ZINC000223666411 IJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3ccc[nH]3)csc12)Cc1ccccc1 ZINC000223669866 IJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3ccc[nH]3)csc12)Cc1ccccc1 ZINC000223670874 IJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3cc[nH]c3)csc12)Cc1ccccc1 ZINC000223671031 IJ Annotated Anodyne Cc1ccccc1C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 ZINC000223673946 IJ Annotated Anodyne COc1cccc(C[C@H](N)CNc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)c1 ZINC000223674028 IJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2sc3c(c12)CCCC3)Cc1ccccc1 ZINC000223674543 IJ Annotated Anodyne C[C@@H]1CCc2c(sc3nc(-c4ccncc4)nc(NC[C@@H](N)Cc4ccccc4)c23)C1 ZINC000223675344 IJ Annotated Anodyne C[C@H]1CCc2c(sc3nc(-c4ccncc4)nc(NC[C@@H](N)Cc4ccccc4)c23)C1 ZINC000223675400 IJ Annotated Anodyne COc1cnccc1-c1nc(NC[C@@H](N)Cc2ccccc2)c2c3c(sc2n1)CCCC3 ZINC000223675544 IJ Annotated Anodyne COc1cccc(C[C@H](N)COc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)c1 ZINC000223682135 IJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3cccnc3)csc12)Cc1ccccc1 ZINC000223682887 IJ Annotated Anodyne Cc1ccccc1C[C@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 ZINC000223686326 IJ Annotated Anodyne COc1ccc(C[C@@H](N)COc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)cc1 ZINC000223686371 IJ Annotated Anodyne NCCNc1nc(-c2ccncc2)nc2c(-c3ccc(Br)cc3)csc12 ZINC000223687396 IJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3cc[nH]c3)csc12)Cc1ccccc1 ZINC000223687547 IJ Annotated Anodyne CCCC#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223687867 IJ Annotated Mild Cc1cc(-c2csc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)no1 ZINC000223688433 IJ Annotated Anodyne Cc1n[nH]c(C)c1-c1nc(NC[C@@H](N)Cc2ccccc2)c2c3c(sc2n1)CCCC3 ZINC000223691572 IJ Annotated Anodyne CC(C)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223694353 IJ Annotated Mild CCCc1nc(-n2nc(Cc3ccccc3F)c3ccccc32)nc2c1C(C)(C)C(=O)N2 ZINC000223808137 IJ Annotated Anodyne CON(C)C(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 ZINC000224242633 IJ Annotated Anodyne Cc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)ccc1S(C)(=O)=O ZINC000224545186 IJ Annotated Anodyne COC(=O)c1ccc2oc(COc3c(C4CCC4)ccc(-c4cnc(N)cn4)c3F)nc2c1 ZINC000224555271 IJ Annotated Anodyne CS(=O)(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)c(Cl)c1 ZINC000224556745 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)C1 ZINC000224564799 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H](COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)C1 ZINC000224564846 IJ Annotated Anodyne CN(C)c1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(C(F)(F)F)n1 ZINC000224571798 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000224572262 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000224572317 IJ Annotated Anodyne NC1(c2ccc(-c3nc4nc(-n5ccccc5=O)ccn4c3-c3ccccc3)cc2)CCC1 ZINC000224707866 IJ Annotated Anodyne Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3nccc(N)n3)cc2F)cn1 ZINC000224710345 IJ Annotated Anodyne Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3-c3cnc(N)nc3)cc2F)cn1 ZINC000224714929 IJ Annotated Anodyne COC(=O)COc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 ZINC000224719293 IJ Annotated Anodyne Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ccnc(N)n3)cc2F)cn1 ZINC000224724183 IJ Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cn3cc(C#N)ccc3n2)c(F)c1 ZINC000224758051 IJ Annotated Mild CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)CCN3)c(F)c1 ZINC000224765659 IJ Annotated Anodyne Nc1cnc(-c2ccc(-c3cc(C(F)(F)F)ccc3-c3cnc(N)nc3)cc2F)cn1 ZINC000224770273 IJ Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cn3c(C#N)cccc3n2)c(F)c1 ZINC000224796949 IJ Annotated Mild CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc3c(c2)CC(=O)N3)c(F)c1 ZINC000224798281 IJ Annotated Anodyne Nc1cc(Oc2cc(C(F)(F)F)ccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1 ZINC000224802560 IJ Annotated Anodyne Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ccnc(N)n3)cc2F)cn1 ZINC000224808491 IJ Annotated Anodyne Nc1ccnc(Oc2cc(C(F)(F)F)ccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1 ZINC000224810831 IJ Annotated Anodyne COCCNCc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 ZINC000224833470 IJ Annotated Anodyne C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C ZINC000022795194 IJ Annotated Mild in-vitro C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@@H]1C ZINC000022795202 IJ Annotated Mild in-vitro Cc1ccc(O)c(N(C)CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022934215 IJ Annotated Anodyne Fc1ccc(C(OCCN2CCN(C/C=C/c3ccco3)CC2)c2ccc(F)cc2)cc1 ZINC000022938598 IJ Annotated Anodyne Oc1ccccc1/C=C/CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022939393 IJ Annotated Anodyne Oc1cccc(/C=C/CN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022939398 IJ Annotated Anodyne CC(C)(C)c1ccc([C@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000022939480 IJ Annotated Anodyne CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000022939483 IJ Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(-c3cc(C(F)(F)F)ccc3F)nccc2c1 ZINC000225042806 IJ Annotated Anodyne COc1cc(C(F)F)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225044217 IJ Annotated Anodyne COc1cc2ccccc2cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225049414 IJ Annotated Anodyne COc1cc(Cl)ccc1-c1ncc(F)c2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225055748 IJ Annotated Anodyne COc1cc(Cl)ccc1-c1ccnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225062673 IJ Annotated Anodyne Cc1c(-c2nccc3cc(S(=O)(=O)Nc4nccs4)ccc23)cnn1-c1ccccc1 ZINC000225067952 IJ Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccn(-c4ccccc4)c3)nccc2c1 ZINC000225076890 IJ Annotated Anodyne Cn1c(-c2cccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)cc2cc(F)ccc21 ZINC000225105277 IJ Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ncco3)ccc12 ZINC000225122855 IJ Annotated Anodyne C[C@@]12CC3CC(COc4cc(F)c(C(=O)NS(C)(=O)=O)cc4Cl)(C1)C[C@](C)(C3)C2 ZINC000225201211 IJ Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(NCc5ccc6c(c5)CNC6)n4)ccnc3[nH]2)CC1 ZINC000226045501 IJ Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1nc(C)cc(C)n1)C2 ZINC000226045857 IJ Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)OC(C)(C)C)CC3)cc12 ZINC000226055766 IJ Annotated Anodyne CCOc1ncc(-c2ccccc2)cc1C(=O)N1[C@H]2CC[C@H]1[C@H](COc1ccccn1)C2 ZINC000226057583 IJ Annotated Anodyne Fc1cncc(CNc2ccc(Cl)c(-c3ccnc4[nH]c([C@@H]5CCCNC5)cc34)n2)c1 ZINC000226093120 IJ Annotated Anodyne Fc1cncc(CNc2ccc(Cl)c(-c3ccnc4[nH]c([C@H]5CCCNC5)cc34)n2)c1 ZINC000226093131 IJ Annotated Anodyne C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000230095569 IJ Annotated Mild in-man C=C1CC[C@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000230095575 IJ Annotated Mild in-man O=C(N[C@@H]1CCC[C@@H]1O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000230466255 IJ Annotated Anodyne N#C[C@]1(S(=O)(=O)c2ccccc2)CC=C(C(=O)OC(c2ccccc2)c2ccccc2)C1 ZINC000230512222 IJ Annotated Mild N#C[C@@]1(S(=O)(=O)c2ccccc2)CC=C(C(=O)OC(c2ccccc2)c2ccccc2)C1 ZINC000230512475 IJ Annotated Mild [C-]#[N+]c1ccc(-c2cnnc3c2ncn3CC)cc1-c1ccc(S(=O)(=O)CC)cc1OC ZINC000230816000 IJ Annotated Anodyne O=C(O)c1cccc(Oc2cccc3nc(-c4cn(-c5ccc(O)c(F)c5)nn4)ccc23)c1 ZINC000230842070 IJ Annotated Anodyne in-vitro COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(NC#N)n([C@H](C)c3ccccn3)c12 ZINC000231363723 IJ Annotated Anodyne C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000023883406 IJ Annotated Anodyne C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000023883408 IJ Annotated Anodyne O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1)c1ccco1 ZINC000023907927 IJ Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1CC(=O)O[C@]1(C)[C@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321 ZINC000238731068 IJ Annotated Anodyne C[C@H]([C@H]1C[C@](C)(C(C)(C)O)O1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3O ZINC000238731840 IJ Annotated Mild C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)/C(C)=C/C)[C@]2(C)[C@H]1C(=O)O ZINC000238731908 IJ Annotated Anodyne C[C@H](NC=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@@H]1N(C)COC[C@@]14C ZINC000238732477 IJ Annotated Anodyne CC/C=C/COc1cc(OC)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC ZINC000238733609 IJ Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1CC(=O)O[C@]1(C)[C@H]2CC[C@@]2(C)[C@@H](c3ccoc3)C[C@H]3O[C@]321 ZINC000238734045 IJ Annotated Anodyne COc1cc2ccc(=O)oc2c(OC)c1OC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C ZINC000238734356 IJ Annotated Anodyne CC(=O)O[C@]1([C@@H]2OC(C(=O)CC(C)C)=C(C)[C@H]3CC[C@H](C)[C@H]32)Oc2cccc(C)c2C1=O ZINC000238734624 IJ Annotated Mild COC(=O)CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CC[C@@H]3CO[C@H](OC)C3)[C@H](C)CC[C@@]12C ZINC000238734727 IJ Annotated Anodyne CCCC(=O)c1c(O)cc(OC)c(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)c1C ZINC000238734886 IJ Annotated Anodyne CC(=O)OC[C@@H](OC(C)=O)[C@@]1(C)CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CCC[C@@]3(C)COC(C)=O)C1 ZINC000238735299 IJ Annotated Anodyne C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000238735587 IJ Annotated Mild O=C1C=CC(=C(c2ccc(O)cc2)c2ccccc2S(=O)(=O)Oc2ccccc2)C=C1 ZINC000238736107 IJ Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@H]1C(=O)O ZINC000238736990 IJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@H]2O[C@]23Cc2occ(C)c2[C@@H](OC(=O)/C(C)=C/C)[C@]3(C)[C@@H]1C ZINC000238737086 IJ Annotated Anodyne C/C=C(\C)C(=O)[C@H](O)c1ccc(-c2ccc(C#C[C@@H](CO)C(=O)CC(C)C)s2)s1 ZINC000238737253 IJ Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1C=C(C(=O)O)[C@]2(C)CC[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]2C1 ZINC000238737815 IJ Annotated Anodyne C[C@H]1C/C=C\[C@H](Br)[C@@H]2C[C@@H](Cl)[C@@H](C[C@H](C=C=CBr)O1)O2 ZINC000238738062 IJ Annotated Reactive C/C=C(/C)C(=O)O[C@H]1/C=C(\C)CC/C=C(\C)C[C@H]2OC(=O)[C@](C)(OC(=O)/C(C)=C\C)[C@H]12 ZINC000238738674 IJ Annotated Anodyne COC(=O)CCC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CC[C@@H](C)C(=O)OC)[C@H]1CCC=C2C ZINC000238739030 IJ Annotated Anodyne COC(=O)C[C@H](C)CC[C@@]1(C)[C@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(C)C(C)=CCC[C@H]12 ZINC000238739552 IJ Annotated Anodyne C=C[C@]1(C)C=C2[C@H](OC(C)=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)COC(=O)CC(=O)OC)[C@H]2CC1 ZINC000238739877 IJ Annotated Mild C/C=C(/C)C(=O)OC/C=C(/C)C(=O)O[C@@H]1CCC2=C(O)C(=O)C(=C(C)C)C[C@]2(C)[C@H]1C ZINC000238740502 IJ Annotated Mild COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(/C)CCCC(C)(C)O ZINC000238740602 IJ Annotated Bother CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@]3(C)OC(=O)C(OC(C)=O)=C3C2=CO1 ZINC000238740801 IJ Annotated Mild C=C1[C@H]2CC[C@@]3(C)[C@@H]2C(C)=C(CC[C@@H](C)CC[C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O ZINC000238741202 IJ Annotated Mild CCc1oc(=O)c(Cc2c(O)c(C(=O)[C@H](C)CC)c(O)c3c2OC(C)(C)C=C3)c(O)c1C ZINC000238741894 IJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C=C(C(=O)OC)[C@H](CCC2=CCOC2=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000238742810 IJ Annotated Anodyne C=C1[C@H](OC(=O)[C@@]2(C)O[C@H]2C)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@H]1C3 ZINC000238742956 IJ Annotated Mild CC1=C2CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)[C@@H](O)[C@]5(C)CC[C@]34C)[C@H]2C[C@H](O)C1=O ZINC000238743019 IJ Annotated Mild CC(=O)OCC1=C[C@H]2CC[C@@H]3[C@](C)(COC(=O)CC(=O)O)CCC[C@@]3(C)[C@]23CC[C@H]1C3 ZINC000238743530 IJ Annotated Anodyne CCCCCc1cc(O)c(OC(=O)c2c(CCC)cc(O)cc2OC)c(O)c1C(C)=O ZINC000238743839 IJ Annotated Anodyne CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2cc(O)c(O)c3c2[C@H](C4)C(C)(C)O3)O1 ZINC000238744286 IJ Annotated Clean CNCCc1ccc2c(c1)O[C@]1(C)C[C@@H]3c4cc(CCNC)ccc4OC(C)(C)[C@@H]3[C@H]2C1 ZINC000238744675 IJ Annotated Anodyne CO[C@H]1C[C@@H](CC[C@@]2(C)[C@H](C)CC[C@@]3(COC(C)=O)C(COC(C)=O)=CCC[C@@H]32)CO1 ZINC000238746173 IJ Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(=O)[C@H](C)CC)c2O)c(O)c1C ZINC000238746764 IJ Annotated Anodyne CCCC(=O)c1c(C)c(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)c(OC)c(C)c1O ZINC000238746820 IJ Annotated Anodyne COC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C=C2[C@@H]1CC[C@@H](C)[C@]2(C)CC[C@@H](C)CCOC(C)=O ZINC000238747042 IJ Annotated Anodyne COC(=O)C[C@H](c1ccccc1)c1c2c(c(O)c3c1O[C@H](C)[C@@H](C)C3=O)C=CC(C)(C)O2 ZINC000238747265 IJ Annotated Anodyne C=C(C=O)[C@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)C[C@@H](C)CC)CC[C@@H]2C(=O)O ZINC000238747329 IJ Annotated Reactive C=C1CCC[C@H](C)[C@H](OC(C)=O)CC2=C(C)[C@@H]3[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000238747554 IJ Annotated Mild CC[C@@H](C)C(=O)O[C@H]1C=C(C(=O)OC)[C@H](CCC2=CCOC2=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000238747592 IJ Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000238747660 IJ Annotated Anodyne C=C1CC[C@H](OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)[C@H](OC)[C@H]1[C@]1(C)O[C@@H]1CC=C(C)C ZINC000238747937 IJ Annotated Mild CC1(C)[C@H]2c3c(cc(O)c([C@H]4CC(=O)c5c(O)cc(O)cc5O4)c3O)O[C@@]3(C)CC[C@@H]1[C@@H]23 ZINC000238748403 IJ Annotated Anodyne COC(=O)C[C@H]1c2c(ccc(OC)c2OC)-c2ccc3cc(OC)c(OC)cc3c2N1C ZINC000238748410 IJ Annotated Anodyne COC(=O)[C@H](CCOC(C)=O)CCC1=C(C)[C@H](OC(C)=O)C[C@H]2C(C)(C)CCC[C@]12C ZINC000238749026 IJ Annotated Anodyne CC(C)CCC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C[C@@H](C(C)(C)O)O2 ZINC000238749614 IJ Annotated Anodyne C=CCc1cc(OC)c(OC)cc1O[C@H](C)[C@H](OC(C)=O)c1ccc(OC)c(OC)c1 ZINC000238749720 IJ Annotated Mild CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(C)c(C(=O)CCC)c(O)c(C)c2O)C1=O ZINC000238750106 IJ Annotated Mild CC(C)=CC(=O)O/C=C/[C@@H]1[C@]2(C)CC=C3CO[C@@H]4C[C@](C)(OOC(C)(C)/C=C/C2)O[C@@]341 ZINC000238750136 IJ Annotated Reactive CO[C@]1(C(C)C)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)COC(=O)CCC(=O)O)[C@H]2CC1 ZINC000238750307 IJ Annotated Mild C[C@H]1/C=C/C[C@H](Br)[C@H]2C[C@@H](Cl)[C@@H](C[C@@H](C=C=CBr)O1)O2 ZINC000238750885 IJ Annotated Reactive COc1cc2ccc(=O)oc2c(OC)c1OC[C@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]21C ZINC000238751864 IJ Annotated Anodyne CC(=O)O[C@H]1C=C(C)[C@H](COc2ccc3ccc(=O)oc3c2)[C@@]2(C)CCC(=O)C(C)(C)[C@H]12 ZINC000238752576 IJ Annotated Anodyne COc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC2=O ZINC000238755509 IJ Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](O)C[C@@]1(O)C(C)(C)[C@@H](OC(=O)c3ccccc3)CC[C@]21C ZINC000238755815 IJ Annotated Anodyne C=C1[C@@H]2[C@H]3CC[C@]2(C)[C@@H](OC(=O)CC)C[C@H]1C[C@@H](O)/C(C)=C/C[C@H](OC(=O)CC)[C@H]3C ZINC000238756234 IJ Annotated Mild COc1cc([C@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H](C)[C@H]2C)cc(OC)c1OC ZINC000238756493 IJ Annotated Anodyne C=C1OC(C)(C)[C@H](Br)C[C@]1(O)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 ZINC000238756620 IJ Annotated Reactive COc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1C/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000238756978 IJ Annotated Anodyne C=C1[C@H]2CC[C@@]3([C@@H](OC(=O)C=C(C)C)C[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]3C2)[C@@H]1O ZINC000238757256 IJ Annotated Mild CC1(C)C[C@H]2[C@@H](C1)C(=O)C=C(c1ccc3c(c1)C(=O)[C@@H]1CC(C)(C)C[C@@H]1[C@@]3(C)O)[C@]2(C)O ZINC000238757417 IJ Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@H](C3)[C@@]12CO2 ZINC000238757443 IJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@]2(OC(=O)/C(C)=C\C)C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238757493 IJ Annotated Anodyne COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@@H]1C[C@@H]2N2CCCC[C@@H]2C1 ZINC000238757829 IJ Annotated Anodyne C=C1[C@H](OC(=O)/C(C)=C\C)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238759395 IJ Annotated Mild COc1ccc2c(c1OC)-c1cc(ccc1O)/C=C\C(=O)O[C@H]1C[C@@H]2N2CCCC[C@@H]2C1 ZINC000238759970 IJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2C[C@H](OC(=O)/C(C)=C/C)[C@@H](C)[C@@]13C ZINC000238761765 IJ Annotated Anodyne COC(=O)CCC(=O)OC[C@@H]1CC[C@@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CC[C@@H](C)C(=O)OC ZINC000238762606 IJ Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)C[C@]3(CC[C@H]2[C@]2(C)CCCC(C)(C)[C@@H]12)O[C@H]1[C@@H](C)C(=O)C[C@@H]3[C@H]1O ZINC000238763302 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)/C=C/c1ccc(O)c-2c1 ZINC000238763406 IJ Annotated Anodyne COc1ccc2c(c1OC)-c1cc(ccc1O)/C=C\C(=O)O[C@@H]1C[C@@H]2N2CCCC[C@@H]2C1 ZINC000238763458 IJ Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1C[C@@H](O)[C@@]1(C)[C@@H]3C(=O)C[C@@H](c4ccoc4)[C@]3(C)CC[C@H]21 ZINC000238763768 IJ Annotated Anodyne C/C=C(/C)C(=O)OC/C(C)=C\C(=O)O[C@@H]1CCC2=C(O)C(=O)C(=C(C)C)C[C@]2(C)[C@H]1C ZINC000238766226 IJ Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)[C@@H](OC(=O)C=C(C)C)c3occ(C)c3C[C@]2(C)[C@H]1C ZINC000238766491 IJ Annotated Anodyne COC(=O)C[C@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@]12C ZINC000238766779 IJ Annotated Anodyne CC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC=C2OC(=O)CC(=O)O ZINC000238766858 IJ Annotated Anodyne COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)cn1CC(=O)c1ccc(O)cc1 ZINC000238766978 IJ Annotated Anodyne CC[C@@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@H](c1ccc(O)cc1)[C@@H](O)C3=O ZINC000238766996 IJ Annotated Anodyne COc1cc2ccc(=O)oc2c(OC)c1OC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000238767225 IJ Annotated Anodyne C=C1CCC[C@H]2[C@]1(C)CCC(=O)[C@]2(C)CC[C@@]1(C)CCn2cnc3ncnc(c32)N1OC ZINC000238767401 IJ Annotated Mild CC(C)=CC(=O)[C@H](O)c1ccc(-c2ccc(C#C[C@@H](CO)C(=O)CC(C)C)s2)s1 ZINC000238767780 IJ Annotated Mild C=C1[C@H](OC(=O)C=C(C)C)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238768184 IJ Annotated Mild C=C[C@]1(C)CC[C@@H]2[C@@](C)(O[C@H]3C[C@H](OC(=O)/C(C)=C\C)C(C)(C)[C@@H](CC(=O)O)[C@]32C)O1 ZINC000238768627 IJ Annotated Mild CC(=O)O[C@@]1([C@@H]2OC(C(=O)CC(C)C)=C(C)[C@H]3CC[C@H](C)[C@H]32)Oc2cccc(C)c2C1=O ZINC000238768933 IJ Annotated Mild C=C[C@@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@@]2(O)[C@]1(N=C)[C@H]1O[C@H]1C5(C)C ZINC000238769103 IJ Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1CC[C@H]2Cc3occ(C)c3[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@@H]1C(=O)O ZINC000238769223 IJ Annotated Anodyne C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)[C@H](OC(=O)/C(C)=C\C)CC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238769570 IJ Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@H](O)[C@]3(C)CC[C@]12C3 ZINC000238770144 IJ Annotated Anodyne COC(=O)CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CC[C@@H]3CO[C@@H](OC)C3)[C@H](C)CC[C@@]12C ZINC000238770145 IJ Annotated Anodyne C=C(CC[C@@]1(C)[C@H](C)CC[C@@]2(COC(=O)CCC(=O)OC)C(C)=CCC[C@@H]21)C(=O)OC ZINC000238770348 IJ Annotated Mild CC[C@@H](C)/C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@@H](CC(=O)C[C@H](C)O)C2=CO1 ZINC000238770397 IJ Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@H]1C=O ZINC000238770655 IJ Annotated Mild C/C=C(/C)C(=O)O[C@H](C[C@]12[C@@H](O)O[C@H](C[C@H]1C)[C@@]1(C)[C@@H]2CC[C@H]2O[C@]21C)c1ccoc1 ZINC000238771027 IJ Annotated Anodyne C=C[C@]1(C)CC[C@@H]2[C@@](C)(O[C@@H]3C[C@H](OC(=O)/C(C)=C\C)C(C)(C)[C@@H](CC(=O)O)[C@]23C)O1 ZINC000238771078 IJ Annotated Mild COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CCC(C)(C)OC)CCC(C)(C)O4 ZINC000238771544 IJ Annotated Bother CC(=O)O[C@@H]1C=C(C)[C@H](CBr)O[C@@]2(C)CC[C@H](Br)C(C)(C)[C@@H]12 ZINC000238771825 IJ Annotated Reactive C=C(C)[C@@H]1CC2=C(Oc3c4c(cc(O)c3[C@H]2O)OC(C)(C)C=C4)c2c(O)cc(O)c(O)c21 ZINC000238772407 IJ Annotated Mild CC/C=C/C(=O)O[C@H]1[C@@H](OC(=O)CCCC)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000238773443 IJ Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C=C(C(=O)O)[C@H](CCC2=CCOC2=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000238774063 IJ Annotated Anodyne CC1=C2C(=CO[C@H](C)[C@H]2C)C(O)=C(C(C)C2=C(O)C3=CO[C@H](C)[C@@H](C)C3=C(C)C2=O)C1=O ZINC000238774307 IJ Annotated Mild C=C1C[C@H](OC(C)=O)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@@H](O)C[C@@]2(C)O[C@@H]2C=C(C)C(=O)C[C@H]12 ZINC000238774364 IJ Annotated Mild C/C=C(/C)C(=O)O[C@H](C[C@]12[C@H]3CC[C@H]4O[C@@]4(C)[C@@]3(C)[C@H](C[C@H]1C)O[C@H]2O)c1ccoc1 ZINC000238774452 IJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)CC(C)C)[C@]2(C)[C@H]1C=O ZINC000238775328 IJ Annotated Mild C=C1[C@H]2C[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]([C@H](C)[C@@H](OC(C)=O)C/C=C(\C)[C@H](OC(C)=O)C2)[C@@H]13 ZINC000238775418 IJ Annotated Mild Cc1c(O)cc2c(c1O)C(=O)[C@@H](c1cc3c(cc1O)O[C@]1(C)CC[C@H]4[C@@H]1[C@@H]3C4(C)C)CO2 ZINC000238775551 IJ Annotated Anodyne C=C1CCC[C@H](C)C[C@H](OC(C)=O)C2=C(C)[C@@H]3[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000238775948 IJ Annotated Mild Cc1ccc2c3c(ccc2c1)C(=O)c1c2c(cc(Cl)c1C3=O)[C@H]1C[C@@](C)(N2)[C@H](O)[C@@H](C)O1 ZINC000238776246 IJ Annotated Clean COc1ccc(CCC(=O)c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)cc2)[C@H](C)C3)cc1 ZINC000238776491 IJ Annotated Anodyne CCCCCCC[C@@H](C/C=C/CNC(=O)CC/C(=C/Cl)C1=C[C@@H](O)CCC1=O)OC ZINC000238777270 IJ Annotated Mild C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C=C/C=C\CC[C@@H](C)CC)CC[C@@H]2C(=O)O ZINC000238777429 IJ Annotated Reactive CC(=O)OC[C@@H](OC(C)=O)[C@@]1(C)CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CCC[C@]3(C)COC(C)=O)C1 ZINC000238777454 IJ Annotated Anodyne C=C1[C@@H](O)[C@H]2Cc3c(c(C)c4oc5ccc(C)c(O)c5c(=O)c4c3C)O[C@@]2(C)OC1(C)C ZINC000238777520 IJ Annotated Mild COc1c([C@H](CC(C)C)OC)ccc(Oc2c(O)cc(C)cc2COC(C)=O)c1C(=O)O ZINC000238777765 IJ Annotated Anodyne C=C1[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238777826 IJ Annotated Mild C=C1[C@H](OC(C)=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@@H]3OC(C)=O ZINC000238779519 IJ Annotated Mild CC(=O)c1c(C)cc2ccc(-c3ccc4c(c3O)[C@@H](O)[C@H](C(C)=O)C(C)=C4)c(O)c2c1O ZINC000238779681 IJ Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C(=O)O)[C@@]12C ZINC000238779840 IJ Annotated Anodyne C[C@@]1(/C=C/Br)O[C@@H]([C@@](C)(Br)CCl)C[C@H]1Br ZINC000238779919 IJ Annotated Reactive Oc1ccc2c(c1)CC[C@H]1[CH][CH][C@H](O)[C@@H]([CH]1)[C@@H]1[CH][C@H]([CH][CH][C@@H]1O)/C=C\c1cccc(c1)O2 ZINC000238780191 IJ Annotated Anodyne Oc1ccc2c(c1)CC[C@H]1[CH][CH][C@H](O)[C@@H]([CH]1)[C@@H]1[CH][C@H]([CH][CH][C@@H]1O)/C=C/c1cccc(c1)O2 ZINC000238780197 IJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)CC(C)C)[C@]2(C)[C@H]1C(=O)O ZINC000238781026 IJ Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)C=C(C)C)[C@]2(C)[C@H]1C(=O)O ZINC000238781027 IJ Annotated Anodyne COC(C)(C)[C@H]1CC[C@]2(C)C[C@@H]1C(=O)[C@@]1(C=C(C)OC1=O)[C@@H]2/C=C/OC(=O)C=C(C)C ZINC000238781490 IJ Annotated Anodyne C=C1[C@H](OC(C)=O)CC[C@H](C)CCC2=C(C)[C@@H]3[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000238782207 IJ Annotated Mild CC(=O)OCC1=C[C@H](C2=C(C)C(=O)C=C3C(C)(C)CCC[C@@]32C)O[C@@H]2C=C(C)C(=O)C[C@H]12 ZINC000238784296 IJ Annotated Mild Cc1cc(-c2c(O)cc(O)cc2C[C@@H](C)O)c2c3c4c(cc(=O)cc-4oc2c1)C[C@H](C)O3 ZINC000238784642 IJ Annotated Bother COc1ccc(CCC(=O)c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)cc2)[C@@H](C)C3)cc1 ZINC000238784914 IJ Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@H]4C[C@@H](O)c5cccc(O)c5[C@@H]4CC[C@]23C)C1 ZINC000238785301 IJ Annotated Anodyne COc1ccc2c(c1O)Oc1ccc(cc1)CCC(=O)O[C@@H]1C[C@@H]2[N+]2([O-])CCCC[C@@H]2C1 ZINC000238786152 IJ Annotated Bother C/C1=C\CC/C(C)=C/C[C@@H](C(C)(C)O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)CC/C(C)=C/CC1 ZINC000238786259 IJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](O)C[C@H]3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@@]23CC[C@H]1C ZINC000238786921 IJ Annotated Mild COc1ccc(CCC(=O)c2c(O)cc(O)c3c2O[C@H](c2ccc(O)cc2)[C@H](C)C3)cc1 ZINC000238787153 IJ Annotated Anodyne Cc1cc(-c2c(O)cc(O)cc2C[C@H](C)O)c2c3c4c(cc(=O)cc-4oc2c1)C[C@H](C)O3 ZINC000238787201 IJ Annotated Bother C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](O)C[C@H]3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@@]23CC[C@H]1C ZINC000238788634 IJ Annotated Mild COc1cc(OC)c([C@H]2[C@H](C)O[C@@H](c3cc(OC)c(OC)cc3OC)[C@H]2C)cc1OC ZINC000238789685 IJ Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(=O)[C@@H](C)CC)c2O)c(O)c1C ZINC000238789824 IJ Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1cccs1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000245227574 IJ Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1cccs1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000245227576 IJ Annotated Anodyne O=c1[nH]c2ccc(N3CC=C(c4ccc(Cl)cc4)CC3)nc2nc1Cc1ccc(F)cc1 ZINC000002500298 IJ Annotated Anodyne O=C(N[C@H](C(=O)O)[C@H]1CCc2ccccc2C1)OCC1c2ccccc2-c2ccccc21 ZINC000002527631 IJ Annotated Anodyne Cc1sc2ncn(/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)c2c1C ZINC000002645633 IJ Annotated Mild Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nc3c([nH]c4ccccc43)c2=O)cc1 ZINC000002720667 IJ Annotated Anodyne CCC(CC)C(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccc(F)cc1 ZINC000002724347 IJ Annotated Anodyne CCC(CC)C(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724348 IJ Annotated Anodyne CC(C)(C)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Br)cc1 ZINC000002908716 IJ Annotated Anodyne CC1CCN(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2Cl)CC1 ZINC000002908752 IJ Annotated Anodyne CC[C@@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1Cl ZINC000002909385 IJ Annotated Anodyne CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1Cl ZINC000002909387 IJ Annotated Anodyne Clc1ccc([C@@H]2C[C@@H](c3ccc(I)cc3)Nc3ncnn32)cc1 ZINC000002916402 IJ Annotated Anodyne Clc1ccc([C@H]2C[C@H](c3ccc(I)cc3)Nc3ncnn32)cc1 ZINC000002916404 IJ Annotated Anodyne Clc1ccc([C@@H]2C[C@H](c3ccc(I)cc3)Nc3ncnn32)cc1 ZINC000002916405 IJ Annotated Anodyne CCOc1ccc(OC(=O)c2sc3ncn(Cc4cccc(F)c4)c(=O)c3c2C)cc1 ZINC000002920012 IJ Annotated Anodyne Cc1c(C(=O)N(C)C2CCCCC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12 ZINC000002931375 IJ Annotated Anodyne COc1ccccc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Cl)ccc2O)N1 ZINC000002934392 IJ Annotated Clean COc1ccccc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Cl)ccc2O)N1 ZINC000002934394 IJ Annotated Clean COc1ccccc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000002934395 IJ Annotated Clean COc1ccccc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000002934397 IJ Annotated Clean CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccc(F)cc3)N2)c1O ZINC000002934407 IJ Annotated Clean CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccc(F)cc3)N2)c1O ZINC000002934409 IJ Annotated Clean CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3ccc(F)cc3)N2)c1O ZINC000002934410 IJ Annotated Clean CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3ccc(F)cc3)N2)c1O ZINC000002934413 IJ Annotated Clean CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccccc3F)N2)c1O ZINC000002935387 IJ Annotated Clean CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@@H](c3ccccc3F)N2)c1O ZINC000002935389 IJ Annotated Clean CCOc1cccc([C@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3ccccc3F)N2)c1O ZINC000002935394 IJ Annotated Clean CCOc1cccc([C@@H]2C=C(c3ccc4c(c3)OCO4)N[C@H](c3ccccc3F)N2)c1O ZINC000002935399 IJ Annotated Clean CN(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)cc1 ZINC000002970112 IJ Annotated Anodyne CN(/C=C/c1oc2ccc(-c3ccccc3)cc2[n+]1CCCS(=O)(=O)O)c1ccccc1 ZINC000002975339 IJ Annotated Clean COc1ccc(C(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@H]4[C@H]2[C@@H]3C)cc1 ZINC000025187577 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@H]4[C@H]2[C@H]3C)cc1 ZINC000025187582 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@H]4[C@@H]2[C@@H]3C)cc1 ZINC000025187586 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@H]4[C@@H]2[C@H]3C)cc1 ZINC000025187591 IJ Annotated Anodyne C[C@@H]1c2nc(NC(=O)NCc3ccccc3)sc2C[C@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000025187935 IJ Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)NCc4ccccc4)nc3[C@@H](C)[C@H]21 ZINC000025187939 IJ Annotated Anodyne C[C@@H]1c2nc(NC(=O)NCc3ccccc3)sc2C[C@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000025187945 IJ Annotated Anodyne C[C@@H]1c2nc(NC(=O)NCc3ccccc3)sc2C[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000025187948 IJ Annotated Anodyne COc1cc([C@@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN32)cc(OC)c1OC ZINC000250277853 IJ Annotated Anodyne COc1cc(OC)c([C@@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN32)cc1OC ZINC000250278866 IJ Annotated Anodyne C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@H]2N(C)C1 ZINC000253634245 IJ Annotated Anodyne C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@@H]2N(C)C1 ZINC000253634246 IJ Annotated Anodyne CC(C)CCC#C[C@H](O)[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 ZINC000253637752 IJ Annotated Mild CC(C)CCC#C[C@@H](O)[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 ZINC000253637757 IJ Annotated Mild CC(C)CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O[C@H]1CCCCO1 ZINC000253642521 IJ Annotated Anodyne CC(C)CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O[C@H]1CCCCO1 ZINC000253642525 IJ Annotated Anodyne NC(=S)NN=C1[C@H]2CCC[C@H]1[C@H](c1ccccc1Cl)N[C@H]2c1ccccc1Cl ZINC000253650609 IJ Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@H]1[C@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl ZINC000253650611 IJ Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@H]1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000253651163 IJ Annotated Mild NC(=S)NN=C1[C@H]2CCC[C@H]1[C@H](c1ccc(Cl)cc1)N[C@H]2c1ccc(Cl)cc1 ZINC000253651170 IJ Annotated Mild CCN(CC)CC(=O)O[C@H]1C[C@@]2(N(C)C)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253656168 IJ Annotated Anodyne CCN(CC)CC(=O)O[C@@H]1C[C@@]2(N(C)C)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253656172 IJ Annotated Anodyne O=[N+]([O-])c1ccc(O[C@H]2[C@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)c(C(F)(F)F)c1 ZINC000253666623 IJ Annotated Bother CCc1cccc([C@@H](C)CC)c1N=c1cc2n(c(=O)n1C)CCc1cc(OC)c(OC)cc1-2 ZINC000253669664 IJ Annotated Anodyne CCc1cccc([C@H](C)CC)c1N=c1cc2n(c(=O)n1C)CCc1cc(OC)c(OC)cc1-2 ZINC000253669668 IJ Annotated Anodyne CC[C@H](C)C(=O)O[C@H]1[C@H](OC(=O)[C@@H](C)CC)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000253683595 IJ Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(=O)[C@H](C)CC ZINC000253683602 IJ Annotated Anodyne C[C@H]1CC[N@@+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N@@+]4(C)CC[C@@H](C)C4)cc3)cc2)C1 ZINC000253685882 IJ Annotated Mild C[C@H]1CC[N@+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N@@+]4(C)CC[C@@H](C)C4)cc3)cc2)C1 ZINC000253685889 IJ Annotated Mild C[C@@H]1CC[N@+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N@@+]4(C)CC[C@@H](C)C4)cc3)cc2)C1 ZINC000253685898 IJ Annotated Mild C[C@@H]1CC[N@+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N@+]4(C)CC[C@@H](C)C4)cc3)cc2)C1 ZINC000253685905 IJ Annotated Mild CC(C)=CC(=O)OCC[C@@]12C[C@@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253691405 IJ Annotated Mild CC(C)=CC(=O)OCC[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 ZINC000253691410 IJ Annotated Mild CC(C)=CC(=O)OCC[C@@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C=O)C[C@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000253691414 IJ Annotated Mild CC(C)=CC(=O)OCC[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 ZINC000253691418 IJ Annotated Mild COc1cc2cc(C(=O)[C@@H]3CCC[N@+](C)(C[C@H]4CCCCO4)CC3)sc2cc1OC ZINC000253694438 IJ Annotated Bother COc1cc2cc(C(=O)[C@@H]3CCC[N@+](C)(C[C@@H]4CCCCO4)CC3)sc2cc1OC ZINC000253694447 IJ Annotated Bother COc1cc2cc(C(=O)[C@@H]3CCC[N@@+](C)(C[C@H]4CCCCO4)CC3)sc2cc1OC ZINC000253694450 IJ Annotated Bother COc1cc2cc(C(=O)[C@@H]3CCC[N@@+](C)(C[C@@H]4CCCCO4)CC3)sc2cc1OC ZINC000253694452 IJ Annotated Bother COc1ccc(C(=O)CCC[C@H]2OO[C@H](CCCC(=O)c3ccc(OC)cc3)OO2)cc1 ZINC000253695265 IJ Annotated Reactive C[C@@H]1CCC[N@+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N@@+]3(C)CCC[C@H]3C)cc2)cc1 ZINC000253712546 IJ Annotated Mild C[C@H]1CCC[N@@+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N@@+]3(C)CCC[C@H]3C)cc2)cc1 ZINC000253712551 IJ Annotated Mild C[C@H]1CCC[N@+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N@@+]3(C)CCC[C@H]3C)cc2)cc1 ZINC000253712558 IJ Annotated Mild C[C@@H]1CCC[N@@+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N@@+]3(C)CCC[C@H]3C)cc2)cc1 ZINC000253712563 IJ 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]4CCCC[C@@H]24)[C@]13C(=O)O ZINC000253738397 IJ 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]4CCCC[C@@H]24)[C@]13C(=O)O ZINC000253738398 IJ Annotated Mild Oc1ccc2ccccc2c1C=NNc1nc(=Nc2ccccc2)[nH]c(=Nc2ccccc2)[nH]1 ZINC000253778633 IJ Annotated Mild COc1cc2c(cc1OC)S[C@H](C(=O)C[C@H]1C=CC[N@+](C)(Cc3ccccc3)CC1)C2 ZINC000253837875 IJ Annotated Bother COc1cc2c(cc1OC)S[C@H](C(=O)C[C@H]1C=CC[N@@+](C)(Cc3ccccc3)CC1)C2 ZINC000253837880 IJ Annotated Bother COc1cc2c(cc1OC)S[C@H](C(=O)C[C@@H]1C=CC[N@@+](C)(Cc3ccccc3)CC1)C2 ZINC000253837885 IJ Annotated Bother COc1cc2c(cc1OC)S[C@H](C(=O)C[C@@H]1C=CC[N@+](C)(Cc3ccccc3)CC1)C2 ZINC000253837887 IJ Annotated Bother C[C@](CO)(CCCC[S@@](=O)CCCC[C@@](C)(CO)c1ccccc1)c1ccccc1 ZINC000253883812 IJ Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccc(Cl)cc2F)CC[C@H]1NC1C2CC3CC(C2)CC1C3 ZINC000253907974 IJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2F)CC[C@H]1NC1C2CC3CC(C2)CC1C3 ZINC000253907978 IJ Annotated Anodyne O=C(N=Nc1c(O)[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000253915809 IJ Annotated Clean aggregator Cc1ccccc1NC(=O)Cn1c(O)c(N=NC(=O)c2ccccc2O)c2ccccc21 ZINC000253961272 IJ Annotated Clean Cc1ccc2[nH]c(O)c(N=NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2c1 ZINC000253977866 IJ Annotated Clean COc1ccc(CN=Nc2cc(C)nc(NS(=O)(=O)c3ccccc3Cl)n2)cc1 ZINC000253982865 IJ Annotated Clean COc1ccccc1NC(=O)Cn1c(O)c(N=NC(=O)c2ccccc2O)c2ccccc21 ZINC000253986954 IJ Annotated Clean Cc1cccc2c(N=NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c(O)[nH]c12 ZINC000253995066 IJ Annotated Clean O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000253995143 IJ Annotated Clean O=C(NC[C@@H]1CC[C@@H](C(=O)O)CC1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1 ZINC000253995395 IJ Annotated Anodyne C=CC[C@@H]1C=C(C(=O)OC)N(C(=O)C(F)(F)F)[C@@H](c2ccccc2Br)[C@H]1C ZINC000254005435 IJ Annotated Mild CCOC(=O)OC[C@@H]1O[C@H](c2ccccc2)C=C[C@H]1Oc1ccc2oc(=O)cc(C)c2c1 ZINC000254010789 IJ Annotated Anodyne O=C1Nc2cccc(Br)c2[C@]12O[C@H](COc1ccccc1)CC1=CCC[C@H]12 ZINC000254014701 IJ Annotated Anodyne O=C1Nc2cccc(Br)c2[C@]12O[C@@H](COc1ccccc1)CC1=CCC[C@H]12 ZINC000254014705 IJ Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4c5ccccc5C[C@H]4[C@@H]3C2=O)cc1 ZINC000254077792 IJ Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4c5ccccc5C[C@@H]4[C@H]3C2=O)cc1 ZINC000254077796 IJ Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4c5ccccc5C[C@H]4[C@H]3C2=O)cc1 ZINC000254077800 IJ Annotated Anodyne CCN(CCCCN1CC[C@H]2CCCC[C@@H]2C1)S(=O)(=O)c1cnc2ccccc2c1 ZINC000254100292 IJ Annotated Anodyne CCN(CCCCN1CC[C@H]2CCCC[C@H]2C1)S(=O)(=O)c1cnc2ccccc2c1 ZINC000254100294 IJ Annotated Anodyne CCN(CCCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1cnc2ccccc2c1 ZINC000254100296 IJ Annotated Anodyne CCN(CCCCN1CC[C@H]2CCCC[C@@H]2C1)S(=O)(=O)c1cccc2cccnc12 ZINC000254100313 IJ Annotated Anodyne CCN(CCCCN1CC[C@H]2CCCC[C@H]2C1)S(=O)(=O)c1cccc2cccnc12 ZINC000254100316 IJ Annotated Anodyne CCN(CCCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1cccc2cccnc12 ZINC000254100318 IJ Annotated Anodyne CCN(CCCCCN1CC[C@H]2CCCC[C@@H]2C1)S(=O)(=O)c1cccc2cccnc12 ZINC000254102365 IJ Annotated Anodyne CCN(CCCCCN1CC[C@H]2CCCC[C@H]2C1)S(=O)(=O)c1cccc2cccnc12 ZINC000254102369 IJ Annotated Anodyne CCN(CCCCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1cccc2cccnc12 ZINC000254102372 IJ Annotated Anodyne C[C@@H]1CCC[C@H](CO[C@H]2CCC[C@H](/C=C3\C(=O)NN(C(=O)[s+]4cccc4)C3=O)C2)C1 ZINC000254120819 IJ Annotated Clean C[C@@H]1CCC[C@H](CO[C@H]2CCC[C@@H](/C=C3\C(=O)NN(C(=O)[s+]4cccc4)C3=O)C2)C1 ZINC000254120823 IJ Annotated Clean CC[C@@H]1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1cc(OC)ccc1OC)N[C@H]2c1cc(OC)ccc1OC ZINC000254124765 IJ Annotated Anodyne C[N@+]12CCCC[C@H]1[C@@H](CN1C(=O)Cc3c4ccccc4c(c4ccccc34)CC1=O)CCC2 ZINC000254127880 IJ Annotated Bother C[N@+]12CCCC[C@@H]1[C@@H](CN1C(=O)Cc3c4ccccc4c(c4ccccc34)CC1=O)CCC2 ZINC000254127882 IJ Annotated Bother C[N@+]12CCCC[C@H]1[C@H](CN1C(=O)Cc3c4ccccc4c(c4ccccc34)CC1=O)CCC2 ZINC000254127884 IJ Annotated Bother C[N@+]12CCCC[C@@H]1[C@H](CN1C(=O)Cc3c4ccccc4c(c4ccccc34)CC1=O)CCC2 ZINC000254127886 IJ Annotated Bother Cc1cccc(Cc2c([C@@H]3CC[C@H](c4ccccc4)CC3)nc(O)n(CCN(C)C)c2=O)c1 ZINC000254132973 IJ Annotated Anodyne Cc1ccc(O[C@@H]2C[C@H](n3cnc4ncnc(Cl)c43)O[C@H]2Oc2ccc(C)cc2)cc1 ZINC000254141588 IJ Annotated Anodyne Cc1ccc(O[C@@H]2C[C@@H](n3cnc4ncnc(Cl)c43)O[C@H]2Oc2ccc(C)cc2)cc1 ZINC000254141591 IJ Annotated Anodyne CC[C@@H]1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1ccc(OC)c(OC)c1)N[C@H]2c1ccc(OC)c(OC)c1 ZINC000254153252 IJ Annotated Anodyne CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(OC)cc1 ZINC000254310086 IJ Annotated Mild Cc1ccc(CSc2nnc(SCC(=O)NN=C/C=C/c3ccco3)s2)cc1 ZINC000254349903 IJ Annotated Reactive aggregator Cc1c(C#N)c(N=CN(C)C)c(C(=O)c2ccccc2)n1-c1ccc(Br)cc1 ZINC000254496821 IJ Annotated Mild COc1ccc2ccccc2c1C=Nn1c(S)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000254567899 IJ Annotated Mild CN(N=Cc1c[nH]c2ccccc12)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl ZINC000254632766 IJ Annotated Mild aggregator Cc1cc2c(cc1C)-c1c(ssc1=Nc1ccc(S(N)(=O)=O)cc1)C(C)(C)N2 ZINC000254797973 IJ Annotated Anodyne Cc1ccc(-c2n[nH]cc2C=Nn2c(COc3ccccc3C)nc3ccccc3c2=O)cc1 ZINC000254815240 IJ Annotated Mild aggregator Cc1cc(C)cc(-n2c(C)cc(C=NNC(=O)COc3cccc4cccnc34)c2C)c1 ZINC000254816570 IJ Annotated Reactive aggregator COc1ccc(CN2C(=O)c3ccccc3[C@@H](C=NOCc3ccc(Cl)cc3)C2=O)cc1 ZINC000254824917 IJ Annotated Mild aggregator COc1ccc(CN2C(=O)c3ccccc3[C@H](C=NOCc3ccc(Cl)cc3)C2=O)cc1 ZINC000254824919 IJ Annotated Mild aggregator Cc1ccc(S(=O)(=O)c2cc3ccccc3oc2=Nc2ccc3c(c2)OCCO3)cc1 ZINC000254877340 IJ Annotated Anodyne aggregator COC(=O)C(C)(C)CCCOc1cc(OCCCC(C)(C)C(=O)OC)cc(C(C)=O)c1 ZINC000025977969 IJ Annotated Anodyne COC(=O)C(C)(C)CCCOc1cccc(OCCCC(C)(C)C(=O)OC)c1C(C)=O ZINC000025979084 IJ Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](C[C@@H]2O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@]3(C)CCC[C@@]1(C)CO ZINC000025989464 IJ Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](C[C@@H]2O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)CO ZINC000025989472 IJ Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](C[C@@H]2O)C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@]3(C)CCC[C@@]1(C)CO ZINC000025989480 IJ Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](C[C@@H]2O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)CO ZINC000025989486 IJ Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@]3(C)CCC[C@@]1(C)CO)C[C@H]2O ZINC000025989934 IJ Annotated Anodyne C[C@]12CC[C@]3(C1)[C@H](C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)CO)C[C@H]2O ZINC000025989942 IJ Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@]3(C)CCC[C@@]1(C)CO)C[C@H]2O ZINC000025989953 IJ Annotated Anodyne C[C@]12CC[C@]3(C1)[C@@H](C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)CO)C[C@H]2O ZINC000025989961 IJ Annotated Anodyne CC(=O)[C@H](C)[C@@H](O)/C=C/C(C)=C/[C@@H]1C(=O)O[C@H](/C(C)=C/C=C/[C@H](C)CC[C@H](C)O)[C@H]1C ZINC000255192331 IJ Annotated Anodyne CC(C)=CC(=O)C[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255196414 IJ Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255196709 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255196710 IJ Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@H]3C=C[C@@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C=O ZINC000255205332 IJ Annotated Anodyne C[C@H]([C@H]1[C@H](O)C[C@@]2(C)[C@H]3C=C[C@@H]4C(C)(C)[C@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C=O ZINC000255205333 IJ Annotated Anodyne C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)(C)O ZINC000255207594 IJ Annotated Anodyne C[C@H]1CC[C@@H]([C@@H](C)[C@H]2CC[C@@H]3C4=CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@H]1O ZINC000255208859 IJ Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C[C@@]3(C[C@@]21C)C(=O)[C@@]1(C)CC[C@H](O)C[C@@]1(O)[C@@H]3C=O ZINC000255209100 IJ Annotated Mild C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255212010 IJ Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)COCN(C)[C@H]5CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255212011 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000255213994 IJ Annotated Mild CC(C)[C@@H](C)[C@H](O)[C@@H]1C[C@]23CC(=O)[C@]4(O)C(=C2CC[C@@H]3[C@@H]1C)C=CC1=CC(=O)CC[C@@]14C ZINC000255214444 IJ Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]13CC[C@@]1(O)[C@@]4(C)CC[C@H](O)C[C@@]4(O)C=C[C@@]21OC3 ZINC000255218065 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]13CC[C@@]1(O)[C@@]4(C)CC[C@H](O)C[C@@]4(O)C=C[C@@]21OC3 ZINC000255218066 IJ Annotated Anodyne C[C@@]12CC[C@@H]3[C@](C)(CC[C@@H](O)[C@]3(C)O)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(O)[C@H](O)CC[C@]13C)C2 ZINC000255219023 IJ Annotated Anodyne C[C@H]1CCC(=O)O[C@H]2C[C@]3(C)[C@H]4[C@H](O)C[C@@H]5C(C)(C)C(=O)C=C[C@]56C[C@]46CC[C@@]3(C)[C@H]12 ZINC000255221818 IJ Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@]1(O)[C@H](O)[C@H]3O ZINC000255222097 IJ Annotated Anodyne CC(C)[C@H](C)[C@H]1O[C@H]1[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255226380 IJ Annotated Anodyne CC(C)C[C@H](O)[C@@H]1O[C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@]1(C)O ZINC000255227520 IJ Annotated Mild CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000255242644 IJ Annotated Mild CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@@]2(O)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@]12O[C@@H]2C3=O ZINC000255251714 IJ Annotated Mild CC(C)[C@@H](C)/C=C\[C@H](C)[C@H]1CC[C@@]2(O)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@]12O[C@@H]2C3=O ZINC000255251718 IJ Annotated Mild CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 ZINC000255254466 IJ Annotated Anodyne COC(=O)[C@@]12C(O)=C(C)C(=O)[C@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@@H]2C(C)(C)C(=O)CC[C@]21C ZINC000255256608 IJ Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@@H]3O ZINC000255258494 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@]2(O)C3=CC(=O)C4=CC(=O)CC[C@]4(C)[C@@]3(O)CC[C@]12C ZINC000255259674 IJ Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)C4=CC(=O)CC[C@]4(C)[C@@]3(O)CC[C@]12C ZINC000255259675 IJ Annotated Mild CC(C)[C@@H]1O[C@H]2C[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@@H](C)CC1=O ZINC000255259701 IJ Annotated Anodyne CC[C@H](O)[C@H]1O[C@@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O)[C@H](C)[C@@H]2CC4)[C@H](C)[C@H]1O ZINC000255262136 IJ Annotated Anodyne C[C@H](C1=NC[C@H](C)CC1=O)[C@H]1CC[C@@]2(C)[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@]12C ZINC000255262958 IJ Annotated Anodyne CCC/C=C/C=C/C[C@@H]1C[C@@H]2C=CC(C)=C[C@@H]3C=C[C@H](O)[C@H](O)[C@H]3C(C)=CC=C[C@H]2C(=O)N1 ZINC000255264148 IJ Annotated Anodyne CCC/C=C/C=C/C[C@@H]1C[C@@H]2C=CC(C)=C[C@@H]3C=C[C@H](O)[C@H](O)[C@H]3C(C)=C/C=C/[C@H]2C(=O)N1 ZINC000255264149 IJ Annotated Anodyne CCC/C=C/C=C\C[C@@H]1C[C@@H]2C=CC(C)=C[C@@H]3C=C[C@H](O)[C@H](O)[C@H]3C(C)=CC=C[C@H]2C(=O)N1 ZINC000255264150 IJ Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1C[C@H](O)[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255269413 IJ Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@@]4(O)CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000255270462 IJ Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](N)CC[C@]5(C)[C@@]4(O)CC[C@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000255270465 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255271494 IJ Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000255272666 IJ Annotated Mild CC(C)CC(=O)C[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255273488 IJ Annotated Anodyne CC(C)CC(=O)C[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255273489 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3[C@H](O)[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255275831 IJ Annotated Anodyne CC(C)C(=O)[C@H]1C[C@@H](C)[C@H]2[C@H](C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O1 ZINC000255275839 IJ Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)C(=O)O ZINC000255276188 IJ Annotated Mild CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255278223 IJ Annotated Mild C=C1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000255280709 IJ Annotated Mild CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@]5(C)CO[C@H](C)N(C)[C@H]5CC[C@@]45C[C@@]35CC[C@]12C ZINC000255284626 IJ Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)C4=CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000255284721 IJ Annotated Mild C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000255284722 IJ Annotated Mild C[C@@H]([C@@H]1CC[C@@H]2[C@H]3[C@H](O)CC4=CC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C)[C@H]1C[C@](C)(O)C(C)(C)O1 ZINC000255284840 IJ Annotated Mild CC(C)[C@@H](C)CC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@]3(O)C=C[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255287666 IJ Annotated Anodyne C[C@@H]1CO[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C(=O)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)C(=O)C1 ZINC000255287845 IJ Annotated Anodyne C[C@H]1[C@H]2[C@@H](C[C@]13CC[C@@H](C)CO3)O[C@H]1[C@@H]3CC[C@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C ZINC000255287912 IJ Annotated Anodyne COCCNc1nc([C@@H]2CCCN(CC(=O)Nc3cccc(C)c3C)C2)cc2ccccc12 ZINC000257235436 IJ Annotated Anodyne COCCNc1nc([C@H]2CCCN(CC(=O)Nc3cccc(C)c3C)C2)cc2ccccc12 ZINC000257235437 IJ Annotated Anodyne Cc1cc(C)cc(C2(C(=O)N3CCOC[C@H](Cc4ccc5ccoc5c4)C3)CCOCC2)c1 ZINC000257279572 IJ Annotated Anodyne Cc1cc(C)cc(C2(C(=O)N3CCOC[C@@H](Cc4ccc5ccoc5c4)C3)CCOCC2)c1 ZINC000257279573 IJ Annotated Anodyne O=C(c1ccccc1Cn1ccnc1)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000257306859 IJ Annotated Anodyne O=C(c1ccccc1Cn1ccnc1)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 ZINC000257306860 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@]1(O)[C@H](O)[C@H]3O ZINC000257460304 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@]1(O)[C@@H](O)[C@H]3O ZINC000257460305 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@]1(O)[C@H](O)[C@@H]3O ZINC000257460306 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@]1(C)CC[C@H](O)C[C@]1(O)[C@@H](O)[C@@H]3O ZINC000257460307 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@]1(C)CC[C@]13O[C@@]21[C@H](O)[C@@H]1O[C@@]12C[C@@H](O)CC[C@@]23C ZINC000257460900 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@H](C)[C@@H]1CC[C@H]2[C@]1(C)CC[C@]13O[C@@]21[C@H](O)[C@@H]1O[C@@]12C[C@@H](O)CC[C@@]23C ZINC000257460901 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2[C@]1(C)CC[C@]13O[C@@]21[C@H](O)[C@@H]1O[C@@]12C[C@@H](O)CC[C@@]23C ZINC000257460902 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@H]2[C@]1(C)CC[C@]13O[C@@]21[C@H](O)[C@@H]1O[C@@]12C[C@@H](O)CC[C@@]23C ZINC000257460903 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@]21C ZINC000257498746 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@]3(O)CC[C@@]21C ZINC000257498747 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000257498748 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]21C ZINC000257498749 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@]2(O)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@]12O[C@@H]2[C@@H]3O ZINC000257510612 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@]2(O)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@]12O[C@@H]2[C@H]3O ZINC000257510613 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@]2(O)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@]12O[C@H]2[C@H]3O ZINC000257510614 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@]2(O)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@]12O[C@H]2[C@@H]3O ZINC000257510615 IJ Annotated Anodyne C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000257521915 IJ Annotated Mild C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000257521916 IJ Annotated Mild C=C1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000257521917 IJ Annotated Mild CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)C[C@@H]2[C@H](C1)[C@H](O)C[C@@H]1[C@H]2C1(C)C ZINC000257560453 IJ Annotated Anodyne CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)C[C@@H]2[C@H](O)C[C@@H]3[C@@H]([C@H]2C1)C3(C)C ZINC000257560454 IJ Annotated Anodyne CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)C[C@@H]2[C@H](O)C[C@@H]3[C@H]([C@H]2C1)C3(C)C ZINC000257560455 IJ Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C ZINC000257561714 IJ Annotated Mild C=C1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@@H]2C ZINC000257561715 IJ Annotated Mild C=C1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@@H]2C ZINC000257561716 IJ Annotated Mild C=C1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C ZINC000257561717 IJ Annotated Mild CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@H]5O[C@H]5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000257592879 IJ Annotated Anodyne CC(C)[C@@H](C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@H]5O[C@H]5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000257592880 IJ Annotated Anodyne CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@H]5O[C@H]5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000257592881 IJ Annotated Anodyne CC(C)[C@H](C)[C@H](O)[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@H]5O[C@H]5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000257592882 IJ Annotated Anodyne C=C1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)C[C@H](O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@@H]2C ZINC000257622245 IJ Annotated Mild C=C1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)C[C@H](O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@@H]2C ZINC000257622246 IJ Annotated Mild C=C1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)C[C@H](O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C ZINC000257622247 IJ Annotated Mild C=C1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)C[C@H](O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C ZINC000257622248 IJ Annotated Mild O=[S@@]1O[C@H](c2ccc(Cl)cc2Cl)[C@@](Cn2cncn2)(c2ccc(Cl)cc2)O1 ZINC000026006596 IJ Annotated Mild O=[S@]1O[C@H](c2ccc(Cl)cc2Cl)[C@@](Cn2cncn2)(c2ccc(Cl)cc2)O1 ZINC000026006602 IJ Annotated Mild O=[S@]1O[C@H](c2ccc(Cl)cc2)[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000026007109 IJ Annotated Mild O=[S@@]1O[C@H](c2ccc(Cl)cc2)[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000026007115 IJ Annotated Mild CSc1cc(-c2ccc(-c3ccc(NC(=N)N)c(SC)c3)o2)ccc1NC(=N)N ZINC000026179915 IJ Annotated Anodyne C=CCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OCc3ccccc3)cc2)c1=O ZINC000026250944 IJ Annotated Mild CCCCOc1ccc(S(=O)(=O)N(Cc2cncn2C)[C@@H](C)C2CCCCC2)cc1 ZINC000026270739 IJ Annotated Anodyne CCCCOc1ccc(S(=O)(=O)N(Cc2cncn2C)[C@H](C)C2CCCCC2)cc1 ZINC000026270745 IJ Annotated Anodyne Clc1ccc(-c2ccc(-c3cc(-n4cnnn4)nn3-c3cccnc3)cc2)c(Cl)c1 ZINC000026288961 IJ Annotated Anodyne Clc1ccc(-c2ccc(-c3cc(-n4cnnn4)nn3-c3ccccn3)cc2)c(Cl)c1 ZINC000026288967 IJ Annotated Anodyne CCCO/N=c1/nc(Cc2c(Cl)cccc2Cl)[nH]c(Nc2ccc(C#N)cc2)n1 ZINC000026293303 IJ Annotated Mild Nc1ccc2c3c(cccc13)C(=O)N(CCCCCCCCCn1ccnc1[N+](=O)[O-])C2=O ZINC000026378692 IJ Annotated Bother CC(C)COC(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 ZINC000026378790 IJ Annotated Anodyne CCCCOC(=O)n1c2cc(C(F)(F)F)ccc2c2oc(C(=O)N3CCOCC3)cc21 ZINC000026381844 IJ Annotated Anodyne C/C=C/[C@@H]1C[C@H](OC(=O)C(C)(C)CC)[C@H]2[C@@H](C=C[C@H](C)[C@@H]2/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)C1 ZINC000026385385 IJ Annotated Anodyne COc1ccc(-c2cn3c(O)c(Cc4ccc(O)cc4)nc3c(Cc3ccccc3)n2)cc1 ZINC000026385571 IJ Annotated Anodyne O=C(Cc1ccccc1Oc1c(Cl)cccc1[N+](=O)[O-])O[C@@H]1OC(=O)c2ccccc21 ZINC000026392167 IJ Annotated Bother O=C(Cc1ccccc1Oc1c(Cl)cccc1[N+](=O)[O-])O[C@H]1OC(=O)c2ccccc21 ZINC000026392171 IJ Annotated Bother CCCCCC(=O)c1ccc(OCc2cccc(NC(=O)CCC(=O)OC)c2)cc1O ZINC000026394387 IJ Annotated Anodyne CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]([C@@H](C)C=O)C(=O)C=C12 ZINC000026470487 IJ Annotated Mild CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]([C@@H](C)C=O)C(=O)C=C12 ZINC000026470494 IJ Annotated Mild CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]([C@@H](C)C=O)C(=O)C=C12 ZINC000026470501 IJ Annotated Mild CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]([C@@H](C)C=O)C(=O)C=C12 ZINC000026470507 IJ Annotated Mild CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]3[C@@H](C)CO[C@]3(O)C[C@H]12 ZINC000026472473 IJ Annotated Anodyne CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]3[C@@H](C)CO[C@]3(O)C[C@H]12 ZINC000026472479 IJ Annotated Anodyne CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]3[C@H](C)CO[C@]3(O)C[C@H]12 ZINC000026472737 IJ Annotated Anodyne CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]3[C@H](C)CO[C@]3(O)C[C@H]12 ZINC000026472745 IJ Annotated Anodyne CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]([C@H](C)C=O)C(=O)C=C12 ZINC000026473603 IJ Annotated Mild CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@@H]([C@H](C)C=O)C(=O)C=C12 ZINC000026473609 IJ Annotated Mild CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]([C@H](C)C=O)C(=O)C=C12 ZINC000026473615 IJ Annotated Mild CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O)[C@@]2(C)C[C@H]([C@H](C)C=O)C(=O)C=C12 ZINC000026473623 IJ Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@H]1OC(=O)O[C@H]1C(C)(C)O2 ZINC000026478026 IJ Annotated Bother COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@H]1OC(=O)O[C@@H]1C(C)(C)O2 ZINC000026478034 IJ Annotated Bother CCCCc1ccnc([C@H](CC2CCCCC2)NC(=O)c2ccc(CN=C(N)N)cc2)c1 ZINC000026478080 IJ Annotated Mild CCCCC1(CCCC)Oc2cccc(N(CCCN)C(=O)c3ccc(CN)cc3)c2O1 ZINC000026486442 IJ Annotated Anodyne CCC[C@]1(CC)C(=O)N(C(=O)N[C@H](CC)c2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000026487479 IJ Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccc(N=[N+]=[N-])cc2)CC1 ZINC000026490064 IJ Annotated Mild NC(=O)c1ccc2c(c1)CCO[C@@H]2CCN1CC=C(c2csc3cc(F)ccc23)CC1 ZINC000026490195 IJ Annotated Anodyne NC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CC=C(c2csc3cc(F)ccc23)CC1 ZINC000026490199 IJ Annotated Anodyne CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(Cl)c(F)cc2-3)CC1 ZINC000026492226 IJ Annotated Anodyne CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 ZINC000026492614 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C(=O)c3c(ccc4ccccc34)[C@H]1N(CCCCl)C2=O ZINC000026498396 IJ Annotated Reactive COc1ccc(C(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@@H]4[C@H](C)C(=O)O[C@@H]4[C@H]2[C@@H]3C)cc1 ZINC000261097598 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]2[C@@H]3C)cc1 ZINC000261097599 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]2[C@H]3C)cc1 ZINC000261097600 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@@H]4[C@H](C)C(=O)O[C@@H]4[C@H]2[C@H]3C)cc1 ZINC000261097603 IJ Annotated Anodyne COc1ccc(NC(=S)Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1 ZINC000261100601 IJ Annotated Anodyne CC1(C)OC(=O)N([C@@H]2CC[C@@H](n3c(=O)[nH]c4c(F)c(C#N)ccc43)CC2)[C@H]1c1ccccc1 ZINC000261102829 IJ Annotated Mild C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)NCc5ccccc5)sc4C[C@@]3(C)CC[C@H]12 ZINC000261103997 IJ Annotated Anodyne C[C@@H]1c2nc(NC(=O)NCc3ccccc3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 ZINC000261103998 IJ Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)NCc4ccccc4)nc3[C@@H](C)[C@@H]21 ZINC000261103999 IJ Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)NCc4ccccc4)nc3[C@H](C)[C@@H]21 ZINC000261104000 IJ Annotated Anodyne Cc1cccc(C(=O)N2C[C@H]3C[C@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c1-c1ncco1 ZINC000261112956 IJ Annotated Anodyne CCc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261117189 IJ Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 ZINC000261125716 IJ Annotated Bother COc1cc2cc(C(=O)[C@@H]3CCC[N@+](C)(CC(=O)OC(C)(C)C)CC3)sc2cc1OC ZINC000261139888 IJ Annotated Mild COc1cc2cc(C(=O)[C@H]3CCC[N@@+](C)(CC(=O)OC(C)(C)C)CC3)sc2cc1OC ZINC000261139889 IJ Annotated Mild COc1cc2cc(C(=O)[C@H]3CCC[N@+](C)(CC(=O)OC(C)(C)C)CC3)sc2cc1OC ZINC000261139891 IJ Annotated Mild COc1cc2cc(C(=O)[C@@H]3CCC[N@@+](C)(CC(=O)OC(C)(C)C)CC3)sc2cc1OC ZINC000261139893 IJ Annotated Mild Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(N[C@@H]3CC[C@H](N=C(N)N)CC3)c2c1 ZINC000261143446 IJ Annotated Mild CO[C@@H]1CC[C@@H](C(=O)OCC2=C[C@@H]3c4cccc5c4c(cn5C(C)C)C[C@H]3N(C)C2)CC1 ZINC000261149013 IJ Annotated Anodyne O=S(=O)(Nc1ncc[nH]1)c1ccc2c([C@H]3CCCN3Cc3ccccc3)cccc2c1 ZINC000261159979 IJ Annotated Anodyne O=S(=O)(Nc1ncc[nH]1)c1ccc2c([C@@H]3CCCN3Cc3ccccc3)cccc2c1 ZINC000261159980 IJ Annotated Anodyne CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1 ZINC000261171770 IJ Annotated Bother CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1 ZINC000261171774 IJ Annotated Bother CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1 ZINC000261171776 IJ Annotated Bother CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1 ZINC000261171780 IJ Annotated Bother COc1cc2cc(C(=O)[C@@H]3CC[N@@+](C)(Cc4ccccc4)CC[C@@H]3O)sc2cc1OC ZINC000261180990 IJ Annotated Bother COc1cc2cc(C(=O)[C@@H]3CC[N@+](C)(Cc4ccccc4)CC[C@@H]3O)sc2cc1OC ZINC000261180993 IJ Annotated Bother COc1cc2cc(C(=O)[C@@H]3CC[N@+](C)(Cc4ccccc4)CC[C@H]3O)sc2cc1OC ZINC000261180995 IJ Annotated Bother COc1cc2cc(C(=O)[C@@H]3CC[N@@+](C)(Cc4ccccc4)CC[C@H]3O)sc2cc1OC ZINC000261180996 IJ Annotated Bother COc1cccc2cc(-c3csc(NC(=S)Nc4cccc(F)c4)n3)c(=O)oc12 ZINC000261184449 IJ Annotated Anodyne COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(F)cc4)n3)c(=O)oc12 ZINC000261187015 IJ Annotated Anodyne CC(C)[C@H](C)C(=O)C[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000261518476 IJ Annotated Anodyne CC(C)[C@@H](C)C(=O)C[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000261518477 IJ Annotated Anodyne CC(C)[C@H](C)[C@@H]1O[C@H]1[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C ZINC000261520127 IJ Annotated Anodyne C[C@H](CO)CC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2[C@@H]1C ZINC000263590839 IJ Annotated Anodyne C[C@H](CO)CC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2[C@@H]1C ZINC000263590840 IJ Annotated Anodyne C[C@H](CO)CC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@@H]1C ZINC000263590841 IJ Annotated Anodyne C[C@H](CO)CC[C@@H]1O[C@@H]2C[C@@H]3[C@@H]4CC(=O)[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2[C@@H]1C ZINC000263590842 IJ Annotated Anodyne C=CCN1[C@@H](C)[C@H](c2ccccc2)Oc2cccc(N3CCC[C@@H](C)C3)c2S1(=O)=O ZINC000263591051 IJ Annotated Mild CCOC(=O)[C@@H]1[C@H](C)[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000263591061 IJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)[C@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000263591062 IJ Annotated Anodyne COc1cc(N/N=C2/C(=O)Nc3ccccc3C2=O)c(OC)cc1N=Nc1ccccc1 ZINC000263591920 IJ Annotated Mild CN(C)c1ccc(/C=N/N2C(=N)N(c3ccccc3)C(=S)C2=Nc2ccccc2)cc1 ZINC000263592264 IJ Annotated Mild Cc1[nH]nc2c1[C@](c1cc(C#N)cc(-c3cccc(F)c3)c1)(C1CCC1)C(C#N)=C(N)O2 ZINC000263620797 IJ Annotated Reactive COc1cc2c(cc1OC)[C@H]1C[C@@H](C[C@H]3CCCCN31)OC(=O)C=Cc1ccc(O)c-2c1 ZINC000263638625 IJ Annotated Anodyne CN1Cc2ccccc2[C@@H](c2ccccc2)N=C1CCc1ccccc1NS(C)(=O)=O ZINC000026569624 IJ Annotated Anodyne CN1Cc2ccccc2[C@H](c2ccccc2)N=C1CCc1ccccc1NS(C)(=O)=O ZINC000026569627 IJ Annotated Anodyne CN1Cc2c(NS(C)(=O)=O)cccc2[C@@H](c2ccccc2)N=C1CCc1ccccc1 ZINC000026571009 IJ Annotated Anodyne CN1Cc2c(NS(C)(=O)=O)cccc2[C@H](c2ccccc2)N=C1CCc1ccccc1 ZINC000026571013 IJ Annotated Anodyne CN1Cc2ccccc2[C@@H](c2ccc(NS(C)(=O)=O)cc2)N=C1CCc1ccccc1 ZINC000026573365 IJ Annotated Anodyne CN1Cc2ccccc2[C@H](c2ccc(NS(C)(=O)=O)cc2)N=C1CCc1ccccc1 ZINC000026573367 IJ Annotated Anodyne COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC ZINC000026577811 IJ Annotated Bother C=COCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+]1(C)CCOCC1 ZINC000026577950 IJ Annotated Bother Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)CC(C)C)[C@@H]3OC(=O)CC(C)C ZINC000026578053 IJ Annotated Anodyne COc1ccc2c(c1)c1nn(CCN3CCCC3)c3cc4c(c(c13)n2C)C=CC(C)(C)O4 ZINC000026578108 IJ Annotated Bother Cc1cc(C)cc(-c2c(OC[C@@H]3CCCNC3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 ZINC000026578558 IJ Annotated Bother Cc1cc(C)cc(-c2c(OC[C@H]3CCCNC3)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1 ZINC000026578559 IJ Annotated Bother O=C(Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1)NO ZINC000026579082 IJ Annotated Bother CC1(C)C=Cc2c(cc3c4c2sc2ccccc2c4nn3CCOS(C)(=O)=O)O1 ZINC000026579782 IJ Annotated Mild Cc1ccc(C(=O)N/C(C(=O)N2CCCCC2)=C(/Br)c2ccccc2)cc1 ZINC000026637577 IJ Annotated Anodyne Cc1ccc(/C(Br)=C(\NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1 ZINC000026644188 IJ Annotated Anodyne CCCC(=O)c1cnc2c(OCCOCCO)cccc2c1Nc1ccc(F)cc1C ZINC000026659960 IJ Annotated Anodyne CC(=O)Oc1cc2c(c(C)c1OC(C)=O)[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1C=C2 ZINC000026675283 IJ Annotated Anodyne O=c1c2c(ncn2Cc2cccc(Br)c2)c2cccnc2n1-c1ccccc1 ZINC000026717932 IJ Annotated Anodyne COC(=O)[C@H]1CCC[C@@H](NCc2cc(/C=C/c3cn(C)c4ccc(Cl)cc34)[nH]n2)C1 ZINC000026720376 IJ Annotated Anodyne COC(=O)[C@@H]1CCC[C@H](NCc2cc(/C=C/c3cn(C)c4ccc(Cl)cc34)[nH]n2)C1 ZINC000026720381 IJ Annotated Anodyne COC(=O)[C@H]1CCC[C@H](NCc2cc(/C=C/c3cn(C)c4ccc(Cl)cc34)[nH]n2)C1 ZINC000026720386 IJ Annotated Anodyne CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2ccc(OCCO)cc2n1 ZINC000026722891 IJ Annotated Anodyne COC(=O)[C@@H]1CCCN(Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026724229 IJ Annotated Anodyne COC(=O)[C@H]1CCCN(Cc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)C1 ZINC000026724236 IJ Annotated Anodyne COC(=O)[C@@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4cnc(Cl)c(Cl)c4)c23)C1 ZINC000026725807 IJ Annotated Anodyne COC(=O)[C@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4cnc(Cl)c(Cl)c4)c23)C1 ZINC000026725812 IJ Annotated Anodyne COC(=O)[C@@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4cnc(Cl)c(Cl)c4)c23)C1 ZINC000026725817 IJ Annotated Anodyne COC(=O)[C@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4cnc(Cl)c(Cl)c4)c23)C1 ZINC000026725822 IJ Annotated Anodyne N#Cc1c(NS(=O)(=O)c2ccccc2)[nH]c(Sc2ccc3ccccc3c2)c1C#N ZINC000026733879 IJ Annotated Mild Cc1cc(-c2ccc(F)c(C)c2)c(C#C[P@](=O)(O)C[C@@H](O)CC(=O)O)c(C(C)C)c1 ZINC000026746420 IJ Annotated Mild Cc1cc(-c2ccc(F)c(C)c2)c(CO[P@](=O)(O)C[C@@H](O)CC(=O)O)c(C(C)C)c1 ZINC000026749555 IJ Annotated Anodyne in-vitro Cc1n(CCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1Cc1ccccc1Cl ZINC000026752049 IJ Annotated Anodyne Cc1n(CCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1Cc1cccc(Cl)c1 ZINC000026819934 IJ Annotated Anodyne Cc1n(CCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1Cc1ccc(Cl)cc1 ZINC000026820629 IJ Annotated Anodyne Cc1n(CCCCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1Cc1ccccc1 ZINC000026823173 IJ Annotated Anodyne CCC(=O)Nc1cc(C)c(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)c(Cl)c1 ZINC000026829662 IJ Annotated Anodyne CCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O ZINC000026837045 IJ Annotated Clean CC(=O)N(c1ccc(Nc2c3cccc(C)c3nc3c(C)c(N)ccc23)cc1)S(C)(=O)=O ZINC000026839601 IJ Annotated Clean CCOC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc12 ZINC000026841346 IJ Annotated Clean Nc1ccc(S(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cn2)cc1 ZINC000026842135 IJ Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)c(C)c(N)cc12 ZINC000026842788 IJ Annotated Clean COc1cc2c(cc1NCCN(C)C)nc(Nc1c(C)cccc1Cl)c1cnc(C)n12 ZINC000026843743 IJ Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c3c(ccc12)O[C@H](C)C3 ZINC000026844353 IJ Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c3c(ccc12)O[C@@H](C)C3 ZINC000026844360 IJ Annotated Clean CCC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 ZINC000026844779 IJ Annotated Clean CC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1C ZINC000026845741 IJ Annotated Clean CC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3C)c3ccccc3nc2c1 ZINC000026847348 IJ Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[n+](C)c2cc(Cl)ccc12 ZINC000026847482 IJ Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(C)c2nc2c(C)c(N)ccc12 ZINC000026848532 IJ Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2c(OC)cccc12 ZINC000026934962 IJ Annotated Clean COc1c(Cl)cc(C(=CCCCCO)c2cc(Cl)c(OC)c(CO)c2)cc1CO ZINC000026935154 IJ Annotated Anodyne CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(C)c3nc2c1 ZINC000026940433 IJ Annotated Clean O=C(CCCc1ccncc1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000026971674 IJ Annotated Reactive CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1ccccc1OC ZINC000026975491 IJ Annotated Anodyne O=C(CCCc1ccccn1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000026979658 IJ Annotated Reactive CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)Cc1ccccc1C ZINC000026982706 IJ Annotated Anodyne CCN(Cc1ccc(OC)cc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 ZINC000026987196 IJ Annotated Anodyne CCN(Cc1ccc(C)cc1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 ZINC000026993200 IJ Annotated Anodyne CN1C(=O)[C@@H](Cc2ccc(F)c(F)c2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 ZINC000026993761 IJ Annotated Anodyne CN1C(=O)[C@H](Cc2ccc(F)c(F)c2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 ZINC000026993766 IJ Annotated Anodyne CCN(Cc1cccc(C)c1)Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 ZINC000026994830 IJ Annotated Anodyne CCCCCCOC[C@@]12C[C@@H]3[C@H](C)C(=O)C[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000027079419 IJ Annotated Mild CCCCCCOC[C@@]12C[C@H]3[C@@H](CC[C@]3(C)O)[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@]32C(=O)O ZINC000027079470 IJ Annotated Mild O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@@H]1C(=CC=C(Cl)[C@H]1Cl)N2O ZINC000027082746 IJ Annotated Reactive O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@@H]1C(=CC=C(Cl)[C@@H]1Cl)N2O ZINC000027082751 IJ Annotated Reactive O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@H]1C(=CC=C(Cl)[C@H]1Cl)N2O ZINC000027082758 IJ Annotated Reactive O=C1C[C@H](c2ccc(C(F)(F)F)cc2)CC2=C1C(=O)[C@H]1C(=CC=C(Cl)[C@@H]1Cl)N2O ZINC000027082763 IJ Annotated Reactive O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)c(F)cc1n2O ZINC000027082776 IJ Annotated Anodyne O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)c(F)cc1n2O ZINC000027082784 IJ Annotated Anodyne NCC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027083427 IJ Annotated Mild COc1ccccc1[C@@H]1C/C(=N\CCCN(C)C)c2c([nH]c3ccc(Cl)cc3c2=O)C1 ZINC000027085085 IJ Annotated Mild COc1ccc([C@@H]2C/C(=N\CCCN(C)C)c3c([nH]c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027085613 IJ Annotated Mild COc1ccc([C@H]2C/C(=N\CCCN(C)C)c3c([nH]c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027085620 IJ Annotated Mild CCc1cc(OCCc2cccc(O)c2)cc(OS(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000027090352 IJ Annotated Anodyne CN(C)CCOc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1 ZINC000027091044 IJ Annotated Reactive CN(C)CCOc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1 ZINC000027091048 IJ Annotated Reactive Cc1ccc([C@@H]2C/C(=N\CCCN(C)C)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027092420 IJ Annotated Mild Cc1ccc([C@H]2C/C(=N\CCCN(C)C)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc1 ZINC000027092426 IJ Annotated Mild O=c1nc(O)n(C/C=C/c2cc(OCc3ccc(Cl)c(Cl)c3)ccc2Cl)o1 ZINC000027092755 IJ Annotated Anodyne N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(F)c(Br)c1)C(=O)O ZINC000027105891 IJ Annotated Anodyne N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C\c1ccc(F)c(Br)c1)C(=O)O ZINC000027105894 IJ Annotated Anodyne COc1ccc(CN2C(=O)c3cc(O)cc4c3c2cc2cc(OC)c(O)c(OC)c24)cc1 ZINC000027108642 IJ Annotated Bother N[C@@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(F)c(Br)c1)C(=O)O ZINC000027108943 IJ Annotated Anodyne N[C@H](CC1CCCCC1)[P@](=O)(O)C/C(=C/c1ccc(F)c(Br)c1)C(=O)O ZINC000027108946 IJ Annotated Anodyne CCN(CC)C/C(O)=N/c1nc2c(ccc3nc(/N=C(\O)CN(CC)CC)sc32)s1 ZINC000027181530 IJ Annotated Mild CCN(CC)C/C(O)=N/c1nc2cc3sc(/N=C(\O)CN(CC)CC)nc3cc2s1 ZINC000027185141 IJ Annotated Mild COc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(C)c2nc2c(OC)cccc12 ZINC000027185225 IJ Annotated Clean CCN(CC)C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN(CC)CC)sc3cc2s1 ZINC000027188282 IJ Annotated Mild O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027191463 IJ Annotated Anodyne O=C(NCC1C2CC3CC(C2)CC1C3)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O ZINC000027191469 IJ Annotated Anodyne O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027191472 IJ Annotated Anodyne O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000027191478 IJ Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc3ccccc3c2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027201814 IJ Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc3ccccc3c2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027201820 IJ Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2cccc3ccccc23)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027205211 IJ Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2cccc3ccccc23)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027205217 IJ Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1CC[C@H]1C[C@H](O)CC(=O)O1 ZINC000027215919 IJ Annotated Anodyne in-vitro CCc1cc(Cc2cc(Cc3cc(CC)c(O)c(CC)c3)c(N)nc2N)cc(CC)c1O ZINC000027300364 IJ Annotated Anodyne COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCOc1ccc2c(N)noc2c1 ZINC000027307813 IJ Annotated Anodyne Cn1ccc(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)cc1=O ZINC000027310859 IJ Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1[C@@H](OC(=O)[C@H](C)CC)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000027314732 IJ Annotated Anodyne CC[C@H](C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)[C@@H](C)CC ZINC000027314737 IJ Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1[C@H](OC(=O)[C@H](C)CC)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000027314744 IJ Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(=O)[C@@H](C)CC ZINC000027314750 IJ Annotated Anodyne CC(C)CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O[C@@H]1CCCCO1 ZINC000027315686 IJ Annotated Anodyne CC(C)CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O[C@@H]1CCCCO1 ZINC000027315691 IJ Annotated Anodyne CC(C)CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O[C@@H]1CCCCO1 ZINC000027315697 IJ Annotated Anodyne CC(C)CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O[C@@H]1CCCCO1 ZINC000027315701 IJ Annotated Anodyne CC1=NN(c2ccccc2)C(=O)/C1=C(/c1ccccc1)N1CCN(c2ccccc2C)CC1 ZINC000027321829 IJ Annotated Clean CCOc1ccc(F)c(CCNC(=S)Nc2nc(C(F)(F)F)cs2)c1Cl ZINC000027426367 IJ Annotated Anodyne C(=NNc1ccccn1)c1ccc(-c2cn3cc(C=NNc4ccccn4)ccc3n2)cc1 ZINC000027427812 IJ Annotated Anodyne C(=N/Nc1ccccn1)\c1ccc(-c2cn3cc(/C=N/Nc4ccccn4)ccc3n2)cc1 ZINC000027427827 IJ Annotated Mild COCCOCCOCCSc1cccc(CNc2nc3ccccc3s2)c1C ZINC000027430835 IJ Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)C[C@@H]2OC(=O)[C@H](CCCCC(=N)N)[C@@H]32)c1 ZINC000027437537 IJ Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)C[C@@H]2OC(=O)[C@@H](CCCCC(=N)N)[C@@H]32)c1 ZINC000027437541 IJ Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](C3)OC(=O)[C@H]2CCCCC(=N)N)c1 ZINC000027439997 IJ Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](C3)OC(=O)[C@@H]2CCCCC(=N)N)c1 ZINC000027440002 IJ Annotated Anodyne O=[S@](Cc1cc(OCC(F)(F)C(F)(F)F)c(Cl)cn1)c1nc2cscc2[nH]1 ZINC000027520346 IJ Annotated Anodyne O=[S@@](Cc1cc(OCC(F)(F)C(F)(F)F)c(Cl)cn1)c1nc2cscc2[nH]1 ZINC000027520347 IJ Annotated Anodyne Cc1cc(CCCCCOc2c(Cl)cc(C3=NCCO3)cc2Br)on1 ZINC000027521251 IJ Annotated Anodyne CC(=O)c1ccc(C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(C(C)=O)cc2)cc1 ZINC000027522372 IJ Annotated Mild CC(=O)c1ccc2c(c1)/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(C)=O)cc1-2 ZINC000027522988 IJ Annotated Mild COc1cc([C@@H]2CN=C(c3ccc4c(ccn4CC(F)(F)F)c3)O2)cc(OC)c1OC ZINC000027524699 IJ Annotated Anodyne COc1cc([C@H]2CN=C(c3ccc4c(ccn4CC(F)(F)F)c3)O2)cc(OC)c1OC ZINC000027524700 IJ Annotated Anodyne CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c(C(=O)NC)cccc23)c1 ZINC000027524821 IJ Annotated Clean CCCC(=O)Oc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN(CC)CC)c2c1 ZINC000027525093 IJ Annotated Bother CN(C)Cc1ccc(CSCCNc2ncc(Cc3ccc4ccccc4c3)c(=O)[nH]2)o1 ZINC000027525157 IJ Annotated Anodyne CCCN(C(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)C1CCCCC1 ZINC000027554099 IJ Annotated Anodyne CCCN(C(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)C1CCCCC1 ZINC000027554101 IJ Annotated Anodyne C=CCN(C(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)C1CCCCC1 ZINC000027554320 IJ Annotated Mild C=CCN(C(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1)C1CCCCC1 ZINC000027554322 IJ Annotated Mild C/C=C(\C)C(=O)N[C@@H]1C=C2CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O ZINC000027558029 IJ Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)C#Cc2ccccc2)[C@]13C(=O)O ZINC000027558805 IJ Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)C#CCC2CCCC2)[C@]13C(=O)O ZINC000027562326 IJ Annotated Mild O=C(c1ccccc1NCc1ccccc1)N1CCN(Cc2c[nH]cn2)c2ccccc2C1 ZINC000027563594 IJ Annotated Anodyne CC(C)CCC#C[C@@H](O)[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 ZINC000027564325 IJ Annotated Mild CC(C)CCC#C[C@H](O)[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 ZINC000027564326 IJ Annotated Mild COC1(c2nc3c(F)cccc3s2)C=CC(=NS(=O)(=O)c2ccc(C)cc2)C=C1 ZINC000027623520 IJ Annotated Mild COC1(c2nc3ccc(F)cc3s2)C=CC(=NS(=O)(=O)c2ccc(C)cc2)C=C1 ZINC000027625566 IJ Annotated Mild N/C(=N\c1nc(-c2c[nH]c3ccc(Br)cc23)cs1)NCc1ccccc1 ZINC000027630617 IJ Annotated Mild O=C(Nc1ccccc1)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 ZINC000027632577 IJ Annotated Reactive FC(F)(F)c1cc(COC[C@@H](NCc2ncn[nH]2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000027640452 IJ Annotated Anodyne O=C(CC(CC(=O)c1ccc(F)cc1)c1cccc(-n2cnnn2)c1)c1ccc(F)cc1 ZINC000027643861 IJ Annotated Anodyne C[C@@H]1CC[N+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N+]4(C)CC[C@@H](C)C4)cc3)cc2)C1 ZINC000027648565 IJ Annotated Mild C[C@H]1CC[N+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N+]4(C)CC[C@@H](C)C4)cc3)cc2)C1 ZINC000027648571 IJ Annotated Mild C[N+]1(CC(=O)c2ccc(-c3ccc(C(=O)C[N+]4(C)CCCCC4)cc3)cc2)CCCCC1 ZINC000027650564 IJ Annotated Mild C[C@H]1CCC[N+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N+]3(C)CCC[C@H]3C)cc2)cc1 ZINC000027657227 IJ Annotated Mild C[C@H]1CCC[N+]1(C)CC(=O)c1ccc(-c2ccc(C(=O)C[N+]3(C)CCC[C@@H]3C)cc2)cc1 ZINC000027657228 IJ Annotated Mild CN(C)CCCNc1ccccc1-c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000027704977 IJ Annotated Bother COC(=O)N1C=CC=C([C@H]2C(C(=O)OCC(C)C)=C(C)N=C(C)/C2=C(/O)OCC(C)C)C1 ZINC000027712504 IJ Annotated Anodyne COc1ccc(OC)c2c1C[C@H](O)[C@@H](NCCCC(c1ccccc1)c1ccccc1)C2 ZINC000027713668 IJ Annotated Anodyne C/N=C1/CCc2c1n(C)c1ccc(OC(=O)NCc3ccccc3)c(Br)c21 ZINC000027714221 IJ Annotated Mild CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@@H]1C1=CCN(C(=O)OC(C)(C)C)C=C1 ZINC000027718273 IJ Annotated Anodyne CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@H]1C1=CCN(C(=O)OC(C)(C)C)C=C1 ZINC000027718280 IJ Annotated Anodyne CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@@H]1C1=CC=CN(C(=O)OC(C)(C)C)C1 ZINC000027721487 IJ Annotated Anodyne CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC(C)C)[C@H]1C1=CC=CN(C(=O)OC(C)(C)C)C1 ZINC000027721494 IJ Annotated Anodyne CCOC(=O)Nc1cc2c(nc(SCc3ccccc3)n2/N=C/c2ccccc2)c(N)n1 ZINC000027722673 IJ Annotated Mild COC(=O)N1C=CC([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C(C)/C2=C(/O)OCC(C)C)=CC1 ZINC000027724641 IJ Annotated Anodyne COc1cc2c(cc1OC)C[C@H](OC)[C@@H](NCCC(c1ccccc1)c1ccccc1)C2 ZINC000027725384 IJ Annotated Anodyne CC(=O)OC[C@H]1C[C@H]2CCCC[C@@H]2[C@@H](/C=C/[C@H]2CCC[C@H](C)N2C)[C@H]1[C@H](C)OC(C)=O ZINC000027728014 IJ Annotated Anodyne O=C(c1ccc(-c2ccccc2)cc1)N1c2c(sc3ccccc23)C(O)=NS1(=O)=O ZINC000027736268 IJ Annotated Anodyne O=C(c1ccco1)N(c1cccc2nsnc12)C1CCN(CCc2ccccc2)CC1 ZINC000027741750 IJ Annotated Anodyne N#Cc1ccc(/C=C/S(=O)(=O)Cc2ccc(Nc3ncnc4ccccc34)cc2)cc1 ZINC000027746581 IJ Annotated Mild CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccn2)cc1-c1ccccc1C)C(=O)O ZINC000027748401 IJ Annotated Anodyne O=C(O)/C=N/O[C@H](c1ccc(OCc2nc3cccnc3s2)cc1)C1CCCCC1 ZINC000027748964 IJ Annotated Mild O=C(O)/C=N/O[C@@H](c1ccc(OCc2nc3cccnc3s2)cc1)C1CCCCC1 ZINC000027748968 IJ Annotated Mild CC(=O)Oc1cc(C(=O)[C@@H](Cc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1OC(C)=O ZINC000027754618 IJ Annotated Bother CC(=O)Oc1cc(C(=O)[C@H](Cc2ccccc2)c2ccccc2)cc([N+](=O)[O-])c1OC(C)=O ZINC000027754625 IJ Annotated Bother O=[N+]([O-])c1ccc(-n2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)c([N+](=O)[O-])c1 ZINC000027755852 IJ Annotated Bother CC(=O)Oc1cc(C(=O)C2(c3ccccc3)CCCCC2)cc([N+](=O)[O-])c1OC(C)=O ZINC000027760448 IJ Annotated Bother O=C1c2sc3ccccc3c2N(Cc2ccccc2)S(=O)(=O)N1Cc1ccccc1 ZINC000027761724 IJ Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@@H]3SCC(=O)N3[C@@H](CCCN)C(=O)O)c2)cc1 ZINC000027765593 IJ Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@H]3SCC(=O)N3[C@@H](CCCN)C(=O)O)c2)cc1 ZINC000027765601 IJ Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cncnc2)cc1-c1ccccc1C)C(=O)O ZINC000027765788 IJ Annotated Anodyne CCCCNC(=O)C(C)(C)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1 ZINC000027850285 IJ Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc2cc(C(=O)O)ccc2c1 ZINC000027865025 IJ Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc2cc(C(=O)O)ccc2c1 ZINC000027865032 IJ Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)c2ccccc12 ZINC000027866995 IJ Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)c2ccccc12 ZINC000027867001 IJ Annotated Anodyne C[C@H](C#N)CCCCCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N ZINC000027877159 IJ Annotated Mild C[C@@H](C#N)CCCCCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N ZINC000027877166 IJ Annotated Mild C(=C/c1cc2ccc(C3=NCCN3)cc2[nH]1)\c1ccc(Oc2ccc(C3=NCCN3)cc2)cc1 ZINC000027879492 IJ Annotated Anodyne Nc1nc(Sc2cccc(C(=O)O)c2)nc2c1cnn2-c1cc(Cl)cc(Cl)c1 ZINC000027894824 IJ Annotated Anodyne Oc1c(CN2CCCC2)cc(Nc2nnc(Cl)c3ccccc23)cc1CN1CCCC1 ZINC000027898618 IJ Annotated Clean Cc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Sc3cccc(C(=O)O)c3)nc(N)c12 ZINC000027901282 IJ Annotated Anodyne Nc1nc(Sc2cccc(C(=O)O)c2)nc2c(-c3ccc(Cl)c(Cl)c3)cnn12 ZINC000027981389 IJ Annotated Anodyne CCCCO[C@@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000028007463 IJ Annotated Mild CCCCO[C@H]1CC([C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]2C=C(C(C)C)[C@]43C(=O)O)=NO1 ZINC000028007466 IJ 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]4CCCC[C@H]24)[C@]13C(=O)O ZINC000028014075 IJ Annotated Mild N=C(N)c1ccc(-n2ccc3ccc(NCc4ccc5ccc(C(=N)N)cc5c4)cc32)cc1 ZINC000028014942 IJ Annotated Anodyne Cc1ccc(CCc2ccsc2S(=O)(=O)Nc2onc(C)c2Br)cc1 ZINC000028015434 IJ Annotated Anodyne CCC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCc2cccs2)CC1 ZINC000028021197 IJ Annotated Anodyne COc1ccc(-n2nc(C#C[C@@H](C)N(O)C(=O)c3ccco3)cc2-c2ccc(C)cc2)cc1 ZINC000028101564 IJ Annotated Mild COc1ccc(-n2nc(C#C[C@H](C)N(O)C(=O)c3ccco3)cc2-c2ccc(C)cc2)cc1 ZINC000028101569 IJ Annotated Mild CN(C(=O)COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1)c1ccccc1 ZINC000028124697 IJ Annotated Anodyne CS(=O)(=O)c1ccc(N(Cc2cccs2)C(=O)Nc2ncc(Cl)s2)cc1 ZINC000028130568 IJ Annotated Anodyne CS(=O)(=O)c1ccc(N(Cc2ccsc2)C(=O)Nc2ncc(Cl)s2)cc1 ZINC000028130712 IJ Annotated Anodyne CCCC(=O)N(Cc1c(C)cc(Cl)cc1Cl)c1c(NC(C)(C)CC)c(=O)c1=O ZINC000028226709 IJ Annotated Anodyne Cc1cc(C(=O)Nc2ccc(C(=N)N3CCC3)cc2F)n(-c2cc3ccccc3cc2F)n1 ZINC000028236128 IJ Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2([C@@H](O)CCc2ccccc2)[C@]13C(=O)O ZINC000028253177 IJ Annotated Mild CCOC(=O)/C=C/c1c(-c2ccccc2)nc2n(c1=O)[C@H](C)CC/C2=N\Nc1ccccc1 ZINC000028254689 IJ Annotated Mild CCOC(=O)/C=C/c1c(-c2ccccc2)nc2n(c1=O)[C@@H](C)CC/C2=N\Nc1ccccc1 ZINC000028254695 IJ Annotated Mild CN(C(=O)c1ccc(Br)c(Br)c1)[C@H]1CCCC[C@@]12CCCN2C ZINC000028254962 IJ Annotated Anodyne O=C(O)C[C@@H](c1cnc[nH]1)N(CCCCCCO)CC(c1ccccc1)c1ccccc1 ZINC000028331499 IJ Annotated Anodyne O=C(O)C[C@H](c1cnc[nH]1)N(CCCCCCO)CC(c1ccccc1)c1ccccc1 ZINC000028331507 IJ Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc(Cl)cc1 ZINC000028332194 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@H]([C@@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NC1CCCCC1)C2 ZINC000028337854 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@@H]([C@@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NC1CCCCC1)C2 ZINC000028337860 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@H]([C@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NC1CCCCC1)C2 ZINC000028337868 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@@H]([C@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NC1CCCCC1)C2 ZINC000028337874 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2ccc(N3CCCC3)cc2)CCc2ccccc2C1 ZINC000028346487 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(N3CCCC3)cc2)CCc2ccccc2C1 ZINC000028346491 IJ Annotated Anodyne CC[C@@H](c1ccc(Br)c(Br)c1)n1c(C(=O)OC)c[nH]c1=S ZINC000028346888 IJ Annotated Anodyne CC[C@H](c1ccc(Br)c(Br)c1)n1c(C(=O)OC)c[nH]c1=S ZINC000028346894 IJ Annotated Anodyne COC(=O)[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 ZINC000028352599 IJ Annotated Mild COC(=O)[C@H]1C2CCC(CC2)[C@@H]1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 ZINC000028352609 IJ Annotated Mild COC(=O)[C@@H]1C2CCC(CC2)[C@H]1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 ZINC000028352622 IJ Annotated Mild COC(=O)[C@H]1C2CCC(CC2)[C@H]1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 ZINC000028352636 IJ Annotated Mild Cc1noc([C@H]2CC=CC[C@@H]2c2ccc(CNc3nccc(C)c3NC(=O)CC#N)cc2)n1 ZINC000028356881 IJ Annotated Mild CSc1sc(-c2nnc(SC)n2-c2ccc([N+](=O)[O-])cc2)c2c1C(=O)CCC2 ZINC000028360524 IJ Annotated Bother COc1ccc2c(c1)CC[C@H]([C@@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NCc1ccccc1)C2 ZINC000028362994 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@@H]([C@@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NCc1ccccc1)C2 ZINC000028363001 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@H]([C@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NCc1ccccc1)C2 ZINC000028363008 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@@H]([C@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NCc1ccccc1)C2 ZINC000028363013 IJ Annotated Anodyne c1ccc(CO[C@@H]2OC[C@H](Cc3ccc4c(c3)OCO4)[C@@H]2Cc2ccc3c(c2)OCO3)cc1 ZINC000028369913 IJ Annotated Anodyne c1ccc(CO[C@H]2OC[C@H](Cc3ccc4c(c3)OCO4)[C@@H]2Cc2ccc3c(c2)OCO3)cc1 ZINC000028369920 IJ Annotated Anodyne O=C(O)c1nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn2c1-c1ccccc1 ZINC000028376248 IJ Annotated Anodyne C=C1C(=O)c2ccc3ccccc3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OC ZINC000028376317 IJ Annotated Mild COc1ccccc1CC1CCN(C2CCC3(CC2)OC(=O)c2c3ccc3c2OCO3)CC1 ZINC000028378040 IJ Annotated Anodyne O=C1OC2(CCC(N3CCC(Cc4ccccc4F)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028381900 IJ Annotated Anodyne CCCO/N=C/c1cc(C)c(OCCCCCN2CCN(c3ccncc3)C2=O)c(C)c1 ZINC000028383263 IJ Annotated Mild COc1cc(C(=O)OC[C@@H](C)CC2=C(O)C(=O)c3ccccc3C2=O)c(O)c2ccccc12 ZINC000028386671 IJ Annotated Mild COc1cc(C(=O)OCCCC2=CC(=O)c3ccccc3C2=O)c(OC)c2ccccc12 ZINC000028386681 IJ Annotated Mild CC(C)(COC(=O)c1cc(O)c2ccccc2c1O)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000028387849 IJ Annotated Mild CCNC(=O)c1ccc(C(Br)=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)cc1 ZINC000028396180 IJ Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccsc2)c2cnccn2)cc1 ZINC000028456276 IJ Annotated Anodyne COc1cc(C(=O)OCCCC2=C(O)C(=O)c3ccccc3C2=O)c(OC)c2ccccc12 ZINC000028458719 IJ Annotated Mild COc1c(C(=O)OC[C@H](C)CC2=C(O)C(=O)c3ccccc3C2=O)ccc2ccccc12 ZINC000028459977 IJ Annotated Mild COc1cc2cc(C(=O)[C@@H]3CCC[N+](C)(CC(=O)OC(C)(C)C)CC3)sc2cc1OC ZINC000028460021 IJ Annotated Mild COc1cc2cc(C(=O)[C@H]3CCC[N+](C)(CC(=O)OC(C)(C)C)CC3)sc2cc1OC ZINC000028460024 IJ Annotated Mild COc1cc2cc(C(=O)[C@@H]3CCC[N+](C)(C[C@@H]4CCCCO4)CC3)sc2cc1OC ZINC000028463451 IJ Annotated Bother COc1cc2cc(C(=O)[C@H]3CCC[N+](C)(C[C@@H]4CCCCO4)CC3)sc2cc1OC ZINC000028463455 IJ Annotated Bother COC(=O)c1ccc(NC(=O)c2sc3cc(C(=N)NC(C)C)ccc3c2Cl)cc1 ZINC000028469074 IJ Annotated Anodyne CC(C)C(=O)N1N=C(c2ccc(C(F)(F)F)cc2)NN=C1c1ccc(C(F)(F)F)cc1 ZINC000028469377 IJ Annotated Anodyne CCC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)NN=C1c1ccc(C(F)(F)F)cc1 ZINC000028469915 IJ Annotated Anodyne COC(=O)c1ccc2c(Cl)c(C(=O)Nc3ccc(C(=N)NC(C)C)cc3)sc2c1 ZINC000028472962 IJ Annotated Anodyne O=C1N(CCOCCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN1c1ccncc1 ZINC000028476459 IJ Annotated Anodyne O=c1oc2ccccc2c2c(-c3ccc(O)c(O)c3)c3c4cc(O)c(O)cc4ccn3c12 ZINC000028476906 IJ Annotated Clean COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)NC2(C)C)c2ncccc2c1 ZINC000028476924 IJ Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)NC2(C)C)c2ncccc2c1 ZINC000028476927 IJ Annotated Anodyne CCCc1nc(-c2ccc(OCC[C@@H](C)CCN3CCN(c4ccncc4)C3=O)cc2)no1 ZINC000028520845 IJ Annotated Anodyne CCCc1nc(-c2ccc(OCC[C@H](C)CCN3CCN(c4ccncc4)C3=O)cc2)no1 ZINC000028520847 IJ Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](C(C)C)NC23CCCCC3)c2ncccc2c1 ZINC000028521291 IJ Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@H](C(C)C)NC23CCCCC3)c2ncccc2c1 ZINC000028521293 IJ Annotated Anodyne COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1cccc(Cl)c1Cl)CC2 ZINC000028522378 IJ Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000028522573 IJ Annotated Bother CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2c(F)cccc2F)n1 ZINC000028523095 IJ Annotated Anodyne Cc1nn(Cc2ccccc2)c(=O)c2nc(-c3ccccn3)n3nc(-c4ccccc4)cc3c12 ZINC000028523421 IJ Annotated Anodyne CN(C)CCOc1ccc2c(c1)[nH]c1c3cc4ccccc4cc3c3c(c21)C(=O)N(C)C3=O ZINC000028523868 IJ Annotated Bother COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)Nc1cccc(Cl)c1F)CC2 ZINC000028524705 IJ Annotated Anodyne O=C(Nc1ccccc1NC(=O)C1=CCCCC1)OCC1CCN(c2ccncc2)CC1 ZINC000028525672 IJ Annotated Anodyne O=C(Nc1ccccc1NC(=O)[C@H]1C=CCCC1)OCC1CCN(c2ccncc2)CC1 ZINC000028525734 IJ Annotated Anodyne O=C(Nc1ccccc1NC(=O)[C@@H]1C=CCCC1)OCC1CCN(c2ccncc2)CC1 ZINC000028525735 IJ Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C(C=O)[C@]2(C=O)[C@@H](OC)C[C@H]1C ZINC000028526801 IJ Annotated Reactive C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C(C=O)[C@]2(C=O)[C@@H](OC)C[C@H]1C ZINC000028526803 IJ Annotated Reactive Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCC(F)(F)c2cccc[n+]2[O-])n1 ZINC000028528951 IJ Annotated Anodyne CN(C)CCNC(=O)c1ccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)cc1 ZINC000028529003 IJ Annotated Anodyne COc1cc(OC)cc(Oc2ncccc2-c2n[nH]c(Nc3cc(F)cc(F)c3)n2)c1 ZINC000028530342 IJ Annotated Anodyne CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C ZINC000028530515 IJ Annotated Anodyne CC(=O)Nc1cc(Cl)ccc1/C=C/C(=O)N1C[C@@H](C)N(Cc2ccc(F)cc2)C[C@@H]1C ZINC000028530517 IJ Annotated Anodyne CC(C)(Cc1csc2ccccc12)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC000028564667 IJ Annotated Mild CC(C)(Cc1cc2ccccc2s1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC000028564720 IJ Annotated Mild in-vitro CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000028564818 IJ Annotated Bother COc1ccc(C#CC(C)(C)N)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12 ZINC000028564979 IJ Annotated Mild COc1ccc(CCC(C)(C)O)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12 ZINC000028565759 IJ Annotated Anodyne COc1ccc(CCC(C)(C)N)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc12 ZINC000028565895 IJ Annotated Anodyne COc1ccc(CCCN(C)C)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12 ZINC000028565931 IJ Annotated Anodyne COc1ccc(CCC(C)(C)O)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)cnc12 ZINC000028566221 IJ Annotated Anodyne COc1cccc(C(=O)O[C@@H]2C=CC(=O)[C@@]3(CC(=O)O[C@@H]3/C=C(\C)CCC=C(C)C)C2)c1 ZINC000028566687 IJ Annotated Mild COc1ccc(C(=O)O[C@@H]2C=CC(=O)[C@@]3(CC(=O)O[C@@H]3/C=C(\C)CCC=C(C)C)C2)cc1 ZINC000028566825 IJ Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccc(F)cc1)C=CC2=O ZINC000028566893 IJ Annotated Mild C[C@@](CO)(CCCCS(=O)CCCC[C@@](C)(CO)c1ccccc1)c1ccccc1 ZINC000028567097 IJ Annotated Anodyne C[C@](CO)(CCCCS(=O)CCCC[C@@](C)(CO)c1ccccc1)c1ccccc1 ZINC000028567099 IJ Annotated Anodyne C[C@](CO)(CCCCS(=O)CCCC[C@](C)(CO)c1ccccc1)c1ccccc1 ZINC000028567102 IJ Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1cccc(F)c1)C=CC2=O ZINC000028567401 IJ Annotated Mild COc1ccccc1C(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1 ZINC000028567609 IJ Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccccc1F)C=CC2=O ZINC000028567620 IJ Annotated Mild COc1ccc(CCC(C)(C)N)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ncc12 ZINC000028567820 IJ Annotated Anodyne O=[N+]([O-])c1ccc(C2=NN(c3ccnc4cc(Cl)ccc34)[C@](O)(C(F)(F)F)C2)cc1 ZINC000028568392 IJ Annotated Clean O=[N+]([O-])c1ccc(C2=NN(c3ccnc4cc(Cl)ccc34)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000028568393 IJ Annotated Clean CCCN(c1ccccc1Br)S(=O)(=O)c1ccc(O)c(C(F)(F)F)c1 ZINC000028568941 IJ Annotated Anodyne CCOC(=O)c1cn(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c([C@@H](C)CC)n1 ZINC000028569347 IJ Annotated Anodyne CCOC(=O)c1cn(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c([C@H](C)CC)n1 ZINC000028569348 IJ Annotated Anodyne CC(C)c1ncc(C[C@@H](C)C(=O)O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569440 IJ Annotated Anodyne CC(C)c1ncc(C[C@H](C)C(=O)O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569441 IJ Annotated Anodyne CC[C@@H](C)c1ncc(CCC(=O)O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569483 IJ Annotated Anodyne CC[C@H](C)c1ncc(CCC(=O)O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569484 IJ Annotated Anodyne O=C1NC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)N1 ZINC000028570128 IJ Annotated Mild O=C1NC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)N1 ZINC000028570129 IJ Annotated Mild C=C(C[C@H](c1ccc(O)cc1)c1c(O)cc(O)c(-c2cc(OC)cc(=O)o2)c1C)OCC ZINC000028570609 IJ Annotated Mild CCCO[C@H]1[C@H](Cc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCCC ZINC000028571386 IJ Annotated Anodyne O=S(=O)(NC[C@@H]1CCC[C@H]1[C@@H](O)CCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000028571572 IJ Annotated Anodyne O=S(=O)(NC[C@@H]1CCC[C@H]1[C@H](O)CCc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000028571573 IJ Annotated Anodyne CO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccc(-c4ccccc4)cc3)O[C@H]2[C@@H]1OC ZINC000028571993 IJ Annotated Anodyne Cc1cc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)ccc1-c1cscn1 ZINC000028572214 IJ Annotated Anodyne O=C(c1cc(-c2cc(F)cc([N+](=O)[O-])c2O)cc([N+](=O)[O-])c1O)[C@@H]1CCc2ccccc21 ZINC000028608410 IJ Annotated Bother O=C(c1cc(-c2cc(F)cc([N+](=O)[O-])c2O)cc([N+](=O)[O-])c1O)[C@H]1CCc2ccccc21 ZINC000028608411 IJ Annotated Bother COc1ccc2c(c1)nc([S@@](=O)Cc1nc3ccccc3n3cccc13)c1cccn12 ZINC000028637212 IJ Annotated Anodyne COc1ccc2c(c1)nc([S@](=O)Cc1nc3ccccc3n3cccc13)c1cccn12 ZINC000028637215 IJ Annotated Anodyne COc1ccc(CN2c3cc(C(F)(F)F)ccc3S(=O)(=O)N(C)c3cccnc32)cc1 ZINC000028637291 IJ Annotated Anodyne C[C@@H](CC(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000028639030 IJ Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N/N=C\c3ccc(O)cc3)c12 ZINC000028641477 IJ Annotated Reactive COc1c(C(=N)NC(C)C)cccc1-c1cc(-c2cccc(C(=N)NC(C)C)c2OC)on1 ZINC000028644398 IJ Annotated Anodyne C[C@]1(O)CC[C@@H]2[C@]34CCC[C@](C)(C(=O)OC3)[C@@H]4CC[C@@]2(C)[C@@H]1Cc1cc(O)ccc1O ZINC000028644562 IJ Annotated Anodyne O=C(O)C[C@@]1(c2ccccc2)C[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1 ZINC000028648272 IJ Annotated Anodyne O=C(O)C[C@]1(c2ccccc2)C[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1 ZINC000028648275 IJ Annotated Anodyne O=C(O)C[C@@]1(c2ccccc2)C[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1 ZINC000028648280 IJ Annotated Anodyne O=C(O)C[C@]1(c2ccccc2)C[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1 ZINC000028648284 IJ Annotated Anodyne COc1cc(Sc2c[nH]c3ccc(I)cc23)cc(OC)c1OC ZINC000028651309 IJ Annotated Anodyne CCC(=O)N(c1ccccc1)C1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000028703175 IJ Annotated Anodyne CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Cl)c(Cl)c1 ZINC000028705109 IJ Annotated Anodyne COc1ccc2c(CN3CCN(c4ccc(O)cc4)CC3)cc3cc4c(cc3c2c1)OCO4 ZINC000028706246 IJ Annotated Bother O=C(O)C[C@@H](c1cccnc1)n1ccc2c(CCc3ccc4c(n3)NCCC4)cccc21 ZINC000028707416 IJ Annotated Anodyne O=C(O)C[C@H](c1cccnc1)n1ccc2c(CCc3ccc4c(n3)NCCC4)cccc21 ZINC000028707417 IJ Annotated Anodyne O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccccc1 ZINC000028708067 IJ Annotated Reactive Nn1c(-c2ccccc2)nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c1=O ZINC000028708391 IJ Annotated Bother Cn1ccc2cc(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)c(Cl)cc21 ZINC000028708566 IJ Annotated Anodyne COc1c(NC(=O)c2cc3ccccc3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710592 IJ Annotated Anodyne O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ccc(C(F)F)cn2)CC1 ZINC000028711615 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(C(=O)/C=C/c3ccc(F)cc3)cc2)cc1 ZINC000028712218 IJ Annotated Mild Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(C(C)(C)C)n2C)CC3)no1 ZINC000028712481 IJ Annotated Anodyne Cc1occc(=O)c1OCCCCCOc1c(C)n(-c2ccc(Cl)cc2)ccc1=O ZINC000028712737 IJ Annotated Anodyne COc1ccc(Cl)c(-c2nnc3sc(Cc4c[nH]c5ccc(OC)cc45)nn23)c1 ZINC000028712882 IJ Annotated Anodyne COc1ccc(Cl)c(-c2nnc3sc(Cc4c(C)[nH]c5ccc(OC)cc45)nn23)c1 ZINC000028712886 IJ Annotated Anodyne O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cnc[nH]2)[C@@H]1c1ccccc1 ZINC000028713118 IJ Annotated Bother O=C1CS[C@H](C23CC4CC(CC(C4)C2)C3)N1c1ccc(I)cc1 ZINC000028713239 IJ Annotated Anodyne O=C1CS[C@@H](C23CC4CC(CC(C4)C2)C3)N1c1ccc(I)cc1 ZINC000028713240 IJ Annotated Anodyne CC(C)N(CCOc1cc2oc3c(c2cc1Cl)C(=O)c1cccnc1C3=O)C(C)C ZINC000028713999 IJ Annotated Clean CC(C)c1c(O)cc(C(=O)Nc2c3sscc-3n(Cc3ccccc3)c2=O)cc1O ZINC000028714474 IJ Annotated Anodyne CCN(CC)CCCCCCCNc1ccc2c3c(nn2CCO)-c2ccccc2C(=O)c13 ZINC000028757451 IJ Annotated Clean CNCc1cc(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1O ZINC000028759305 IJ Annotated Clean COC1(c2cc(F)cc(Sc3ccc4c(c3)OCC/C4=N\OCC#N)c2)CCOCC1 ZINC000028760340 IJ Annotated Mild COC1(c2csc(Sc3ccc4c(c3)OCC/C4=N\OCC#N)c2)CCOCC1 ZINC000028761812 IJ Annotated Mild COC1(c2cc(F)cc(Sc3ccc4c(c3)CC/C4=N\OCC#N)c2)CCOCC1 ZINC000028762621 IJ Annotated Mild COc1ccc2c(c1)c(Sc1ccccc1)c(/C(O)=N/c1nn[nH]n1)n2-c1ccccc1 ZINC000028766034 IJ Annotated Mild COc1cccc(Cn2nc(C(F)(F)F)c(Cc3cc(Cl)c4c(c3)OCO4)c2O)c1 ZINC000028766455 IJ Annotated Anodyne CCN(CCCCOCc1ccc(OC)c(OC)c1)[C@@H]1CCc2cc(OC)ccc2C1 ZINC000028766999 IJ Annotated Anodyne CCN(CCCCOCc1ccc(OC)c(OC)c1)[C@H]1CCc2cc(OC)ccc2C1 ZINC000028767001 IJ Annotated Anodyne CCOCc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1 ZINC000028768938 IJ Annotated Anodyne CC(C)Oc1c(/C(O)=N/c2nn[nH]n2)n(-c2ccccc2)c2cc(Cl)c(Cl)cc12 ZINC000028769116 IJ Annotated Mild CCc1ccc(/C=C2\SC(N[C@@H](C(=O)O)c3ccc(Cl)cc3Cl)=NC2=O)o1 ZINC000028816627 IJ Annotated Clean CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)c3ccc(Cl)cc3Cl)=NC2=O)o1 ZINC000028816629 IJ Annotated Clean CCc1ccc(/C=C2\SC(N[C@H](CC(=O)O)c3ccc(Cl)cc3Cl)=NC2=O)o1 ZINC000028816681 IJ Annotated Clean CCc1ccc(/C=C2\SC(N[C@@H](CC(=O)O)c3ccc(Cl)cc3Cl)=NC2=O)o1 ZINC000028816693 IJ Annotated Clean CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CC[C@H](N)C(F)F)c1ccccc1 ZINC000028818874 IJ Annotated Anodyne O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)[C@H](c1ccsc1)C1CCCCC1 ZINC000028821886 IJ Annotated Anodyne O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)[C@@H](c1ccsc1)C1CCCCC1 ZINC000028821887 IJ Annotated Anodyne CC[C@@H](N=[N+]=[N-])[C@@H](O)[C@]1(Br)C(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1 ZINC000028822310 IJ Annotated Clean CC[C@H](N=[N+]=[N-])[C@H](O)[C@]1(Br)C(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1 ZINC000028822311 IJ Annotated Clean CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Br)cc1 ZINC000028823166 IJ Annotated Anodyne CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Br)cc1 ZINC000028823167 IJ Annotated Anodyne CCc1ccccc1N(Cc1nnc(Cc2ccccc2)o1)S(=O)(=O)c1ccc(C)cc1 ZINC000028823306 IJ Annotated Anodyne C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1 ZINC000028823598 IJ Annotated Mild O=c1c(Br)cc2ccccc2n1Cc1nc2ccccc2n1CCCCF ZINC000028824454 IJ Annotated Anodyne CN1CCN(c2ncc(-c3ccc(C(F)(F)F)cc3)c(N[C@@H]3C[C@@H]4CC[C@H]3C4)n2)CC1 ZINC000028824800 IJ Annotated Anodyne CNCc1cc(C#CCCN2CCN(C(C)C)CC2)ccc1Oc1ccc(SC)cc1 ZINC000028825142 IJ Annotated Mild CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CC[C@@H](N)C(F)F)c1ccccc1 ZINC000028827243 IJ Annotated Anodyne Cc1c(Cc2c(Cl)cccc2Cl)nc(SCC(=O)c2ccc(C#N)cc2)[nH]c1=O ZINC000028862917 IJ Annotated Mild Cc1c(Cc2c(F)cccc2F)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000028862959 IJ Annotated Bother CCOc1ccc(-n2ncc(-c3ccc4cc(CCN5CCC[C@H]5C)ccc4n3)c2C)nn1 ZINC000028863004 IJ Annotated Anodyne COc1ccc(COCCSc2nc([C@@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000028863023 IJ Annotated Anodyne COc1ccc(COCCSc2nc([C@H](C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 ZINC000028863025 IJ Annotated Anodyne CCN(CC)CC(=O)O[C@@H]1CC2(N(C)C)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863244 IJ Annotated Anodyne CCN(CC)CC(=O)O[C@H]1CC2(N(C)C)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000028863245 IJ Annotated Anodyne CCN(CC)CC(=O)O[C@@H]1CC2(N(C)C)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863247 IJ Annotated Anodyne CCN(CC)CC(=O)O[C@H]1CC2(N(C)C)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863249 IJ Annotated Anodyne CC(=O)Oc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1F ZINC000028863410 IJ Annotated Anodyne Cc1ccc([C@@H]2CC(CNN3CCOCC3)=NN2c2ccc(Cl)cc2Cl)s1 ZINC000028866991 IJ Annotated Anodyne Cc1ccc([C@H]2CC(CNN3CCOCC3)=NN2c2ccc(Cl)cc2Cl)s1 ZINC000028866995 IJ Annotated Anodyne Clc1ccc(N2N=C(CNN3CCOCC3)C[C@@H]2c2ccc(Cl)s2)c(Cl)c1 ZINC000028866999 IJ Annotated Anodyne Clc1ccc(N2N=C(CNN3CCOCC3)C[C@H]2c2ccc(Cl)s2)c(Cl)c1 ZINC000028867003 IJ Annotated Anodyne Oc1ccc(-c2ccc(-c3cc(Nc4ccc(CNCC5CC5)nc4)n[nH]3)cc2)c(O)c1 ZINC000028868366 IJ Annotated Anodyne c1cc2oc(CCCCCc3cc4cc(C5=NCCN5)ccc4o3)cc2cc1C1=NCCN1 ZINC000028870145 IJ Annotated Anodyne COc1cc(C(=N)N)cc2cc(CCCCCc3cc4cc(C(=N)N)cc(OC)c4o3)oc12 ZINC000028870149 IJ Annotated Anodyne c1cc2cc(CCCCCc3cc4ccc(C5=NCCN5)cc4o3)oc2cc1C1=NCCN1 ZINC000028870166 IJ Annotated Anodyne CN1CCN(c2cccc3ccc(OCc4noc(-c5ccc(Cl)cc5)n4)cc23)CC1 ZINC000028880812 IJ Annotated Anodyne COc1ccc(SC2=C(Sc3ccc(OC)cc3)C(=O)c3cnncc3C2=O)cc1 ZINC000028881400 IJ Annotated Mild COc1cc(CNC(=S)NCc2ccc(C(C)(C)C)cc2)c(Br)cc1O ZINC000028881916 IJ Annotated Anodyne CC(=O)Nc1ccc(C2(c3ccc(NC(C)=O)cc3)C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000028883960 IJ Annotated Anodyne O=S1(=O)N=C(O)CN1c1csc(-c2cccc(NC3CCCCC3)c2)c1Cl ZINC000028886842 IJ Annotated Anodyne CCCCN(C1=NC(=O)/C(=C/c2ccc(CC)o2)S1)S(=O)(=O)c1ccc(C)cc1 ZINC000028888581 IJ Annotated Clean O=C1O[C@@H](c2ccnc3ccccc23)CN1C1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000028892460 IJ Annotated Anodyne O=C1O[C@H](c2ccnc3ccccc23)CN1C1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000028892465 IJ Annotated Anodyne Cc1cc(O)c(C2=NCCS[C@@H](c3ccc(OC(=O)c4ccccc4)cc3)C2)c(=O)o1 ZINC000028899013 IJ Annotated Anodyne Cc1cc(O)c(C2=NCCS[C@H](c3ccc(OC(=O)c4ccccc4)cc3)C2)c(=O)o1 ZINC000028899019 IJ Annotated Anodyne Cc1ccc(-c2ncc(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3O)nc2-c2ccc(C)cc2)cc1 ZINC000028900281 IJ Annotated Anodyne Cc1ccc(-c2ncc(C(=O)N[C@H]3Cc4ccccc4[C@@H]3O)nc2-c2ccc(C)cc2)cc1 ZINC000028900285 IJ Annotated Anodyne Cc1ccc(-c2ncc(C(=O)N[C@@H]3Cc4ccccc4[C@H]3O)nc2-c2ccc(C)cc2)cc1 ZINC000028900288 IJ Annotated Anodyne Cc1ccc(-c2ncc(C(=O)N[C@H]3Cc4ccccc4[C@H]3O)nc2-c2ccc(C)cc2)cc1 ZINC000028900292 IJ Annotated Anodyne N#CCSc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CCCC3 ZINC000028948862 IJ Annotated Mild N#CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC(F)(F)F)cc1)CCCC3 ZINC000028948889 IJ Annotated Mild COC(=O)c1cccc2c1nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C ZINC000028952144 IJ Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2c(CCCN)cccc21 ZINC000028952151 IJ Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(-c3ncon3)ccc21 ZINC000028952185 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C ZINC000028952197 IJ Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(CN(C)C)ccc21 ZINC000028952215 IJ Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2ccc(CN(C)C)cc21 ZINC000028952242 IJ Annotated Anodyne O=C1C=C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)C[C@]2(Cc2ccccc2)CC1 ZINC000028953633 IJ Annotated Mild O=C1C=C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)C[C@@]2(Cc2ccccc2)CC1 ZINC000028953635 IJ Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@@]3(Cc3ccccc3)C2)cc1 ZINC000028953684 IJ Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccccc3)C2)cc1 ZINC000028953686 IJ Annotated Mild FC(F)(F)c1ccc(-c2cnc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]2)cc1 ZINC000028953846 IJ Annotated Anodyne CSc1cccc(N2C(=O)CN(C3CCN(CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)C2=O)c1 ZINC000028957103 IJ Annotated Anodyne CCCCc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000028957601 IJ Annotated Anodyne CN(CCOc1ccc(-c2cccc(Cl)c2)cc1C(=O)c1cccs1)CC(=O)O ZINC000028958283 IJ Annotated Anodyne CN(CCOc1ccc(-c2ccc(Cl)cc2)cc1C(=O)c1cccs1)CC(=O)O ZINC000028958285 IJ Annotated Anodyne Clc1ccccc1-c1cc(NCOc2cccnc2)n2ncc(Br)c2n1 ZINC000028959114 IJ Annotated Anodyne CC(C)Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1 ZINC000028959595 IJ Annotated Anodyne CCN(C(=O)Nc1ccc(N(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028971938 IJ Annotated Anodyne CCN(C(=O)Nc1ccc(N(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028971942 IJ Annotated Anodyne CC/C(=N\OCc1cccs1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977082 IJ Annotated Mild C[C@@]1(c2ccc(I)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O ZINC000028978365 IJ Annotated Anodyne C[C@]1(c2ccc(I)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O ZINC000028978372 IJ Annotated Anodyne C[N+](C)(C)CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038890 IJ Annotated Bother CN(C)CCCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038898 IJ Annotated Anodyne CC(C)S(=O)(=O)/N=C(\O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12 ZINC000029041420 IJ Annotated Mild C[C@@](C#N)(COc1cc(C#N)ccc1C(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000029043743 IJ Annotated Mild C[C@](C#N)(COc1cc(C#N)ccc1C(F)(F)F)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000029043746 IJ Annotated Mild C[C@@](C#N)(COc1cc(Cl)ccc1Cl)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000029044192 IJ Annotated Mild C[C@](C#N)(COc1cc(Cl)ccc1Cl)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000029044194 IJ Annotated Mild CC(C)(C)c1nc2cc(S(=O)(=O)CCCC(F)(F)F)ccc2n1CC1CCOCC1 ZINC000029046564 IJ Annotated Anodyne O=C1C(Cl)=C(Sc2ccc(Br)cc2)C(=O)c2[nH]c(-c3ccccn3)nc21 ZINC000029047591 IJ Annotated Mild O=C1C(Cl)=C(Nc2ccc(OC(F)(F)F)cc2)C(=O)c2[nH]c(-c3ccccc3)nc21 ZINC000029048892 IJ Annotated Mild COC(=O)c1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000029049779 IJ Annotated Anodyne Fc1ccc(C2(c3ccc(F)cc3)Oc3cc(F)c(CN4CCOCC4)cc3O2)cc1 ZINC000029054721 IJ Annotated Anodyne O[C@H](Cc1ccccc1)CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1 ZINC000029056521 IJ Annotated Anodyne in-vivo O[C@@H](Cc1ccccc1)CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1 ZINC000029056526 IJ Annotated Anodyne COc1ccc(N(C)C(=O)/C=C2\c3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1 ZINC000029058592 IJ Annotated Anodyne CC1=C/C(=C2\C(=O)N(c3ccccc3)N=C2C)OC(=O)N1c1ccc(Br)cc1 ZINC000029060874 IJ Annotated Clean CCCOc1ccc2c(C)cc(=O)oc2c1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000029061635 IJ Annotated Anodyne Cc1[nH]c2ccccc2c1Cc1c(OC(=O)CCCC(=O)O)ccc2c(C)cc(=O)oc12 ZINC000029062449 IJ Annotated Anodyne Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccc(Cl)cc1)C2 ZINC000029123207 IJ Annotated Clean C[C@@H]1Cc2c(Cl)c(O)c(O)c(Cl)c2CN1C(=S)NCCc1ccc(Cl)cc1 ZINC000029123282 IJ Annotated Clean C[C@H]1Cc2c(Cl)c(O)c(O)c(Cl)c2CN1C(=S)NCCc1ccc(Cl)cc1 ZINC000029123283 IJ Annotated Clean Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccc(Cl)cc1)CC2 ZINC000029123384 IJ Annotated Clean Oc1c(O)c(Cl)c2c(c1Cl)CCCN(C(=S)NCCc1ccc(Cl)cc1)C2 ZINC000029123580 IJ Annotated Clean CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Br)cc3F)n2C)cc1 ZINC000029124802 IJ Annotated Anodyne CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(Br)cc3)n2C)cc1 ZINC000029125251 IJ Annotated Anodyne Cn1c(CC(=O)Nc2ccc(Cl)cc2)cs/c1=N\c1cccc(Br)c1 ZINC000029125254 IJ Annotated Anodyne CCOc1ccc(NC(=O)Cc2cs/c(=N\c3cccc(Br)c3)n2C)cc1 ZINC000029125283 IJ Annotated Anodyne COc1cc2c(cc1CCCO)NC(=O)c1ccc(-c3ccc([N+](=O)[O-])c(OC)c3)cc1N2 ZINC000029125560 IJ Annotated Bother COc1cc2c(cc1CCCO)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 ZINC000029125949 IJ Annotated Bother CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(Br)c(C)[nH]c12 ZINC000029128278 IJ Annotated Anodyne CC(C)(C)SCCNC(=S)c1cccc(C(=S)NCCSC(C)(C)C)n1 ZINC000029128655 IJ Annotated Anodyne O=C1O[C@H]([C@H](O)COc2ccc(Cl)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000029129149 IJ Annotated Anodyne O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2cc(F)ccc2O)N1c1cccc(F)c1 ZINC000029129191 IJ Annotated Clean O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2cccc(F)c2O)N1c1cccc(F)c1 ZINC000029129192 IJ Annotated Clean O=C1O[C@H]([C@H](O)CCc2ccccc2)[C@@H](c2ccc(F)cc2O)N1c1cccc(F)c1 ZINC000029129235 IJ Annotated Clean COc1cccc([C@@H]2[C@@H]([C@H](O)CCc3ccccc3)OC(=O)N2c2cccc(F)c2)c1O ZINC000029129236 IJ Annotated Clean COc1ccc(O)c([C@@H]2[C@@H]([C@H](O)CCc3ccccc3)OC(=O)N2c2cccc(F)c2)c1 ZINC000029129237 IJ Annotated Clean COc1ccc([C@@H]2[C@@H]([C@H](O)CCc3ccccc3)OC(=O)N2c2cccc(F)c2)c(O)c1 ZINC000029129307 IJ Annotated Clean COc1ccc([C@@H]2[C@@H]([C@H](O)CCc3ccccc3)OC(=O)N2c2ccc(F)cc2)c(O)c1 ZINC000029129391 IJ Annotated Clean CS(=O)(=O)c1ccc(-c2nc(NCc3ccc(Cl)s3)cc(C(F)(F)F)n2)cc1 ZINC000029131810 IJ Annotated Anodyne Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1cccc(Cl)c1)C2 ZINC000029132616 IJ Annotated Clean Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccccc1Cl)C2 ZINC000029132673 IJ Annotated Clean CS(=O)(=O)c1ccc(-c2nc(SCc3cccs3)cc(C(F)(F)F)n2)cc1 ZINC000029132825 IJ Annotated Anodyne C[C@@H]1CC(=O)c2c(c3c(c4c(-c5ccc([N+](=O)[O-])cc5)cc(=O)oc24)OC(C)(C)C=C3)O1 ZINC000029133037 IJ Annotated Bother C[C@H]1CC(=O)c2c(c3c(c4c(-c5ccc([N+](=O)[O-])cc5)cc(=O)oc24)OC(C)(C)C=C3)O1 ZINC000029133039 IJ Annotated Bother CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](CBr)CC3=O ZINC000029133651 IJ Annotated Reactive CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](CBr)CC3=O ZINC000029133653 IJ Annotated Reactive C[C@]1(O)CC[C@@H]2[C@]34CCC[C@](C)(C(=O)OC3)[C@H]4CC[C@@]2(C)[C@@H]1Cc1cc(O)ccc1O ZINC000029134161 IJ Annotated Anodyne O=C1c2ccccc2[C@@H]2[C@H](C(=O)O)[C@H](C(=O)O)[C@@H]2c2ccc(-c3ccc(Cl)cc3)cc21 ZINC000029204292 IJ Annotated Anodyne CC(C)NCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C#N)c1=O ZINC000029207054 IJ Annotated Mild O=c1c(-c2ccc(Br)cc2)c(-c2ccccc2)c(-c2ccccc2)nn1CCO ZINC000029208172 IJ Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CC[N+](C)(C)C)c1=O ZINC000029208582 IJ Annotated Bother CCCC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCO)c1=O ZINC000029209316 IJ Annotated Anodyne O=C(N=c1c2c([nH]c3ccccc13)N(Cc1ccccc1)CC2)c1c(F)ccc(F)c1F ZINC000029213066 IJ Annotated Anodyne CC(C)C(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCO)c1=O ZINC000029213133 IJ Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(F)cc2)n2c1SCC2 ZINC000029218080 IJ Annotated Anodyne CC(=O)OCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C(C)=O)c1=O ZINC000029229791 IJ Annotated Anodyne CCC(=O)O[C@H](CC)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1 ZINC000029240832 IJ Annotated Anodyne CCC(=O)O[C@@H](CC)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1ccccn1 ZINC000029240841 IJ Annotated Anodyne COc1cc2c(cc1OC)-c1cc(N(c3c(C)cc(C)cc3C)C(C)C)nc(=O)n1CC2 ZINC000029241191 IJ Annotated Anodyne COc1cc2c(cc1OC)-c1cc(Nc3ccc(C)c(Cl)c3Cl)nc(=O)n1CC2 ZINC000029246840 IJ Annotated Anodyne Cc1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CC(F)(F)F)[C@@H]3c2ccc(C)cc2)cc1 ZINC000029254276 IJ Annotated Anodyne Cc1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CC(F)(F)F)[C@@H]3c2ccc(C)cc2)cc1 ZINC000029254282 IJ Annotated Anodyne Cc1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CC(F)(F)F)[C@H]3c2ccc(C)cc2)cc1 ZINC000029254287 IJ Annotated Anodyne Cc1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CC(F)(F)F)[C@H]3c2ccc(C)cc2)cc1 ZINC000029254295 IJ Annotated Anodyne CC(C)N(CCN(C(=O)N(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)n1)C(C)C ZINC000029400896 IJ Annotated Anodyne O=C1N(CCCCCOc2ccc(Br)cc2)CCN1c1ccnc(Cl)c1 ZINC000029401229 IJ Annotated Anodyne O=C1c2c(c(=O)n3nc(C4CCCCC4)cc3n2Cc2ccccc2)CN1C1CCCCC1 ZINC000029406010 IJ Annotated Anodyne O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2F)O1 ZINC000029408756 IJ Annotated Anodyne O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2F)O1 ZINC000029408802 IJ Annotated Anodyne CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)O)c-2cc1 ZINC000029410469 IJ Annotated Anodyne Cc1cc(NC(=O)C(=O)c2cn(Cc3cc(-c4ccccc4)no3)c3ccccc23)sn1 ZINC000029416269 IJ Annotated Anodyne N=c1sc(-c2ccnc([N+](=O)[O-])c2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029465372 IJ Annotated Bother CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(F)cc2nc2c(OC)cccc12 ZINC000029470341 IJ Annotated Clean NC(=O)N1C(=O)/C(=C(\OC(=O)c2ccccc2)c2cccs2)c2cc(F)c(Cl)cc21 ZINC000029470570 IJ Annotated Anodyne CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2c(OC)cccc12 ZINC000029470885 IJ Annotated Clean CC(=O)OCc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 ZINC000029471581 IJ Annotated Anodyne CN(C)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 ZINC000029474928 IJ Annotated Anodyne CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(OC)cc2nc2c(C)cccc12 ZINC000029476387 IJ Annotated Clean CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)Cc1ccccc1[C@H](CC(=O)O)C2 ZINC000029481976 IJ Annotated Anodyne CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)Cc1ccccc1[C@@H](CC(=O)O)C2 ZINC000029481979 IJ Annotated Anodyne COC(=O)c1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 ZINC000029482223 IJ Annotated Anodyne C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@H]2N(C)C1 ZINC000029488932 IJ Annotated Anodyne C[C@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@H]2N(C)C1 ZINC000029488935 IJ Annotated Anodyne C[C@H](OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@H]2N(C)C1)[C@@H](C)O ZINC000029488938 IJ Annotated Anodyne C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@H]2N(C)C1 ZINC000029488941 IJ Annotated Anodyne Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc32)cn1 ZINC000029489303 IJ Annotated Anodyne CCOC(=O)c1ccc(N/C(=N/c2cccc([C@@H]3CN4CCSC4=N3)c2)SC)cc1 ZINC000029547263 IJ Annotated Mild CCOC(=O)c1ccc(N/C(=N/c2cccc([C@H]3CN4CCSC4=N3)c2)SC)cc1 ZINC000029547267 IJ Annotated Mild N[C@@H](COCc1cccc(I)c1)C(c1ccccc1)c1ccccc1 ZINC000029551667 IJ Annotated Anodyne N[C@H](COCc1cccc(I)c1)C(c1ccccc1)c1ccccc1 ZINC000029551668 IJ Annotated Anodyne CN(C(=O)[C@@H]1CCc2csc3cccc1c23)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000029553885 IJ Annotated Anodyne CN(C(=O)[C@H]1CCc2csc3cccc1c23)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000029553888 IJ Annotated Anodyne C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1c1nc2ccccc2s1)OCO3 ZINC000029561659 IJ Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@H]3C=C[C@@H](COC(=O)c4ccccc4)O3)c(Cl)c2c1 ZINC000029572005 IJ Annotated Anodyne CC(=O)S[C@H]1CC(=O)C=C2[C@@H]3C[C@@H]3[C@@H]3[C@H](CC[C@]4(C)[C@@H]3[C@@H]3C[C@H]3[C@@]43CCC(=O)O3)[C@@]21C ZINC000299809691 IJ Annotated Mild CC(=O)S[C@H]1CC(=O)C=C2[C@@H]3C[C@@H]3[C@@H]3[C@H](CC[C@]4(C)[C@@H]3[C@@H]3C[C@@H]3[C@@]43CCC(=O)O3)[C@]21C ZINC000299809692 IJ Annotated Mild CC(=O)S[C@H]1CC(=O)C=C2[C@@H]3C[C@@H]3[C@@H]3[C@H](CC[C@]4(C)[C@@H]3[C@@H]3C[C@@H]3[C@@]43CCC(=O)O3)[C@@]21C ZINC000299809693 IJ Annotated Mild CC(=O)S[C@H]1CC(=O)C=C2[C@@H]3C[C@@H]3[C@@H]3[C@H](CC[C@]4(C)[C@@H]3[C@@H]3C[C@H]3[C@@]43CCC(=O)O3)[C@]21C ZINC000299809694 IJ Annotated Mild CC(=O)S[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 ZINC000299809945 IJ Annotated Mild CC(=O)S[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 ZINC000299809946 IJ Annotated Mild CC(=O)S[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 ZINC000299809947 IJ Annotated Mild CC(=O)S[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 ZINC000299809948 IJ Annotated Mild CC(=O)S[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 ZINC000299809949 IJ Annotated Mild CC(=O)S[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 ZINC000299809950 IJ Annotated Mild Cc1ccc([C@H]2N[C@H](c3ccc(C)cc3)[C@H]3CCC[C@H]2C3=N/N=C2/NC(=O)CS2)cc1 ZINC000299810626 IJ Annotated Mild C=C(C)[C@@H]1CC=C(CN2CC[C@H](N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)CC1 ZINC000299810744 IJ Annotated Mild CC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000299811167 IJ Annotated Anodyne Cc1ccc(Cl)cc1N=C1C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O ZINC000299813329 IJ Annotated Mild O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1c[nH]c2ccccc12 ZINC000299816568 IJ Annotated Reactive O=C1C[C@]2(CC[C@@](O)(c3ccccc3)[C@H](C(=O)c3ccccc3)C2)C(=O)c2ccccc2N1 ZINC000299816842 IJ Annotated Anodyne O=[N+]([O-])c1ccc(N=C(O)c2nn(-c3ccccc3)cc2N=Cc2cccc(O)c2)cc1 ZINC000299817972 IJ Annotated Mild O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc(C(F)(F)F)cc1 ZINC000299818920 IJ Annotated Anodyne O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc(C(F)(F)F)cc1 ZINC000299818924 IJ Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)OCc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000299818926 IJ Annotated Anodyne Oc1ccccc1/C=N/c1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)s1 ZINC000299819008 IJ Annotated Mild O=c1[nH]c2ncc3ccc(CNc4ccc5ncccc5c4)nc3c2n1CCc1ccccc1 ZINC000299819050 IJ Annotated Anodyne CO[C@@]12CCN(Cc3ccccc3)C[C@H]1[C@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2 ZINC000299819586 IJ Annotated Reactive COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)c2nc3cc(F)ccc3[nH]2)cc1OC ZINC000299820944 IJ Annotated Anodyne O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@]12c1ccc(Cl)cc1 ZINC000299820995 IJ Annotated Anodyne O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 ZINC000299821002 IJ Annotated Anodyne O=c1c2cn(Cc3ccc(-n4cccn4)cc3)c3ccccc3c-2nn1Cc1ccccc1 ZINC000299821580 IJ Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(CCC(C)C)c(O)c(C(=O)[C@@H](C)CC)c2O)c(O)c1C ZINC000299822254 IJ Annotated Anodyne CCOc1cc(Br)c(Br)c(/C=N/c2ccc3[nH]cnc3c2)c1O ZINC000299822325 IJ Annotated Mild COc1cc(Br)c(Br)c(/C=N/c2ccc3[nH]cnc3c2)c1O ZINC000299822557 IJ Annotated Mild CN(CCCn1c(=O)oc2cc3c(cc21)[C@H](c1ccccc1)CC3=O)Cc1ccccc1 ZINC000299823720 IJ Annotated Anodyne CN(CCCn1c(=O)oc2cc3c(cc21)[C@@H](c1ccccc1)CC3=O)Cc1ccccc1 ZINC000299823721 IJ Annotated Anodyne Cn1c2c(c3ccccc31)CC(=O)N(c1ccc(Cl)cc1)[C@@H]2C(=O)NC1CCCCC1 ZINC000299824106 IJ Annotated Anodyne Cn1c2c(c3ccccc31)CC(=O)N(c1ccc(Cl)cc1)[C@H]2C(=O)NC1CCCCC1 ZINC000299824114 IJ Annotated Anodyne N#Cc1ccc(-c2ccc(-c3nccn3-c3ccc(N4CCNCC4)cc3Cl)o2)cc1 ZINC000299824371 IJ Annotated Mild Cn1c2c(c3ccccc31)CC(=O)N(c1ccc(F)c(Cl)c1)[C@@H]2C(=O)NC(C)(C)C ZINC000299824619 IJ Annotated Anodyne Cn1c2c(c3ccccc31)CC(=O)N(c1ccc(F)c(Cl)c1)[C@H]2C(=O)NC(C)(C)C ZINC000299824626 IJ Annotated Anodyne O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)c1ccccc1 ZINC000299824870 IJ Annotated Reactive COc1ccc(-c2nc3n(n2)-c2cc(C)ccc2N(C(=O)OCc2ccccc2)C3)cc1 ZINC000299824881 IJ Annotated Anodyne COc1c(Br)cc(C)cc1C1=C(c2ccccc2)C2(C=CC(=O)C=C2)OC1=O ZINC000299825228 IJ Annotated Mild Oc1ccccc1/C=N/c1nnc(SCc2nnc(-c3ccccc3Cl)o2)s1 ZINC000299825646 IJ Annotated Mild Cn1c2c(c3ccccc31)CCC(=O)N(c1cccc(F)c1)[C@H]2C(=O)NC1CCCCC1 ZINC000299825851 IJ Annotated Anodyne Cn1c2c(c3ccccc31)CCC(=O)N(c1cccc(F)c1)[C@@H]2C(=O)NC1CCCCC1 ZINC000299825853 IJ Annotated Anodyne COc1cc(-c2nc(N3CCC[C@H](C(F)(F)F)C3)n(C(C)C)n2)ccc1-n1cnc(C)c1 ZINC000299826116 IJ Annotated Anodyne COc1cc(-c2nc(N3CCC[C@@H](C(F)(F)F)C3)n(C(C)C)n2)ccc1-n1cnc(C)c1 ZINC000299826119 IJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1ccco1)C(=O)c1ccc(Cn2oc3ccccc3c2=O)cc1 ZINC000299826455 IJ Annotated Anodyne COc1ccc(/C=N\Nc2ncnc3scc(-c4ccc([N+](=O)[O-])cc4)c23)cc1OC ZINC000299826577 IJ Annotated Mild Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(F)c(Cl)c1)[C@H]2C(=O)NC(C)(C)C ZINC000299826619 IJ Annotated Anodyne Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(F)c(Cl)c1)[C@@H]2C(=O)NC(C)(C)C ZINC000299826626 IJ Annotated Anodyne CC(C)(C)NC(=S)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299826640 IJ Annotated Reactive O=C(NNC(=O)c1cccs1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299826794 IJ Annotated Reactive COc1ccc(-c2cc3c4c(I)cccc4n(C(C)=O)c3nn2)cc1 ZINC000299826840 IJ Annotated Anodyne Fc1cccc(Cc2c3[n+](cc4c5c(ccc24)OCO5)CCc2cc4c(cc2-3)OCO4)c1 ZINC000299827128 IJ Annotated Anodyne COc1ccc(-c2nc(CS(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cc1 ZINC000299827416 IJ Annotated Anodyne COc1ccc(-c2cc3c4c(Br)cccc4n(C(C)=O)c3nn2)cc1OC ZINC000299827700 IJ Annotated Anodyne Cc1nc2ccc(Cl)cc2c(=O)n1CC(=O)Nc1cc(C(C)(F)F)ccc1Cl ZINC000299827797 IJ Annotated Anodyne Cc1cc(C)c(Oc2cc(Nc3ccc(C#N)cc3)ncc2C(=O)NCCN(C)C)c(C)c1 ZINC000299828580 IJ Annotated Mild COc1cc([C@@H](CC=C(C)C)OC(=O)CC(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299829638 IJ Annotated Mild COc1cc([C@H](CC=C(C)C)OC(=O)CC(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299829641 IJ Annotated Mild COc1ccc(-n2c(Sc3sc(N)nc3C)nc3ccc(Cl)cc3c2=O)cc1 ZINC000299829773 IJ Annotated Anodyne COCCNC(=O)c1cnc(Nc2ccc(C#N)cc2)cc1Oc1c(C)cc(C)cc1C ZINC000299830428 IJ Annotated Mild Cc1cc(C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)ncc1C(=O)NCCC#N ZINC000299830528 IJ Annotated Mild FC(F)(F)Oc1ccc(Cn2cc(CCCOc3cccc4cccnc34)nn2)cc1 ZINC000299830620 IJ Annotated Anodyne Cc1nn(-c2ccccc2)c(OC2CCCC2)c1/C=N/Nc1nc2ccccc2nc1O ZINC000299831294 IJ Annotated Mild Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(F)cc1)[C@H]2C(=O)NC1CCCCC1 ZINC000299832377 IJ Annotated Anodyne Cn1c2c(c3ccccc31)CCC(=O)N(c1ccc(F)cc1)[C@@H]2C(=O)NC1CCCCC1 ZINC000299832382 IJ Annotated Anodyne Cc1cc(NC(=O)N2C[C@H]3C[C@@H](c4ccccc4C(F)(F)F)C[C@H]3C2)c(C(=O)O)cn1 ZINC000299832705 IJ Annotated Anodyne Cc1ccc(C)c(N2C(=O)Cc3c(n(C)c4ccccc34)[C@@H]2C(=O)NC2CCCCC2)c1 ZINC000299832769 IJ Annotated Anodyne Cc1ccc(C)c(N2C(=O)Cc3c(n(C)c4ccccc34)[C@H]2C(=O)NC2CCCCC2)c1 ZINC000299832771 IJ Annotated Anodyne COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(OC)c(Cl)c3)CC1)c1cccn1-2 ZINC000299832812 IJ Annotated Anodyne Oc1nc2sc(Cl)cc2c(N[C@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 ZINC000299832813 IJ Annotated Anodyne Oc1nc2sc(Cl)cc2c(N[C@@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 ZINC000299832815 IJ Annotated Anodyne COc1cc([C@@H](CC=C(C)C)OC(=O)C=C(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299833306 IJ Annotated Mild COc1cc([C@H](CC=C(C)C)OC(=O)C=C(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\O ZINC000299833307 IJ Annotated Mild COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3ccccc3F)nn2)c1CC=C(C)C ZINC000299833574 IJ Annotated Anodyne C[C@@H](CC[C@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]21C)CC(=O)OCCCN1CCOCC1 ZINC000299834075 IJ Annotated Anodyne O=C(NCc1ccccc1)NCc1cnc2scc(-c3ccc(Br)cc3)n12 ZINC000299834503 IJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C(C=O)[C@]2(C=O)[C@@H](OC)C[C@H]1C ZINC000299835076 IJ Annotated Reactive C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C(C=O)[C@]2(C=O)[C@@H](OC)C[C@H]1C ZINC000299835078 IJ Annotated Reactive CC(C)C[C@H](NC(=O)Cn1ccc2cc(Nc3ccc4cnccc4c3)ccc21)C(=O)O ZINC000299835296 IJ Annotated Anodyne Cc1ccc(C(=O)Nc2cccc3cc(Oc4cncc(C(N)=O)c4)ccc23)cc1[N+](=O)[O-] ZINC000299835698 IJ Annotated Bother COc1ccc(C(=O)c2ccn(-c3cc(OC)c(OC)c(OC)c3)c2)cc1OC(C)C ZINC000299835901 IJ Annotated Anodyne Cc1ccc(N2C(=O)[C@@H](NC(=S)Nc3ccc(F)cc3)[C@H]2/C=C/c2ccccc2)cc1 ZINC000299835914 IJ Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@H]3C(C)(C)OC(=O)CC[C@]3(C)[C@H]1C2 ZINC000299836921 IJ Annotated Anodyne C=C[C@@H](O)C#CC#C[C@H](/C=C\CCCCCCC)OC(=O)/C=C/c1ccc(O)c(OC)c1 ZINC000299837039 IJ Annotated Mild c1ccc2c(Cc3nc(-c4ccc(-c5ccc(N6CCOCC6)cc5)o4)no3)c[nH]c2c1 ZINC000299837043 IJ Annotated Anodyne O=C1c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Cl)cc21 ZINC000299837346 IJ Annotated Anodyne CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3ccc(Br)cc3n2)c1 ZINC000299837845 IJ Annotated Anodyne Nc1nc(-c2ccc(Br)cc2)cn1/N=C/c1cc2ccccc2nc1Cl ZINC000299838274 IJ Annotated Mild COc1ccc(-c2nc([C@@H](C)S(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cn1 ZINC000299838411 IJ Annotated Anodyne COc1ccc(-c2nc([C@H](C)S(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cn1 ZINC000299838412 IJ Annotated Anodyne COC(=O)C1=C(C)Oc2c(cc(C(C)(C)C)cc2C(C)(C)C)[C@@H]1[C@H](C(C)=O)C(=O)OC ZINC000299838558 IJ Annotated Anodyne COc1ccc(-c2nc([C@H](F)S(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cn1 ZINC000299839274 IJ Annotated Anodyne COc1ccc(-c2nc([C@@H](F)S(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cn1 ZINC000299839275 IJ Annotated Anodyne C=CCN1C(=O)S/C(=C\c2cc(Br)c(OCCCC)cc2OC)C1=O ZINC000299840065 IJ Annotated Mild COc1ccc(N(CC(=O)NCCCSc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000299840457 IJ Annotated Anodyne CO[C@@]12CCN(Cc3ccccc3)C[C@H]1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 ZINC000299840792 IJ Annotated Reactive COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(C)cc3Br)c[n+]12 ZINC000299844548 IJ Annotated Bother Cc1c2c(cc[n+]1CCC(C)C)c1ccc(OCCC(C)C)cc1n2CCc1nnn[nH]1 ZINC000299844671 IJ Annotated Anodyne COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(F)cc3Br)c[n+]12 ZINC000299844752 IJ Annotated Bother CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C[C@H]5CCCC[C@@]54C(C)=O)[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000299845146 IJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000299845149 IJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C[C@H]5CCCC[C@]54C(C)=O)[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000299845152 IJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000299845156 IJ Annotated Anodyne CN1C[C@@H]2[C@@H]3CN(C)[C@@H]4C[C@]3(C(=O)CC3CCCCC3)[C@@H]1C[C@]24C(=O)CC1CCCCC1 ZINC000299846939 IJ Annotated Anodyne CC1(C)OC(=O)N([C@@H]2CC[C@@H](NC(=O)c3ccnc4cccnc34)CC2)[C@H]1c1ccccc1 ZINC000299848097 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)[C@@]2(c4ccccc4)CCN(C)[C@@H](C3)[C@H]2C)cc1 ZINC000299848343 IJ Annotated Anodyne COC1=C2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)C[C@H]4O[C@]43[C@]2(C)C1=O ZINC000299848520 IJ Annotated Mild CC1(C)OC(=O)N([C@@H]2CC[C@@H](n3c(=O)[nH]c4c(C#N)cccc43)CC2)[C@H]1c1ccccc1 ZINC000299849096 IJ Annotated Mild CN1CCN(CCCN2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)CC1 ZINC000299849204 IJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)C(=C(/O)OCC)/C(=N/c2ccc(C)cc2)C[C@]1(C)O ZINC000299849687 IJ Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccccc2)C(=C(/O)OCC)/C(=N/c2ccc(C)cc2)C[C@]1(C)O ZINC000299849690 IJ Annotated Mild COc1ccc(/C(C)=N/OCC(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1 ZINC000299849708 IJ Annotated Mild O=c1n(Cc2nc3cc(Cl)ccn3c2NC2CCCCC2)c2cnccc2n1C1CC1 ZINC000299850590 IJ Annotated Anodyne COc1ccc(Br)cc1/C=C\C(=O)Nc1ccc([C@@H]2CCCN(C)C2)cc1 ZINC000299853611 IJ Annotated Anodyne COc1ccc(Br)cc1/C=C\C(=O)Nc1cccc([C@@H]2CCCN(C)C2)c1 ZINC000299853626 IJ Annotated Anodyne Cc1cccc(C)c1-c1onc(C)c1NC(=O)NCc1ccc(OC2CCOCC2)nc1 ZINC000299854395 IJ Annotated Anodyne CCc1cnc(-n2nc(OCCOCc3ccccc3)c(Cc3ccccc3)c2C)nc1 ZINC000299854804 IJ Annotated Anodyne Clc1ccc(Nc2nc(NCc3ccccc3)nc(NN=Cc3ccccn3)n2)cc1 ZINC000299857650 IJ Annotated Mild C[C@@H]1[C@@H](CC(=O)O)c2cc(OCc3ccncc3)ccc2N1C(=O)c1ccc(Cl)cc1 ZINC000299857867 IJ Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Cl)cc3)c(C(=O)C(=O)N3CCCCC3)[nH]c2c1 ZINC000299858205 IJ Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)C(=O)N1CCCCC1 ZINC000299858320 IJ Annotated Anodyne CC[C@H](C)[C@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCCCC2)C(=N)N1C[C@H](C)CC ZINC000299858349 IJ Annotated Anodyne CC[C@H](C)CN1C(=N)N(CCCC[C@H]2CNC(=N)N2CC2CCCCC2)C[C@@H]1[C@@H](C)CC ZINC000299858351 IJ Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@@H]2[C@@H]1C(=O)[C@H]1C[C@H](Br)C3(OCCO3)[C@H]12 ZINC000299859059 IJ Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2[C@H]3[C@H](C[C@@H](Br)C34OCCO4)C(=O)[C@H]21 ZINC000299859060 IJ Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]2[C@H]3[C@H](C[C@H](Br)C34OCCO4)C(=O)[C@H]21 ZINC000299859061 IJ Annotated Reactive CC(C)c1cc(C(=O)N2CCc3c(sc(NCc4ccc(Cl)cc4)c3C#N)C2)[nH]n1 ZINC000299859142 IJ Annotated Mild O=c1c2ccccc2n(Cc2cn(Cc3ccccc3)nn2)c2ccc(Br)cc12 ZINC000299859260 IJ Annotated Bother CCC[C@@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCC(C)CC2)C(=N)N1C[C@H](C)CC ZINC000299860399 IJ Annotated Anodyne CCC[C@@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCC(C)CC2)C(=N)N1C[C@@H](C)CC ZINC000299860401 IJ Annotated Anodyne CCOC(=O)c1sc2ccc(NCc3nc[nH]c3C)cc2c1NC(=O)c1ccccc1 ZINC000299860573 IJ Annotated Anodyne CN(C)CCCn1c(/C=C/c2ccccc2Br)nc2cc(Cl)ccc2c1=O ZINC000299860903 IJ Annotated Anodyne CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc3cc4nc5ccccc5nc4cc3n12 ZINC000299860948 IJ Annotated Bother C[C@H]1CN(c2ccc(C(F)(F)F)c(Cl)c2)C(=O)c2c(-c3ccnc(C#N)c3)cnn21 ZINC000299860986 IJ Annotated Mild COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)C(=O)NNc1ccccc1 ZINC000299862333 IJ Annotated Reactive CCC[C@@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCCCC2)C(=N)N1C[C@@H](C)CC ZINC000299863463 IJ Annotated Anodyne CCC[C@@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCCCC2)C(=N)N1C[C@H](C)CC ZINC000299863464 IJ Annotated Anodyne N#Cc1ccc(CN2C(=O)/C(=C/C(=O)Nc3ccc4ncccc4c3)c3ccccc32)cc1 ZINC000299863493 IJ Annotated Mild CCOC(=O)c1sc2ccc(NCc3c[nH]cn3)cc2c1NC(=O)c1ccc(C)cc1 ZINC000299863831 IJ Annotated Anodyne COc1ccc(C(=O)/C(=C/c2c(F)c(F)c(F)c(F)c2F)C[C@@H](C)OC(C)=O)cc1 ZINC000299864189 IJ Annotated Mild COc1ccc(C(=O)/C(=C/c2c(F)c(F)c(F)c(F)c2F)C[C@H](C)OC(C)=O)cc1 ZINC000299864190 IJ Annotated Mild O=C(/C=C/C=C/c1ccc2c(c1)OCO2)OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000299864209 IJ Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(C#N)cc4)nc3c2)c(C(F)F)n1 ZINC000299864724 IJ Annotated Mild CCN(CC)C(=O)Cc1c(-c2ccc(OCC3CCCC3)cc2)nn2c(C)cc(C)nc12 ZINC000299865207 IJ Annotated Anodyne N#Cc1cccc(CN2C(=O)/C(=C/C(=O)Nc3ccc4ncccc4c3)c3ccccc32)c1 ZINC000299865256 IJ Annotated Mild Nc1nc(N)c2c(n1)N[C@@H](c1sc(Cl)nc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000299865584 IJ Annotated Anodyne Nc1nc(N)c2c(n1)N[C@H](c1sc(Cl)nc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000299865585 IJ Annotated Anodyne COc1ccccc1-c1cc(NC(=O)C2(C(=O)O)CCCCC2)nn1-c1ccc(F)cc1 ZINC000299866366 IJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@H]2c2ccccc2Cl)cc1 ZINC000299866375 IJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2ccccc2Cl)cc1 ZINC000299866376 IJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2ccccc2Cl)cc1 ZINC000299866377 IJ Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2ccccc2Cl)cc1 ZINC000299866378 IJ Annotated Anodyne O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1ccc(Br)cc1 ZINC000299868026 IJ Annotated Reactive CCCCCCCCSC(=S)N1CCN(C(=S)NC(=O)c2ccccc2)CC1 ZINC000299868475 IJ Annotated Mild COc1ccc2cc([C@H](C)c3nc4s/c(=C\C=C\c5ccccc5)c(=O)n4n3)ccc2c1 ZINC000299869650 IJ Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4s/c(=C\C=C\c5ccccc5)c(=O)n4n3)ccc2c1 ZINC000299869651 IJ Annotated Anodyne COc1ccc(C(C)=NOCC(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)cc1 ZINC000299872393 IJ Annotated Mild C[C@H]1[C@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299873702 IJ Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299873703 IJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)s1 ZINC000299874719 IJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)s1 ZINC000299874720 IJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)s1 ZINC000299874721 IJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)s1 ZINC000299874722 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299874887 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299874888 IJ Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299874908 IJ Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299874909 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299875309 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299875310 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299875311 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299875312 IJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccco2)C1 ZINC000299875348 IJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2ccco2)C1 ZINC000299875349 IJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2ccco2)C1 ZINC000299875350 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299875590 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299875591 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299876210 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299876211 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299876212 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299876213 IJ Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 ZINC000299876310 IJ Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 ZINC000299876311 IJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2ccco2)C1 ZINC000299876582 IJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2ccco2)C1 ZINC000299876583 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1cccs1 ZINC000299876671 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1cccs1 ZINC000299876672 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1cccs1 ZINC000299876673 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1cccs1 ZINC000299876674 IJ Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1)c1ccccc1 ZINC000299876724 IJ Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1)c1ccccc1 ZINC000299876725 IJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299877164 IJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000299877165 IJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299877166 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299877370 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299877371 IJ Annotated Anodyne COCCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 ZINC000299877698 IJ Annotated Anodyne COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 ZINC000299877699 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccccc1F ZINC000299877771 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccccc1F ZINC000299877772 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccccc1F ZINC000299877773 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccccc1F ZINC000299877774 IJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299877867 IJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000299877868 IJ Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@H](C)CC)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000299877934 IJ Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H](C)CC)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000299877935 IJ Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299878281 IJ Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299878282 IJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299878419 IJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299878420 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(F)cc1 ZINC000299878457 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(F)cc1 ZINC000299878458 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(F)cc1 ZINC000299878459 IJ Annotated Anodyne COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(F)cc1 ZINC000299878460 IJ Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299878612 IJ Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299878613 IJ 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(Cl)cc1 ZINC000299878717 IJ 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(Cl)cc1 ZINC000299878718 IJ 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(Cl)cc1 ZINC000299878719 IJ 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(Cl)cc1 ZINC000299878720 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299878860 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299878861 IJ Annotated Anodyne COCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000299879590 IJ Annotated Anodyne COCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000299879591 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299880071 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299880072 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299880167 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299880168 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299880169 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299880290 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299880291 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299880865 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299880866 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299880867 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299880868 IJ Annotated Anodyne CCN(C)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299881061 IJ Annotated Anodyne CCN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299881062 IJ Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2Cl)OCO3)C[C@H]1C ZINC000299881322 IJ Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2Cl)OCO3)C[C@@H]1C ZINC000299881323 IJ Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2Cl)OCO3)C[C@H]1C ZINC000299881324 IJ Annotated Anodyne COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2Cl)OCO3)C[C@@H]1C ZINC000299881325 IJ Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000299881510 IJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000299881511 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299881770 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299881771 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299881772 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299882197 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299882198 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299882199 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299882200 IJ Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1)c1ccccc1 ZINC000299883180 IJ Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1)c1ccccc1 ZINC000299883181 IJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1)c1ccc(F)cc1 ZINC000299883731 IJ Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1)c1ccc(F)cc1 ZINC000299883732 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299883876 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299883877 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299884389 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299884390 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299884391 IJ Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CC=CCC3)n2)cc1 ZINC000299884394 IJ Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CC=CCC3)n2)cc1 ZINC000299884395 IJ Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299884711 IJ Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299884712 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299885063 IJ Annotated Anodyne COCCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000299885169 IJ Annotated Anodyne COCCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000299885170 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299885251 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299885252 IJ Annotated Anodyne COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)[C@H](C)C2)c1 ZINC000299885578 IJ Annotated Anodyne COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H](C)C2)c1 ZINC000299885579 IJ Annotated Anodyne COCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000299885598 IJ Annotated Anodyne COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000299885599 IJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000299885622 IJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000299885623 IJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000299885624 IJ Annotated Anodyne CC[C@H](C)O/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000299885625 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299885707 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299885708 IJ Annotated Anodyne CCn1cc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c(=O)c2ccc(C)nc21 ZINC000003017589 IJ Annotated Anodyne COc1ccc(C)cc1/N=C(\O)c1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1F ZINC000003031436 IJ Annotated Mild Cc1ccccc1C(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000003108490 IJ Annotated Anodyne Cc1ccccc1C(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000003108491 IJ Annotated Anodyne Cc1c(/C=N/NC(=O)CNc2ccccc2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 ZINC000003175018 IJ Annotated Reactive Cc1cc(C)nc(-n2nc(C)c(Br)c2Nc2ccc(Br)cc2)n1 ZINC000003239377 IJ Annotated Anodyne CN1CCC(N(C)C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000003254812 IJ Annotated Anodyne O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003340290 IJ Annotated Bother aggregator CCOc1ccccc1/C=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000030293631 IJ Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N=Nc1ccccc1 ZINC000301054868 IJ Annotated Clean CC1(C)O[C@](C)([C@H]2CC[C@](C)(Cl)[C@@H](Br)C2)[C@H](O)C[C@H]1Br ZINC000030731744 IJ Annotated Reactive in-vitro CC1(C)O[C@](C)([C@H]2CC[C@@](C)(Br)[C@H](Cl)C2)[C@H](O)C[C@H]1Br ZINC000030731746 IJ Annotated Reactive in-vitro O=C1c2ccccc2C(=O)c2c(NCCc3ccccn3)ccc(NCCc3ccccn3)c21 ZINC000031440405 IJ Annotated Clean C=C1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000031458861 IJ Annotated Mild COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000031459499 IJ Annotated Anodyne CC(=O)O[C@@H]1C=C(C)[C@@H](COc2ccc3ccc(=O)oc3c2)[C@]2(C)CCC(=O)C(C)(C)[C@@H]12 ZINC000031495530 IJ Annotated Anodyne O=C1CN2C(Cl)(Cl)[C@@]2(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F ZINC000031851214 IJ Annotated Anodyne C[N+]12CCCC[C@@H]1[C@@H](CN1C(=O)Cc3c4ccccc4c(c4ccccc34)CC1=O)CCC2 ZINC000031872284 IJ Annotated Bother C[N+]12CCCC[C@H]1[C@@H](CN1C(=O)Cc3c4ccccc4c(c4ccccc34)CC1=O)CCC2 ZINC000031872285 IJ Annotated Bother Cc1cc2c(c(/C=N/c3ccc([N+](=O)[O-])cc3)c1)O[C@@]1(C=C2)Oc2ccccc2C(=O)N1C ZINC000031895874 IJ Annotated Mild C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C/CC[C@@](C)(O)[C@@H](I)C[C@@H]12 ZINC000031898208 IJ Annotated Reactive C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C\CC[C@@](C)(O)[C@@H](I)C[C@@H]12 ZINC000031898211 IJ Annotated Reactive C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C\CC[C@@](C)(O)[C@@H](I)C[C@@H]12 ZINC000031898217 IJ Annotated Reactive CCN(CC)C(=S)S[C@@H](C(=O)Nc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000031905218 IJ Annotated Anodyne O=C(Nc1nnc(-c2ccccc2)o1)[C@H](SC(=S)N1CCCCC1)c1ccccc1 ZINC000031905220 IJ Annotated Anodyne O=C(c1cccnc1)N1N=C(c2ccccc2)C[C@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000031905826 IJ Annotated Anodyne NC(=O)[C@@H](Nc1ccc(Cl)cc1)c1cc2cc(Br)ccc2nc1Cl ZINC000031905881 IJ Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@@H](c3cccs3)C2)cc1 ZINC000031905898 IJ Annotated Bother CCN(CC)CCO[C@H](c1cc(OC)ccc1OC)c1ccc2n1-c1ccccc1OC2 ZINC000031908640 IJ Annotated Clean O=[N+]([O-])c1ccc(C2=C3SC=c4ccccc4=C3ON=C2c2ccc(Cl)cc2)cc1 ZINC000031909870 IJ Annotated Bother CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(N[C@H](C(=O)O)C(C)C)C1=O ZINC000032011140 IJ Annotated Mild C=C[C@@]1(C)CC[C@@H]2[C@](C)(C[C@H](O)[C@@H]3C(C)(C)[C@H](Br)C[C@H](OC(C)=O)[C@]32C)O1 ZINC000032296343 IJ Annotated Reactive C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@H]1OC(=O)C=C[C@@H]1C ZINC000032303227 IJ Annotated Anodyne Cc1ccc(N2CCN(/N=C/C3=C(N4CCOCC4)/C(=C\c4ccccc4)CC3)CC2)cc1 ZINC000032690939 IJ Annotated Mild N#C/C(=C\C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)C(=O)Nc1ccccc1F ZINC000032693810 IJ Annotated Reactive aggregator Cc1ccc(-n2ncnc2-c2cc3c(n(-c4ccc(C)cc4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000032955211 IJ Annotated Anodyne O=S(=O)(c1cccs1)N1CCOc2ccc(COCc3ccc(Cl)cc3)cc2C1 ZINC000033170871 IJ Annotated Anodyne O=S(=O)(c1ccc(Cl)s1)N1CCOc2ccc(COCc3ccccc3)cc2C1 ZINC000033170904 IJ Annotated Anodyne O=c1c2ccccc2nc(/C=C\c2ccc([N+](=O)[O-])o2)n1-c1ccc(Br)cc1 ZINC000033248349 IJ Annotated Bother COC(=O)CC(=O)O[C@@H]1C[C@@H]2[C@@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@]23CC[C@@]1(C)C3 ZINC000033504992 IJ Annotated Anodyne Cc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)/C=C/c3cccs3)CC2)n1 ZINC000033638733 IJ Annotated Anodyne CN1CCC(N(C)C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000033712470 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@H]3CCCCN13)OC(=O)CCc1ccc(O)c-2c1 ZINC000033830552 IJ Annotated Anodyne COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@H]1C[C@H]3CCCCN3[C@@H]2C1 ZINC000033832221 IJ Annotated Anodyne in-man C=C(C)[C@@H](CCC(C)(C)O)Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc12 ZINC000033833087 IJ Annotated Mild in-vitro biogenic C=C(C)[C@H](CCC(C)(C)O)Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc12 ZINC000033833088 IJ Annotated Mild C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(NC(=O)NCc4ccccc4)nc3[C@@H](C)[C@@H]21 ZINC000033874019 IJ Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)Cc3sc(NC(=O)NCc4ccccc4)nc3[C@H](C)[C@@H]21 ZINC000033874021 IJ Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)NCc4ccccc4)nc3[C@@H](C)[C@@H]21 ZINC000033874023 IJ Annotated Anodyne C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)NCc4ccccc4)nc3[C@H](C)[C@@H]21 ZINC000033874025 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]2[C@@H]3C)cc1 ZINC000033886793 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]2[C@H]3C)cc1 ZINC000033886794 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]2[C@@H]3C)cc1 ZINC000033886795 IJ Annotated Anodyne COc1ccc(C(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]2[C@H]3C)cc1 ZINC000033886796 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C[C@H](C[C@H]3CCCCN31)OC(=O)/C=C\c1ccc(O)c-2c1 ZINC000033918131 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@@H]3CCCCN31)OC(=O)/C=C\c1ccc(O)c-2c1 ZINC000033955109 IJ Annotated Anodyne COc1cc([C@H]2C(C#N)=COc3c2ccc2c3ccn2C)cc(Br)c1OC ZINC000033970210 IJ Annotated Reactive COc1cc([C@@H]2C(C#N)=COc3c2ccc2c3ccn2C)cc(Br)c1OC ZINC000033970211 IJ Annotated Reactive COCCN(CCOC)c1nc(C)nc2c1sc(=S)n2-c1c(C)cc(C)cc1C ZINC000033970656 IJ Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3CCCC2)cc(Br)c1OC ZINC000033971071 IJ Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3CCCC2)cc(Br)c1OC ZINC000033971072 IJ Annotated Reactive COC(=O)[C@H]1CCC[C@@H](NCc2cc(/C=C\c3cn(C)c4ccc(Cl)cc34)[nH]n2)C1 ZINC000034106701 IJ Annotated Anodyne COC(=O)[C@H]1CCC[C@H](NCc2cc(/C=C\c3cn(C)c4ccc(Cl)cc34)[nH]n2)C1 ZINC000034106702 IJ Annotated Anodyne CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000034131209 IJ Annotated Anodyne CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000034131296 IJ Annotated Anodyne CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000034131403 IJ Annotated Anodyne CCOC(=O)C1=CC[C@H](c2cccc3ccccc23)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000034131438 IJ Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2cccc3ccccc23)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000034131440 IJ Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C=C(C)C ZINC000034131525 IJ Annotated Anodyne C[C@H](/C(O)=N/C[C@@H]1CCCO1)[C@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000034145252 IJ Annotated Anodyne C[C@H](/C(O)=N/C[C@@H]1CCCO1)[C@@H]1Sc2ccccc2N(Cc2ccccc2F)C1=O ZINC000034145254 IJ Annotated Anodyne C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(CCOc1ccccc1)CC3 ZINC000034148523 IJ Annotated Anodyne CO[C@]12C=C[C@](C)(O1)[C@@H](OC(=O)C=C(C)C)C[C@H]1C(C)=CC(=O)[C@H](C(C)C)[C@H]1/C=C\2C ZINC000034207228 IJ Annotated Mild C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034271496 IJ Annotated Anodyne CO[C@@]1(/C=C/[C@]2(C)CC[C@@H]3[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)O2)OC(=O)C=C1C ZINC000034277921 IJ Annotated Anodyne CO[C@]1(/C=C/[C@@]2(C)CC[C@@H]3[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)O2)OC(=O)C=C1C ZINC000034277922 IJ Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000034307056 IJ Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000034445266 IJ Annotated Anodyne Cc1nnc([C@](F)([C@H]2Cc3[nH]c4ccc(Cl)cc4c3C2)S(=O)(=O)c2ccccc2)o1 ZINC000034480353 IJ Annotated Anodyne C[C@H](NC=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C ZINC000034580546 IJ Annotated Anodyne C[C@H](NC=O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]12C)CC[C@H](N(C)C)C4(C)C ZINC000034580548 IJ Annotated Anodyne COc1ccc(C)c(C(C)(C)C[C@@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)c1 ZINC000034633694 IJ Annotated Anodyne COc1ccc(C)c(C(C)(C)C[C@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)c1 ZINC000034633695 IJ Annotated Anodyne CC(C)(C[C@@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cccc2c1OCC2 ZINC000034633698 IJ Annotated Anodyne CC(C)(C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cccc2c1OCC2 ZINC000034633699 IJ Annotated Anodyne CCN(C)[C@H](C)[C@@H](c1ccc2cc(OCC3(C(=O)O)CCCC3)ccc2c1)n1ccnc1 ZINC000034642621 IJ Annotated Anodyne O=S(=O)(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cccc(C(F)(F)F)c1 ZINC000034642770 IJ Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1/C=C(\C)CC/C=C(\C)C[C@H]2OC(=O)[C@](C)(OC(=O)/C(C)=C\C)[C@H]12 ZINC000034651724 IJ Annotated Anodyne in-vitro biogenic CN(CCCF)C(=O)c1cc2ccccc2c(-c2ccccc2I)n1 ZINC000034752892 IJ Annotated Anodyne C[C@@](O)(COC(=O)c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000034801528 IJ Annotated Bother C[C@](O)(COC(=O)c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000034801529 IJ Annotated Bother C[C@@](O)(COC(=O)c1cccc(Cl)c1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000034801530 IJ Annotated Bother C[C@](O)(COC(=O)c1cccc(Cl)c1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000034801531 IJ Annotated Bother C[C@@](O)(COC(=O)c1ccccc1Cl)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000034801532 IJ Annotated Bother C[C@](O)(COC(=O)c1ccccc1Cl)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 ZINC000034801533 IJ Annotated Bother C[C@@](O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(N)c(C(F)(F)F)cc2[nH]1 ZINC000034801536 IJ Annotated Anodyne C[C@](O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(N)c(C(F)(F)F)cc2[nH]1 ZINC000034801537 IJ Annotated Anodyne C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000034801540 IJ Annotated Anodyne C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000034801541 IJ Annotated Anodyne C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Cl)cc3OC2)cc1)C1CCOCC1 ZINC000034804389 IJ Annotated Bother CC(C)(C)OC(=O)C1=C(N2CCCC2)[C@H]2c3ccccc3S[C@@]12C(=O)OC(C)(C)C ZINC000034819607 IJ Annotated Anodyne CC(C)=CCCc1c(-c2ccc(OCc3ccccc3)cc2)[nH]c2cc(C(=O)O)nn2c1=O ZINC000034820316 IJ Annotated Anodyne CCOC(=O)[C@H]1CCCN(c2c(C(=O)c3ccc(C)cc3)cnc3ccc(OCC)cc23)C1 ZINC000034868203 IJ Annotated Anodyne CCOC(=O)[C@@H]1CCCN(c2c(C(=O)c3ccc(C)cc3)cnc3ccc(OCC)cc23)C1 ZINC000034868204 IJ Annotated Anodyne CCOc1ccc(Cc2nc3cc(/N=C(\N)c4cccs4)ccc3n2CCN(C)C)cc1 ZINC000034875292 IJ Annotated Mild COc1ccc([C@H]2C=CCN(C(=O)c3ccccc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000034960804 IJ Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)CC(C)(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961571 IJ Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961665 IJ Annotated Anodyne CC[C@@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(CO)sc3c2)nn1)C(F)(F)F ZINC000034986977 IJ Annotated Anodyne CC[C@](O)(c1cn(Cc2ccc3c(-c4ccccc4)c(CO)sc3c2)nn1)C(F)(F)F ZINC000034986978 IJ Annotated Anodyne Cn1cc(C#N)c2ccc(Nc3ncc(-c4ccccc4CNC(=O)OCCC#N)o3)cc21 ZINC000003595492 IJ Annotated Mild Cn1cc(C#N)c2ccc(Nc3ncc(-c4cccc(CNC(=O)OCCC#N)c4)o3)cc21 ZINC000003595494 IJ Annotated Mild CCN1c2ncc(CSc3nc(C)cc(C)n3)cc2C(=O)Nc2c(C)cc(Cl)nc21 ZINC000003611240 IJ Annotated Anodyne CCCCCCCCCCN1C/C(=C2/SC(=O)NC2=O)c2ccccc2S1(=O)=O ZINC000003630106 IJ Annotated Mild O=C(NCc1cccs1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2 ZINC000003638599 IJ Annotated Anodyne CC(=O)Oc1ccccc1C(=O)N(C(=S)OCCOc1ccccc1)c1ccccc1 ZINC000003648424 IJ Annotated Anodyne CC(=O)c1ccc(-c2cc(NS(=O)(=O)c3ccc(C)cc3C)c(C(=O)O)s2)cc1 ZINC000003654627 IJ Annotated Anodyne CN1Cc2ccccc2[C@@H](c2ccccc2)N=C1CCc1ccc(NS(C)(=O)=O)cc1 ZINC000003779568 IJ Annotated Anodyne CN1Cc2ccc(NS(C)(=O)=O)cc2[C@@H](c2ccccc2)N=C1CCc1ccccc1 ZINC000003779571 IJ Annotated Anodyne CN(C(=O)[C@@H]1CCc2csc3cccc1c23)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000003787774 IJ Annotated Anodyne O=[S@](Cc1cc(OCc2ccc(C(F)(F)F)cc2)ccn1)c1nc2cscc2[nH]1 ZINC000003796064 IJ Annotated Anodyne COc1cc(CCc2ccc(C3=Cc4oc(C)cc4C4=NCCN34)cc2)cc(OC)c1OC ZINC000003800844 IJ Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(Oc3ccc([S@@](C)=O)cc3)cc2)c(=O)c1Br ZINC000003801196 IJ Annotated Anodyne CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@@H]1CCc2ccccc21 ZINC000003810669 IJ Annotated Anodyne Cc1cccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)sc3nc(C(F)(F)F)nn23)c1 ZINC000003814529 IJ Annotated Anodyne COc1ccc(-n2c3cssc-3c(NC(=O)c3cc(F)cc(F)c3)c2=O)c(OC)c1 ZINC000003817912 IJ Annotated Anodyne Cc1ccc2nc(CCNCCCO)ccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000003818230 IJ Annotated Anodyne CCCC1=C(c2nnc(C)o2)[C@H](c2cccc(C#N)c2Br)c2c[nH]nc2N1 ZINC000003819952 IJ Annotated Mild COC(=O)[C@@H]1CCC[C@@H](NCc2cc(/C=C/c3cn(C)c4ccc(Cl)cc34)[nH]n2)C1 ZINC000003820765 IJ Annotated Anodyne CCNCc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1 ZINC000003828082 IJ Annotated Anodyne CCCCC[C@@H](CC)COC(=O)C[C@@H](C(=O)OC[C@@H](CC)CCCC)S(=O)(=O)O ZINC000003830719 IJ Annotated Anodyne CCCCC[C@H](CC)COC(=O)C[C@@H](C(=O)OC[C@@H](CC)CCCC)S(=O)(=O)O ZINC000003830720 IJ Annotated Anodyne CCCCC[C@@H](CC)COC(=O)C[C@H](C(=O)OC[C@@H](CC)CCCC)S(=O)(=O)O ZINC000003830721 IJ Annotated Anodyne CCCCC[C@H](CC)COC(=O)C[C@H](C(=O)OC[C@@H](CC)CCCC)S(=O)(=O)O ZINC000003830722 IJ Annotated Anodyne CCOC(=O)[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C1=NC(C)(C)Cc2ccccc21 ZINC000003877213 IJ Annotated Anodyne CC(C)(C)C1CCC(CC2=C(OCOP(=O)(O)O)C(=O)c3ccccc3C2=O)CC1 ZINC000003937340 IJ Annotated Mild O=C1CCCN1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000003940914 IJ Annotated Bother O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC000003955737 IJ Annotated Anodyne O=C(c1cnccn1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003955913 IJ Annotated Anodyne O=C(c1csnn1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000003956283 IJ Annotated Anodyne Cn1c(C(=O)N2CCC[C@H](C(=O)NCCCSC3CCCCC3)C2)cc2sccc21 ZINC000003959074 IJ Annotated Anodyne Cn1c(C(=O)N2CCC[C@@H](C(=O)NCCCSC3CCCCC3)C2)cc2sccc21 ZINC000003959076 IJ Annotated Anodyne CCc1nnc(SCC(=O)Nc2ccc(C)cc2Br)n1-c1ccc(C)cc1 ZINC000035002832 IJ Annotated Anodyne COc1ccc2c(Cc3cc(F)cc(F)c3)c3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000035014883 IJ Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000035028333 IJ Annotated Anodyne O=C(O)c1ccc(N(C(=O)CCCCCBr)c2ccc(C(=O)O)cc2)cc1 ZINC000035050310 IJ Annotated Reactive O=C(O)c1ccc(N(C(=O)CCCCCBr)c2cccc(C(=O)O)c2)cc1 ZINC000035050321 IJ Annotated Reactive CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])ccc21 ZINC000035064561 IJ Annotated Bother CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)CC ZINC000035229148 IJ Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)CC ZINC000035229151 IJ Annotated Anodyne O=c1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1Cc1cc(Cl)ccc1O ZINC000035242371 IJ Annotated Clean C=CCc1cc(Cl)cc(-c2c(CCO)c(=O)n(C)c3ccc(C(F)(F)F)cc23)c1O ZINC000035259909 IJ Annotated Mild N[C@@H](NC1C=CC=C1)c1ccc(-c2ccc(-c3ccc([C@@H](N)NC4C=CC=C4)cc3)o2)cc1 ZINC000035264325 IJ Annotated Anodyne N[C@@H](NC1C=CC=C1)c1ccc(-c2ccc(-c3ccc([C@H](N)NC4C=CC=C4)cc3)o2)cc1 ZINC000035264326 IJ Annotated Anodyne N[C@H](NC1C=CC=C1)c1ccc(-c2ccc(-c3ccc([C@H](N)NC4C=CC=C4)cc3)o2)cc1 ZINC000035264327 IJ Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C/c2ccc(F)cc2)OC1=O ZINC000035304880 IJ Annotated Mild Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@@H](O)CO ZINC000035827358 IJ Annotated Anodyne N[C@H](CNc1nnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000035827374 IJ Annotated Anodyne COC(=O)Cc1ccc(OCCN(C)C(=O)CCCC[C@@H]2CCSS2)c(Cl)c1 ZINC000035849866 IJ Annotated Reactive COC(=O)Cc1ccc(OCCN(C)C(=O)CCCC[C@H]2CCSS2)c(Cl)c1 ZINC000035849867 IJ Annotated Reactive COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@H]1OC(=O)O[C@H]1C(C)(C)O2 ZINC000035879439 IJ Annotated Bother C/C(=C\Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2)CCCC(C)(C)O ZINC000035879723 IJ Annotated Clean Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2c[nH]c3c(C#N)cc(C)cc23)C(F)(F)F)c(C)c1 ZINC000035879868 IJ Annotated Mild Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3c(C#N)cc(C)cc23)C(F)(F)F)c(C)c1 ZINC000035879869 IJ Annotated Mild CC1(C)C[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc2O1 ZINC000035920355 IJ Annotated Bother CC1(C)C[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc2O1 ZINC000035920356 IJ Annotated Bother CCCCCCC(=O)C(=O)N1[C@H](C(=O)OCCc2ccccc2Cl)CSC1(C)C ZINC000035920494 IJ Annotated Anodyne O=C(Cc1c(F)cccc1Cl)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1 ZINC000035951746 IJ Annotated Anodyne CC1(C)C[C@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)c2cc(Br)ccc2O1 ZINC000035970477 IJ Annotated Bother CC1(C)C[C@@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)c2cc(Br)ccc2O1 ZINC000035970479 IJ Annotated Bother CN(CCCOc1ccc(CC(=O)O)cc1Cl)C(=O)CCCC[C@@H]1CCSS1 ZINC000035971445 IJ Annotated Reactive CN(CCCOc1ccc(CC(=O)O)cc1Cl)C(=O)CCCC[C@H]1CCSS1 ZINC000035971448 IJ Annotated Reactive CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCC3CCCCC3)CC1=O)C2 ZINC000036126697 IJ Annotated Anodyne O=C(O)COc1ccc(-c2cc(F)cc(F)c2)cc1C(=O)c1cnn(-c2ccccc2)c1 ZINC000036127023 IJ Annotated Anodyne Cc1ccc(O)cc1Nc1cc(CCCC2CCNCC2)nc(-n2cnc3ccccc32)n1 ZINC000036187683 IJ Annotated Anodyne CCCC[C@H]1S/C(=N\N=C/c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000036208949 IJ Annotated Mild O=C1c2cc(Cc3ccc(F)cc3)cn2CCN1CCc1ccc(CN2CCCCC2)cc1 ZINC000036270596 IJ Annotated Anodyne C[C@@H]1CC(n2c(=O)oc3ccccc32)C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000036286463 IJ Annotated Anodyne C[C@H]1CN(c2ccc(C(F)(F)F)cn2)C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000036286485 IJ Annotated Anodyne COc1cc2cc(C(=O)[C@H]3CC[N+](C)(Cc4ccccc4)CC[C@H]3O)sc2cc1OC ZINC000036286881 IJ Annotated Bother COc1cc2cc(C(=O)[C@@H]3CC[N+](C)(Cc4ccccc4)CC[C@H]3O)sc2cc1OC ZINC000036286884 IJ Annotated Bother COc1cc2c(cc1OC)S[C@H](C(=O)C[C@@H]1C=CC[N+](C)(Cc3ccccc3)CC1)C2 ZINC000036286894 IJ Annotated Bother COc1cc2c(cc1OC)S[C@H](C(=O)C[C@H]1C=CC[N+](C)(Cc3ccccc3)CC1)C2 ZINC000036286897 IJ Annotated Bother CN(C)CCOCCc1cccc2[nH]c(-c3nc(CCc4ccc(Cl)cc4)no3)cc12 ZINC000036311431 IJ Annotated Anodyne O=C(c1cn(C(=O)OCc2ccccc2)c2ccccc12)[C@@H]1CS[C@@H](c2cccnc2)N1 ZINC000036331830 IJ Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(-c3ccco3)c(F)c2)nc1 ZINC000036338760 IJ Annotated Anodyne CCOC(=O)CC(=O)Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379120 IJ Annotated Anodyne CCOC(=O)CC(=O)Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000036379121 IJ Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1ccccc1 ZINC000036379172 IJ Annotated Anodyne CCCCn1c(C)cc2c(c1=O)[C@H]1O[C@](CCCC)(Cc3cc(OC)c(OC)cc31)O2 ZINC000036379175 IJ Annotated Anodyne COc1ccc([C@]23Cc4cc(OC)c(OC)cc4[C@H](O2)C2=C(CC(C)(C)CC2=O)O3)cc1 ZINC000036379188 IJ Annotated Mild O=C1CCCC2=C1[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000036379212 IJ Annotated Mild COc1ccc2c3c(c(=O)oc2c1)[C@H]1O[C@](c2ccsc2)(Cc2cc(C#N)ccc21)O3 ZINC000036379230 IJ Annotated Mild Cc1cc2c(c(=O)n1-c1ccccc1)[C@H]1O[C@](c3ccsc3)(Cc3cc(C#N)ccc31)O2 ZINC000036379231 IJ Annotated Mild COc1ccc([C@]23Cc4cc(C#N)ccc4[C@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1 ZINC000036379237 IJ Annotated Mild O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCOC2 ZINC000036380254 IJ Annotated Anodyne C=CC[C@@H]1C=C(C(=O)OC)N(C(=O)C(F)(F)F)[C@@H](c2ccccc2Br)[C@@H]1C ZINC000036381680 IJ Annotated Mild C=CC/N=C1\N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1 ZINC000036381693 IJ Annotated Mild CCN1C(C)=C(C(=O)OC)[C@H](c2cccc(F)c2)N/C1=N\Cc1cccc(C(F)(F)F)c1 ZINC000036381731 IJ Annotated Mild CCN1C(NCc2cccc(C(F)(F)F)c2)=N[C@@H](c2cccs2)C(C(=O)OC)=C1C ZINC000036381736 IJ Annotated Anodyne COC1=C[C@H](C(=O)NCc2ccc(Br)cc2)[C@H](C)[C@@H](c2ccccc2)CC1=O ZINC000036381757 IJ Annotated Mild COc1ccc2c(c1)[C@@]1(OCCC=C[C@H]1C)C(=O)N2Cc1ccc(Br)cc1 ZINC000036381899 IJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@]1(c3ccccc3)CCCC[C@H]1[C@@H]2NC(=O)C(F)(F)F ZINC000036381911 IJ Annotated Anodyne O=C1Nc2cccc(Br)c2[C@@]12O[C@H](COc1ccccc1)CC1=CCC[C@@H]12 ZINC000036381942 IJ Annotated Anodyne O=C1Nc2cccc(Br)c2[C@@]12O[C@H](COc1ccccc1)CC1=CCC[C@H]12 ZINC000036382054 IJ Annotated Anodyne O=C(CBr)c1ccc(Oc2ccc(C(=O)C[n+]3ccccc3Cl)cc2)cc1 ZINC000036382683 IJ Annotated Reactive COc1ccc(NC2=Nc3ccccc3N[C@]23C[C@@H]2CCN4C(=O)CCC[C@H](C3)[C@H]24)cc1 ZINC000036382901 IJ Annotated Anodyne CCOC(=O)[C@]12Cc3cc(N(C)C)ccc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12 ZINC000036382908 IJ Annotated Clean O=C1CC[C@H](O)CCN1[C@H](CSc1ccc(Br)cc1)Cc1ccccc1 ZINC000036382943 IJ Annotated Anodyne CC(=O)OC1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000036383817 IJ Annotated Anodyne COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036384260 IJ Annotated Anodyne CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000036384307 IJ Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C ZINC000036384310 IJ Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 ZINC000036384335 IJ Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 ZINC000036384339 IJ Annotated Anodyne C[C@@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(CCOc1ccccc1)CC3 ZINC000036384597 IJ Annotated Anodyne C[C@@]12C(=O)Nc3cc(F)ccc3C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036387248 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccs3)CC=C(C(=O)O)[C@@H]2c2ccccc2)cc1 ZINC000036387301 IJ Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 ZINC000036388458 IJ Annotated Anodyne COc1ccc([C@@H]2C=CCN(Cc3ccco3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388461 IJ Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 ZINC000036388464 IJ Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(Cc3ccco3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388465 IJ Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)CC(C)(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388481 IJ Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388535 IJ Annotated Anodyne CCCCC(=O)N1C/C=C/[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@@H]1C ZINC000036388557 IJ Annotated Anodyne CCCCC(=O)N1C/C=C/[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@@H]1C ZINC000036388559 IJ Annotated Anodyne COc1cc2cc(CCCOC(=O)c3ccc(C(F)(F)F)cc3)oc(=O)c2cc1OC ZINC000036388707 IJ Annotated Anodyne O=C(CCc1ccccc1)N[C@]1(Cc2ccccc2)CCN(CCCc2ccccc2)C1=O ZINC000036389148 IJ Annotated Anodyne O=C(CCc1ccccc1)N[C@@]1(Cc2ccccc2)CCN(CCCc2ccccc2)C1=O ZINC000036389149 IJ Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(=O)c1ccccc1)[C@@H](O)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000036410400 IJ Annotated Anodyne CC(C)Oc1cc(C(=O)N(c2ccccc2)c2ccccc2)ccc1C(=O)N[C@@H](C)C(=O)O ZINC000036410609 IJ Annotated Anodyne CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)OC4)[C@@]3(C)[C@H](O)C[C@@H]12 ZINC000036418653 IJ Annotated Anodyne CCOC(=O)N(C)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000036426178 IJ Annotated Anodyne Cc1cc(=O)c(-c2nnc(Nc3ccccc3F)o2)nn1-c1c(Cl)cccc1Cl ZINC000036465015 IJ Annotated Anodyne CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)C[C@@H](C)[C@@H](O)C[C@H](O)/C=C\C=C\c1cccc(O)c1Cl ZINC000036465269 IJ Annotated Anodyne CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)c(C(F)(F)F)c2)cc1 ZINC000036476206 IJ Annotated Anodyne CCCCCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000036757768 IJ Annotated Mild CCCCCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000036757769 IJ Annotated Mild O=C(c1cc(Cl)c(O)cc1O)N1CCC[C@@H]1c1ccc(CN2CCC(F)(F)C2)cc1 ZINC000036966117 IJ Annotated Anodyne O=C(O)c1ccc(C(=O)O)c(-c2c3cc(Cl)c(=O)cc-3oc3cc(O)c(Cl)cc23)c1 ZINC000037259957 IJ Annotated Bother CCCN(CC1CC1)Cn1c(O)c(N=NC(N)=S)c2cc(C)c(Br)cc21 ZINC000377815253 IJ Annotated Clean O=C(NCc1ccccc1)c1c(-c2ccccc2)n(O)c2cc(Cl)c(Cl)cc2[n+]1=O ZINC000377817250 IJ Annotated Anodyne COc1ccc2cc3n(cc-2c1=NCCc1cccs1)CCc1cc2c(cc1-3)OCO2 ZINC000377840455 IJ Annotated Anodyne C1=CN2CCCCCN3C=CC(=NCCOCCN=C1c1ccccc12)c1ccccc13 ZINC000377845835 IJ Annotated Anodyne C1=CN2CCOCCN3C=CC(=NCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377845839 IJ Annotated Anodyne Cc1ccc(-c2c3cc(N)ccc3c3ccc(=Nc4cc(C)n(C)c(=N)n4)cc-3n2C)cc1 ZINC000377848882 IJ Annotated Bother N/C(O)=C1\N=NC(c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)=N1 ZINC000377848896 IJ Annotated Anodyne N/C(O)=C1/N=NC(c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)=N1 ZINC000377848897 IJ Annotated Anodyne COc1cc(CN(C(C)C)C(C)C)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000377848965 IJ Annotated Anodyne OC1CCN=C2C=CN(CCCCCN3C=CC(=NCC1)c1ccccc13)c1ccccc12 ZINC000377853459 IJ Annotated Anodyne CCn1c2cc(=NC(=O)CCCC(=O)O)ccc-2c2ccc(N)cc2c1-c1ccccc1 ZINC000379420241 IJ Annotated Bother COC1=C[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H](C)[C@@H](c2ccccc2)CC1=O ZINC000038142252 IJ Annotated Mild COC1=C[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H](C)[C@H](c2ccccc2)CC1=O ZINC000038142253 IJ Annotated Mild COC1=C[C@H](C(=O)NCc2ccc(Br)cc2)[C@H](C)[C@H](c2ccccc2)CC1=O ZINC000038142254 IJ Annotated Mild C[C@@H]1C(=O)N(CCCCCCCOc2ccc(Cl)cc2)/C(=N\C#N)N1c1ccncc1 ZINC000038148513 IJ Annotated Mild C[C@H]1C(=O)N(CCCCCCCOc2ccc(Cl)cc2)/C(=N\C#N)N1c1ccncc1 ZINC000038148514 IJ Annotated Mild CC[C@@H]1C(=O)N(CCCCCCOc2ccc(Cl)cc2)/C(=N\C#N)N1c1ccncc1 ZINC000038148522 IJ Annotated Mild CC[C@H]1C(=O)N(CCCCCCOc2ccc(Cl)cc2)/C(=N\C#N)N1c1ccncc1 ZINC000038148523 IJ Annotated Mild COc1cc2c(cc1OC)Oc1ncnc(Oc3cccc(Br)c3)c1N(C)C2 ZINC000038149519 IJ Annotated Anodyne COc1cc2c(cc1OC)Oc1ncnc(Oc3cccc(Br)c3)c1NC2 ZINC000038149520 IJ Annotated Anodyne CCCCCCCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2c([N+](=O)[O-])cccc21 ZINC000038152092 IJ Annotated Mild CCCCCCCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2cccc([N+](=O)[O-])c21 ZINC000038152103 IJ Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(F)c1)C(F)(F)F ZINC000038154331 IJ Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(F)c1)C(F)(F)F ZINC000038154332 IJ Annotated Mild COc1ccc(C(=O)CCC[C@@H]2OO[C@@H]3CCC[C@](c4ccc(OC)cc4)(OO2)O3)cc1 ZINC000038158854 IJ Annotated Reactive COc1ccc(C(=O)CCC[C@H]2OO[C@@H]3CCC[C@](c4ccc(OC)cc4)(OO2)O3)cc1 ZINC000038158855 IJ Annotated Reactive COc1ccc(C(=O)CCC[C@@H]2OO[C@H]3CCC[C@](c4ccc(OC)cc4)(OO2)O3)cc1 ZINC000038158856 IJ Annotated Reactive COc1ccc(C(=O)CCC[C@H]2OO[C@H]3CCC[C@](c4ccc(OC)cc4)(OO2)O3)cc1 ZINC000038158857 IJ Annotated Reactive CCCC[C@H]1S/C(=N/N=C\c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000038161235 IJ Annotated Mild O=C(Cn1c(-c2ccccn2)nc2ccccc21)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000038187467 IJ Annotated Clean COC(=O)[C@@H]1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 ZINC000038199168 IJ Annotated Mild COC(=O)[C@H]1C(C)=NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 ZINC000038199169 IJ Annotated Mild COC(=O)[C@@H]1C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 ZINC000038199170 IJ Annotated Mild COC(=O)[C@H]1C(C)=NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2)o1 ZINC000038199171 IJ Annotated Mild CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000038210274 IJ Annotated Anodyne CN(CCOc1ccc(CC(=O)O)cc1Cl)C(=O)CCCC[C@@H]1CCSS1 ZINC000038239817 IJ Annotated Reactive CN(CCOc1ccc(CC(=O)O)cc1Cl)C(=O)CCCC[C@H]1CCSS1 ZINC000038239818 IJ Annotated Reactive Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@H](O)CO ZINC000038253907 IJ Annotated Anodyne COc1c(C)c(C[C@@H](C)OC(C)=O)c2[nH]c3ccc(Br)cc3c2c1OC(C)=O ZINC000038300248 IJ Annotated Anodyne O=C(N/C=C/c1ccc(F)c(F)c1)[C@@H](c1csc2ccc(Cl)cc12)P(=O)(O)O ZINC000038309790 IJ Annotated Anodyne O=C(N/C=C/c1ccc(F)c(F)c1)[C@H](c1csc2ccc(Cl)cc12)P(=O)(O)O ZINC000038309791 IJ Annotated Anodyne Clc1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000038334783 IJ Annotated Mild CC(C)(C)n1ncc(OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1=O ZINC000038334814 IJ Annotated Anodyne Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1 ZINC000038428109 IJ Annotated Anodyne CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O)[C@@H](CC(=O)C[C@H](C)O)C2=CO1 ZINC000038428742 IJ Annotated Mild CC(/C=C/C=O)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O ZINC000038428971 IJ Annotated Reactive COc1cc(-c2c(C#N)c(=O)oc3c2ccc2c3ccn2C)cc(Br)c1OC ZINC000038451353 IJ Annotated Mild O=C(CCCc1cccs1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 ZINC000038480413 IJ Annotated Anodyne COc1cc(OC)c2c(c1I)CC(C)(C)N(Cc1ccccc1)C2 ZINC000038732688 IJ Annotated Anodyne COC(=O)/C(=C/c1ccc(-c2nc3ccc(C(=N)NC(C)C)cc3[nH]2)o1)c1ccccc1 ZINC000038738960 IJ Annotated Anodyne C[C@@H](C[C@@H](C)CO)[C@H](O)[C@@H](C)C(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000038789010 IJ Annotated Anodyne CCCCN1/C(=N/Nc2n[nH]c(=O)c3ccccc23)SC[C@H]1c1ccc(Cl)cc1 ZINC000038807604 IJ Annotated Mild CCCCN1/C(=N/Nc2n[nH]c(=O)c3ccccc23)SC[C@@H]1c1ccc(Cl)cc1 ZINC000038807606 IJ Annotated Mild CCCCC/C=C\C[C@@]1(O)C=C(Br)C(=O)/C1=C\C=C\CCCC(=O)OC ZINC000038845950 IJ Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)c3cc(CCC(=O)O)[n+](CC(=O)O)cc3CC[C@@H]21 ZINC000038940080 IJ Annotated Mild CC1(C)CCC[C@]2(C)[C@@H]3CCc4c[n+](CC(=O)O)c(CCC(=O)O)cc4[C@]3(C)CC[C@H]12 ZINC000038940081 IJ Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)c3cc(CCC(=O)O)[n+](CC(=O)O)cc3CC[C@H]21 ZINC000038940082 IJ Annotated Mild CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)c3cc(CCC(=O)O)[n+](CC(=O)O)cc3CC[C@H]21 ZINC000038940083 IJ Annotated Mild Cc1cc([C@H]2[C@@H](C(C)C)CC[C@@]2(C)CC(=O)O)c2c(c1Br)O[C@H](C)NC2=O ZINC000038940715 IJ Annotated Anodyne CC1=CC(=O)C=C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C(C)[C@]12Oc1c(C)c(C)oc(=O)c1[C@@H]2O ZINC000038969128 IJ Annotated Mild C[C@@H]1C[C@H](O)C2=C3[C@@H](C[C@@H]4C(C)(C)[C@H](O)CC[C@@]24C)Oc2ccc(C(=O)O)cc2C[C@@]31C ZINC000038969288 IJ Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(OCC=C(C)C)c(OC)c2)ccc1O ZINC000038991444 IJ Annotated Anodyne CC1(C)Oc2cc3oc(=O)ccc3cc2[C@@H](OC(=O)c2ccccc2)[C@@H]1Br ZINC000039013079 IJ Annotated Reactive COc1ccc(C(=O)[C@H]2C(=O)O[C@@](C)(CC/C=C(\C)CC(=O)C=C(C)C)[C@@H]2C)c(O)c1 ZINC000039034062 IJ Annotated Mild CC(C)(C)NC[C@H](O)COc1cc(Cl)c(-c2ncc(C(F)(F)F)[nH]2)c(Cl)c1 ZINC000039241338 IJ Annotated Anodyne CC(C)(C)NC[C@@H](O)COc1cc(Cl)c(-c2ncc(C(F)(F)F)[nH]2)c(Cl)c1 ZINC000039241339 IJ Annotated Anodyne O=C1/C(=N\O)c2c(/C=C/c3ccccc3)cccc2N1Cc1cc(F)cc2c1OCOC2 ZINC000039261472 IJ Annotated Mild in-vivo CN(CCCCCCCCN)CCSSCCN(C)CCCCCCCCN ZINC000039263997 IJ Annotated Reactive O=C(NCc1cccnc1)c1cccc(-c2ccc(Nc3ccc4ncsc4c3)nn2)c1 ZINC000039301185 IJ Annotated Anodyne Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3nc2N2CCC(O)CC2)C2CC2)cc1 ZINC000039353571 IJ Annotated Anodyne O=C(N[C@H](C(=O)O)[C@@H]1CCc2ccccc2C1)OCC1c2ccccc2-c2ccccc21 ZINC000039927546 IJ Annotated Anodyne O=C(N[C@@H](C(=O)O)[C@H]1CCc2ccccc2C1)OCC1c2ccccc2-c2ccccc21 ZINC000039927547 IJ Annotated Anodyne O=C(N[C@@H](C(=O)O)[C@@H]1CCc2ccccc2C1)OCC1c2ccccc2-c2ccccc21 ZINC000039927548 IJ Annotated Anodyne O=C(NC1(C(=O)O)CCN(c2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21 ZINC000039927910 IJ Annotated Anodyne CCCCCOC[C@H]1C[C@@]2(C[C@@](C)(c3csc(Nc4ccccc4)n3)OC2=O)C(=O)O1 ZINC000004003918 IJ Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1)c1ccccc1 ZINC000004037263 IJ Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1)c1ccccc1 ZINC000004037267 IJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004037343 IJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004037348 IJ Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004041811 IJ Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004041813 IJ Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004041815 IJ Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004041830 IJ Annotated Mild C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000004044352 IJ Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000004044353 IJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000004044355 IJ Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000004044357 IJ Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1)c1ccc(F)cc1 ZINC000004045049 IJ Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1)c1ccc(F)cc1 ZINC000004045050 IJ Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1)c1ccc(F)cc1 ZINC000004045051 IJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004048994 IJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004048995 IJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004048996 IJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004048997 IJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049114 IJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049115 IJ Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049116 IJ Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049117 IJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004049561 IJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004049562 IJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004049577 IJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004049578 IJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049673 IJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049674 IJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049675 IJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049676 IJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000004049704 IJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004049705 IJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000004050271 IJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004050274 IJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004050829 IJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004050830 IJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004050831 IJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004050832 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004050916 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004050917 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004050919 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004050921 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004051692 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004051694 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004051696 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004051699 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004051754 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004051755 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004051757 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004051761 IJ Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004051934 IJ Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004051936 IJ Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004051937 IJ Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004051938 IJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004053289 IJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004053291 IJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004053316 IJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004053317 IJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004053455 IJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004053456 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004053510 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004053511 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004053513 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004053517 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004053997 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004054000 IJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004054001 IJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004054004 IJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004054011 IJ Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004054012 IJ Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004054605 IJ Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004054607 IJ Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004054608 IJ Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004054612 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004055410 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004055411 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004055412 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004055413 IJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055534 IJ Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055535 IJ Annotated Bother CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055536 IJ Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055537 IJ Annotated Bother O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004055550 IJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004055551 IJ Annotated Anodyne O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)N1CCOCC1 ZINC000004056082 IJ Annotated Anodyne O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)N1CCOCC1 ZINC000004056083 IJ Annotated Anodyne COc1cc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc(OC)c1OC ZINC000004073990 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004076501 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004076515 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004076534 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004076539 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004077686 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004077687 IJ Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004080146 IJ Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004080149 IJ Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1)c1ccccc1 ZINC000004080204 IJ Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1)c1ccccc1 ZINC000004080206 IJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080226 IJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080228 IJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004080253 IJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004080254 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)cc1 ZINC000004080591 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)cc1 ZINC000004080596 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004081221 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCc1ccccc1N ZINC000004081223 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCc1ccccc1N ZINC000004081226 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCc1ccccc1N ZINC000004081228 IJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004081480 IJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004081484 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004081601 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004081605 IJ Annotated Anodyne COc1cc([C@H]2O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)cc(OC)c1OC ZINC000004098808 IJ Annotated Anodyne in-vitro COc1cc(OC)c([C@H]2O[C@@H](C)[C@@H](c3cc(OC)c(OC)cc3OC)[C@@H]2C)cc1OC ZINC000004098824 IJ Annotated Anodyne in-vitro biogenic CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152704 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152706 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCC#N ZINC000004152793 IJ Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCC#N ZINC000004152796 IJ Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCC#N ZINC000004152798 IJ Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCC#N ZINC000004152800 IJ Annotated Mild CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004153247 IJ Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004153248 IJ Annotated Bother CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004153249 IJ Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004153250 IJ Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153264 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153266 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccoc2)cc1 ZINC000004154415 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccoc2)cc1 ZINC000004154416 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154763 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154769 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155160 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155161 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204648 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204650 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004204796 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004204798 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004205256 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004205258 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004205265 IJ Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205335 IJ Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205338 IJ Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205341 IJ Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004205345 IJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004206195 IJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004206196 IJ Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004206197 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004207154 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004207159 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004207161 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004207163 IJ Annotated Anodyne CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207483 IJ Annotated Bother CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207484 IJ Annotated Bother CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207485 IJ Annotated Bother CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207486 IJ Annotated Bother O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004207499 IJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004207500 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004208430 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004208431 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004208432 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004208433 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004208550 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004208551 IJ Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208842 IJ Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004208848 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)cc1 ZINC000004209487 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)cc1 ZINC000004209494 IJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004211523 IJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004211525 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004211670 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004211674 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCN(CC)CC ZINC000004213539 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCN(CC)CC ZINC000004213540 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCN(CC)CC ZINC000004213543 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCN(CC)CC ZINC000004213545 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCN(CC)CC ZINC000004213582 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCN(CC)CC ZINC000004213583 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCN(CC)CC ZINC000004213585 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCN(CC)CC ZINC000004213587 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCC ZINC000004213811 IJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCC ZINC000004213812 IJ Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCC ZINC000004213814 IJ Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCC ZINC000004213815 IJ Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCCOC ZINC000004214011 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCCOC ZINC000004214013 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCCOC ZINC000004214015 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCCOC ZINC000004214017 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000004214318 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000004214321 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCN1CCCC1=O ZINC000004214323 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCCN1CCCC1=O ZINC000004214324 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCC#N ZINC000004214513 IJ Annotated Mild CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCC#N ZINC000004214515 IJ Annotated Mild CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCC#N ZINC000004214516 IJ Annotated Mild CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCC#N ZINC000004214517 IJ Annotated Mild CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215435 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215436 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215437 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004215441 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215475 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215476 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215478 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215480 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216232 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216239 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216247 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216254 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216397 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216399 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216403 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216404 IJ Annotated Anodyne O=c1c(-c2cccs2)nc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1 ZINC000004238260 IJ Annotated Anodyne O=c1c(CCc2ccccc2)nc2cnc(Nc3ccccc3)nc2n1Cc1cccs1 ZINC000004238283 IJ Annotated Anodyne O=c1c(-c2ccc(F)cc2)nc2cnc(Nc3ccccc3)nc2n1Cc1cccs1 ZINC000004238351 IJ Annotated Anodyne O=c1c(-c2ccc(F)cc2)nc2cnc(Oc3ccccc3)nc2n1Cc1cccs1 ZINC000004238677 IJ Annotated Anodyne COc1ccc(CNc2nc(-c3ccccc3CN(C)C)nc3ccccc23)c(OC)c1 ZINC000004267199 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274355 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274364 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274374 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274384 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274547 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274549 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274551 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274553 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274622 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274624 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274626 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274628 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274897 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274898 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274899 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004274900 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275079 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275080 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275081 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275082 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N(C)C ZINC000004294958 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N(C)C ZINC000004294959 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N(C)C ZINC000004294960 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N(C)C ZINC000004294961 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004294962 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004294965 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004294966 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004294971 IJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004295793 IJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004295794 IJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000004295798 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296120 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296123 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296138 IJ Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296141 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296168 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296170 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCN(CC)CC ZINC000004310606 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCN(CC)CC ZINC000004310607 IJ Annotated Anodyne CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCN(CC)CC ZINC000004310608 IJ Annotated Anodyne CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCN(CC)CC ZINC000004310609 IJ Annotated Anodyne COCCCN(C(S)=Nc1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000004337147 IJ Annotated Mild COCCCN(/C(S)=N\c1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000004337152 IJ Annotated Mild COc1ccccc1OCCN1C[C@H](COc2cccc3[nH]c4ccccc4c23)OC1=O ZINC000004352901 IJ Annotated Anodyne COc1ccccc1OCCN1C[C@@H](COc2cccc3[nH]c4ccccc4c23)OC1=O ZINC000004352902 IJ Annotated Anodyne CC(C)CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC(=O)CC(C)C ZINC000004391818 IJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)Oc4c(c(O)cc5c4COC5=O)C[C@@H]32)C1(C)C ZINC000004393205 IJ Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)Oc4cc(C)c(C(=O)O)c(O)c4C[C@H]23)C1(C)C ZINC000004394008 IJ Annotated Anodyne COc1c([N+](=O)[O-])cc2c(c1Br)O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000004420035 IJ Annotated Bother COc1c([N+](=O)[O-])cc2c(c1Br)O[C@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000004420037 IJ Annotated Bother C[C@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@@H]2N(C)C1 ZINC000040373765 IJ Annotated Anodyne C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@@H]2N(C)C1 ZINC000040373769 IJ Annotated Anodyne C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@@H]2N(C)C1 ZINC000040373773 IJ Annotated Anodyne C[C@H](OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C3CCCCCC3)C[C@@H]2N(C)C1)[C@@H](C)O ZINC000040373777 IJ Annotated Anodyne CCCCOc1ccc2[nH]c(-c3ccccc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040379283 IJ Annotated Anodyne Cc1cc(NC(=O)c2ccc(CO)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040379390 IJ Annotated Anodyne COc1ccc(CN2CCO[C@@]3(C2)CC(C)(C)Oc2ccc(Br)cc23)cc1 ZINC000040379649 IJ Annotated Anodyne COc1ccc(CN2CCO[C@]3(C2)CC(C)(C)Oc2ccc(Br)cc23)cc1 ZINC000040379650 IJ Annotated Anodyne C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(C)=O)[C@@H](C[C@H]12)C3(C)C ZINC000040379830 IJ Annotated Mild COc1cccc(CN2CCO[C@@]3(C2)CC(C)(C)Oc2ccc(Br)cc23)c1 ZINC000040380493 IJ Annotated Anodyne COc1cccc(CN2CCO[C@]3(C2)CC(C)(C)Oc2ccc(Br)cc23)c1 ZINC000040380494 IJ Annotated Anodyne O=C(N/N=C/c1ccc(Br)cc1)c1nc2ccccc2nc1-c1ccccc1 ZINC000040392641 IJ Annotated Reactive COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H]1O[C@H]2[C@H](C)[C@@H]1C ZINC000040392863 IJ Annotated Anodyne COc1cc(/C=C/C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc(OC)c1O ZINC000040392889 IJ Annotated Anodyne O=C(N/N=C/c1ccco1)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1 ZINC000040392911 IJ Annotated Reactive Cc1cc(-n2cccn2)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21 ZINC000040393161 IJ Annotated Anodyne O=C1C(Cl)=C(Nc2ccccc2)C(=O)c2nc(-c3ccccn3)c(-c3ccccn3)nc21 ZINC000040393339 IJ Annotated Mild CC(C)[C@H]1CC[C@H]([C@@]2(O)CC[C@H]3[C@@H]4CC[C@H]5CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)[C@H](O)O1 ZINC000040394315 IJ Annotated Mild CN(C)c1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccccc2)cc1 ZINC000040394565 IJ Annotated Reactive CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1Nc1ccc(Br)cc1 ZINC000040394567 IJ Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)C[C@@](O)([C@@H]3CC(=O)C(C)=C[C@H]3O)CC[C@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000040394766 IJ Annotated Mild N#Cc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccc(F)cc2)cc1 ZINC000040394998 IJ Annotated Reactive COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@@](C)(C(F)(F)F)OCC2 ZINC000040395238 IJ Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N/N=C/c3ccc(O)cc3)c12 ZINC000040395249 IJ Annotated Reactive CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Nc1ccc(Br)cc1 ZINC000040395356 IJ Annotated Anodyne CCc1c(Cc2c(F)cccc2Cl)nc(SCC(=O)c2ccc(F)cc2)[nH]c1=O ZINC000040401374 IJ Annotated Anodyne Cc1csc(NC(=O)c2cc(Oc3ccccc3S(C)(=O)=O)cc(OC(C)C)c2)n1 ZINC000040402619 IJ Annotated Anodyne CN1C(=O)[C@@]2(c3ccccc31)N(C)C[C@@H](c1ccc(Cl)cc1)[C@@]21Cc2ccccc2C1=O ZINC000040402746 IJ Annotated Anodyne CNC(=O)c1c(C)c2c(c(C(=O)NC)c1-c1ccccc1OC)Nc1ccccc1S2 ZINC000040403850 IJ Annotated Anodyne COC(=O)c1sc(N(Cc2ccc(C(C)=O)cc2)Cc2ccc(C(C)=O)cc2)nc1C ZINC000040406226 IJ Annotated Anodyne O=C(CNC(=O)c1ccc(F)cc1)NC[C@H]1c2ccccc2Sc2ccc(Cl)cc21 ZINC000040406321 IJ Annotated Anodyne O=C(CNC(=O)c1ccc(F)cc1)NC[C@@H]1c2ccccc2Sc2ccc(Cl)cc21 ZINC000040406324 IJ Annotated Anodyne CC(C)=CCOc1ccc(C(=O)/C=C/c2sccc2C)c(O)c1CN1CCOCC1 ZINC000040409552 IJ Annotated Mild O=C(CSc1snnc1-c1ccc(F)cc1F)Nc1ccccc1Br ZINC000040411091 IJ Annotated Anodyne CCCc1cccc2c(C3=C(Br)C(=O)NC3=O)c(-c3ccc(OC)cc3)[nH]c12 ZINC000040411153 IJ Annotated Anodyne CCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040411171 IJ Annotated Anodyne CCN(CC)CCN(C)S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000040412557 IJ Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]2c3cc(Br)ccc3OC[C@@H]21 ZINC000040412737 IJ Annotated Mild Cc1cc(C#N)cc(C)c1Nc1nc(Nc2ccc(C#N)cc2)nc(CO)c1Br ZINC000040420606 IJ Annotated Mild C/C(=C/SCc1ccccc1)n1c(C(=O)c2ccc(Br)cc2)noc1=O ZINC000040421150 IJ Annotated Anodyne CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)C[C@@H](C)[C@@H](O)C[C@H](O)/C=C\C=C/c1cccc(O)c1Cl ZINC000040421745 IJ Annotated Anodyne CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)C[C@@H](C)[C@@H](O)C[C@H](O)/C=C/C=C\c1cccc(O)c1Cl ZINC000040421989 IJ Annotated Anodyne c1ccc2c(c1)CCCc1c-2n(CCc2nnn(CCN3CCCCC3)n2)c2ccccc12 ZINC000040422658 IJ Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccccc2)=C/C(=N\O)C[C@H]1C ZINC000040423852 IJ Annotated Mild CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1ccccc1 ZINC000040424220 IJ Annotated Anodyne CCC[C@H]1OC(=O)[C@]2(S(=O)(=O)c3ccccc3)C/C=C\CCCCCCOCC[C@H]12 ZINC000040425323 IJ Annotated Anodyne O=C1N=C(O)/C(=C\c2ccc(OCCN3c4ccccc4Oc4ccccc43)cc2)C(=O)N1 ZINC000040429837 IJ Annotated Clean C=CCN1C[C@H]2c3nc4ccccc4c(C)c3C[C@@H]1CN2Cc1ccc(OC)cc1OC ZINC000040429858 IJ Annotated Mild COc1cc2c([C@@H](O)CCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000040430019 IJ Annotated Bother COc1cc2c([C@H](O)CCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000040430021 IJ Annotated Bother CN1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000040430038 IJ Annotated Anodyne CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1ccc(Cl)cc1N2c1ccccc1 ZINC000040430410 IJ Annotated Anodyne CC1(C)COP(=O)(C(CCC(=O)c2cccnc2)P2(=O)OCC(C)(C)CO2)OC1 ZINC000040464970 IJ Annotated Anodyne C(=N\Nc1ccccn1)\c1ccc(-c2cn3cc(/C=N\Nc4ccccn4)ccc3n2)cc1 ZINC000040492391 IJ Annotated Mild C(=N\Nc1ccccn1)\c1ccc2nc(-c3ccc(/C=N/Nc4ccccn4)cc3)cn2c1 ZINC000040492392 IJ Annotated Mild C(=N\Nc1ccccn1)\c1ccc(-c2cn3cc(/C=N/Nc4ccccn4)ccc3n2)cc1 ZINC000040492394 IJ Annotated Mild COC(=O)c1cc(-c2ccc(O)c(OC)c2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2 ZINC000040566067 IJ Annotated Anodyne c1cc(NC2=NCCN2)ccc1CCCCCCCCCc1ccc(NC2=NCCN2)cc1 ZINC000040566077 IJ Annotated Anodyne COC[C@H](C)Nc1nccc(N(C(=O)NCc2ccccc2Cl)c2ccc(F)cc2)n1 ZINC000040566079 IJ Annotated Anodyne CCn1c([S@@](=O)c2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 ZINC000040567422 IJ Annotated Anodyne CCn1c([S@](=O)c2ccccc2Cl)nc2cnc(Oc3c(F)cccc3F)nc21 ZINC000040567424 IJ Annotated Anodyne O=C(c1nc([C@H](O)c2cccnc2)c[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000040568408 IJ Annotated Anodyne O=C(c1nc([C@@H](O)c2cccnc2)c[nH]1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000040568410 IJ Annotated Anodyne Cn1cc([C@@H](C(=O)Nc2ccc3ccccc3c2)P(=O)(O)O)c2cc(Cl)ccc21 ZINC000040584893 IJ Annotated Anodyne Cn1cc([C@H](C(=O)Nc2ccc3ccccc3c2)P(=O)(O)O)c2cc(Cl)ccc21 ZINC000040584895 IJ Annotated Anodyne O=C(N/C=C/c1ccc(F)cc1)[C@@H](c1csc2ccc(Cl)cc12)P(=O)(O)O ZINC000040585130 IJ Annotated Anodyne O=C(N/C=C/c1ccc(F)cc1)[C@H](c1csc2ccc(Cl)cc12)P(=O)(O)O ZINC000040585132 IJ Annotated Anodyne CCN(CC)CC(=O)O[C@@H]1CC2(N(C)C)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040587835 IJ Annotated Anodyne CCOC(=O)C1=NN(c2ccc(C)cc2)/C(=C(\C#N)C(=O)c2c[nH]c3ccccc23)S1 ZINC000040602288 IJ Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1C1CCCCC1 ZINC000040677062 IJ Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1C1CCCCC1 ZINC000040677064 IJ Annotated Reactive Cn1cc([C@@H](C(=O)N/C=C/c2ccc(F)c(F)c2)[P@](C)(=O)O)c2cc(Cl)ccc21 ZINC000040753253 IJ Annotated Anodyne Cn1cc([C@H](C(=O)N/C=C/c2ccc(F)c(F)c2)[P@](C)(=O)O)c2cc(Cl)ccc21 ZINC000040753256 IJ Annotated Anodyne CC(C)(C)OC(=O)C1=C(N2CCCC2)[C@H]2c3ccccc3S[C@]12C(=O)OC(C)(C)C ZINC000040763999 IJ Annotated Anodyne CC(C)(C)OC(=O)C1=C(N2CCCC2)[C@@H]2c3ccccc3S[C@]12C(=O)OC(C)(C)C ZINC000040764000 IJ Annotated Anodyne CC(C)(C)OC(=O)C1=C(N2CCCC2)[C@@H]2c3ccccc3S[C@@]12C(=O)OC(C)(C)C ZINC000040764001 IJ Annotated Anodyne COc1ccc([C@H]2C[C@](O)(c3cccc(Cl)c3)[C@H]3C(=O)Nc4ccccc4C(=O)[C@H]23)cc1 ZINC000040764020 IJ Annotated Anodyne COc1cc(/C=C\Cc2cc(OP(=O)(O)O)c3ccsc3c2)cc(OC)c1OC ZINC000040764142 IJ Annotated Anodyne OCc1cccc(/C=N/c2cc(/N=C/c3cccc(CO)c3O)cc(C(F)(F)F)c2)c1O ZINC000040764292 IJ Annotated Mild O=C(c1cccnc1)c1cnc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)[nH]1 ZINC000040791392 IJ Annotated Anodyne Cn1c(C(=O)c2ccccc2)c(-c2ccc(F)cc2)c(-c2ccncc2)c1N1CCNCC1 ZINC000040818383 IJ Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C(=O)OC2CCCCC2)[C@@]13C(=O)O ZINC000040818589 IJ Annotated Mild CN(CCF)C(=O)c1cc2ccccc2c(-c2ccccc2I)n1 ZINC000040829323 IJ Annotated Anodyne Cc1cccc(N2C(=O)CS[C@H]2c2c(Br)cccc2Br)n1 ZINC000040835514 IJ Annotated Anodyne Cc1cccc(N2C(=O)CS[C@@H]2c2c(Br)cccc2Br)n1 ZINC000040835516 IJ Annotated Anodyne CN1C(c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)=CS(=O)(=O)c2ccccc21 ZINC000040846261 IJ Annotated Anodyne COc1ccccc1CN1CCO[C@@]2(C1)CC(C)(C)Oc1ccc(Br)cc12 ZINC000040846376 IJ Annotated Anodyne COc1ccccc1CN1CCO[C@]2(C1)CC(C)(C)Oc1ccc(Br)cc12 ZINC000040846377 IJ Annotated Anodyne O[C@@H](CN1CCN(C/C=C/c2ccccc2)CC1)CN(c1ccccc1)c1ccccc1 ZINC000040847548 IJ Annotated Anodyne O[C@H](CN1CCN(C/C=C/c2ccccc2)CC1)CN(c1ccccc1)c1ccccc1 ZINC000040847550 IJ Annotated Anodyne O=C(Nc1c(O)cccc1-c1nc2c(C(=O)O)cccc2o1)c1ccc(F)c(F)c1F ZINC000040848052 IJ Annotated Anodyne CC(=O)OCc1ccc2oc(=O)c(C(=O)Sc3cccc(Br)c3)cc2c1 ZINC000040848382 IJ Annotated Anodyne O=C1OCC2=C1[C@H](c1cc(C(F)(F)F)cc(Cl)c1F)c1cc3c(cc1N2)OCO3 ZINC000040849088 IJ Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(C(F)(F)F)cc(Cl)c1F)c1cc3c(cc1N2)OCO3 ZINC000040849090 IJ Annotated Anodyne Brc1ccc(C2=NN[C@H](c3ccc(Br)cc3)[C@H]2n2ccnc2)cc1 ZINC000040860130 IJ Annotated Anodyne Cc1ccc(CN2C[C@@]3(CC(C)(C)Oc4ccc(Br)cc43)OCC2=O)cc1 ZINC000040860393 IJ Annotated Anodyne Cc1ccc(CN2C[C@]3(CC(C)(C)Oc4ccc(Br)cc43)OCC2=O)cc1 ZINC000040860395 IJ Annotated Anodyne O[C@@H](CN1CCN(C/C=C/c2ccccc2)CC1)CN1c2ccccc2Oc2ccccc21 ZINC000040860675 IJ Annotated Anodyne O[C@H](CN1CCN(C/C=C/c2ccccc2)CC1)CN1c2ccccc2Oc2ccccc21 ZINC000040860677 IJ Annotated Anodyne COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(C(F)(F)F)n1 ZINC000040861974 IJ Annotated Anodyne COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2ccccc2)cn1 ZINC000040863231 IJ Annotated Anodyne C[C@@H](OC[C@@]1(c2ccccc2)C[C@@H](N)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040863847 IJ Annotated Anodyne N#Cc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(C(F)(F)F)c1 ZINC000040864266 IJ Annotated Mild N#Cc1ccc(Nc2nc(N)nc(Oc3ccc4ccccc4c3Br)n2)cc1 ZINC000040865344 IJ Annotated Mild N#Cc1ccc(N2CCc3c(-n4ccc(-c5ccccn5)n4)ccnc32)c(C(F)(F)F)c1 ZINC000040865861 IJ Annotated Mild Cc1nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)nc(C)c1Br ZINC000040872712 IJ Annotated Anodyne Cc1nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)nc(C)c1Br ZINC000040872714 IJ Annotated Anodyne CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 ZINC000040873870 IJ Annotated Bother CN(C)CCSc1ccc(-c2cc(-c3ccco3)nc(SCCN(C)C)n2)cc1 ZINC000040875302 IJ Annotated Anodyne Cc1ccc(-c2cncc(NC(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)c2)s1 ZINC000040878180 IJ Annotated Anodyne Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3NC(=N)N)c2c1 ZINC000040878764 IJ Annotated Anodyne CCOc1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccccc2)cc1 ZINC000040879845 IJ Annotated Reactive CN(C)CCN1C(=O)c2cccc3c(Sc4nc5ccccc5s4)ccc(c23)C1=O ZINC000040891510 IJ Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2F)CC[C@@H]1NC1C2CC3CC(C2)CC1C3 ZINC000040892042 IJ Annotated Anodyne CCOC(=O)C1=C(NC2C3CC4CC(C3)CC2C4)CCN(Cc2ccc(Cl)cc2F)C1 ZINC000040893314 IJ Annotated Anodyne O=c1c2ccccc2nc(/C=C/c2ccncc2)n1-c1nnc(/C=C/c2ccccc2)s1 ZINC000040893411 IJ Annotated Anodyne CCOC(=O)c1cc2c(CN(C)C)c(O)c(OC)cc2nc1CSc1ccc(F)cc1 ZINC000040897393 IJ Annotated Clean O=[N+]([O-])c1ccc(OC2[C@@H](Cn3ccnc3)CCC[C@@H]2Cn2ccnc2)c(C(F)(F)F)c1 ZINC000040897608 IJ Annotated Bother O=[N+]([O-])c1ccc(OC2[C@H](Cn3ccnc3)CCC[C@H]2Cn2ccnc2)c(C(F)(F)F)c1 ZINC000040897611 IJ Annotated Bother CCC(CC)Nc1nc(C)nc2c(-c3cc(OC)c(OC)cc3Br)c(C)nn12 ZINC000040899872 IJ Annotated Anodyne O=C1C2=C(C(=O)[C@H]1c1ccccc1)[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000040899899 IJ Annotated Mild O=C1C2=C(C(=O)[C@@H]1c1ccccc1)[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000040899901 IJ Annotated Mild CN1C[C@@H](c2ccccc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000040900697 IJ Annotated Anodyne CNC(=O)c1c(C)c2c(c(C(=O)NC)c1-c1ccc(OC)cc1)Nc1ccccc1S2 ZINC000040900965 IJ Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000040913787 IJ Annotated Anodyne Cc1cc(C)n2nc(S[C@@H](C)c3nnc(SCc4ccc(Cl)cc4)o3)nc2n1 ZINC000040916185 IJ Annotated Anodyne Cc1cc(C)n2nc(S[C@H](C)c3nnc(SCc4ccc(Cl)cc4)o3)nc2n1 ZINC000040916187 IJ Annotated Anodyne COc1cc(-c2c(C#N)c(=O)oc3c2ccc2cnccc23)cc(Br)c1OC ZINC000040917881 IJ Annotated Mild Cc1cc(C)n2nc(S[C@@H](C)c3nnc(SCc4cccc(Cl)c4)o3)nc2n1 ZINC000040917884 IJ Annotated Anodyne Cc1cc(C)n2nc(S[C@H](C)c3nnc(SCc4cccc(Cl)c4)o3)nc2n1 ZINC000040917885 IJ Annotated Anodyne Clc1cccc(CO/N=C2\c3cccc(Br)c3CC[C@@H]2Cn2cncn2)c1 ZINC000040917973 IJ Annotated Mild Clc1cccc(CO/N=C2\c3cccc(Br)c3CC[C@H]2Cn2cncn2)c1 ZINC000040917974 IJ Annotated Mild N=C1S/C(=C\c2c[nH]nc2-c2ccc(N3CCCCC3)cc2)C(=O)N1c1nccs1 ZINC000040918287 IJ Annotated Anodyne COc1cc(-c2nn(-c3ccccc3)c3nnc(-c4ccccc4)nc23)cc(OC)c1OC ZINC000040918727 IJ Annotated Anodyne O=c1c2ncn(-c3ccccc3)c2nc(NCc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000040933234 IJ Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)c2ccccc2)[C@H]1Br ZINC000040933635 IJ Annotated Reactive Cc1cc(NC(=O)c2ccccc2CO)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040933950 IJ Annotated Anodyne CCSC(=S)SCC(=O)c1ccc(CC(=O)Nc2ccc(OC)cc2)s1 ZINC000040934087 IJ Annotated Anodyne CN(C)c1ccc2c(-c3ccc(N4CCOCC4)cc3)c3ccc(=[N+](C)C)cc-3sc2c1 ZINC000040934123 IJ Annotated Bother CC1=C2C[C@H]3[C@@H](CC[C@@H]4CNC(=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000040935431 IJ Annotated Anodyne COC(=O)c1ccccc1Nc1c2c(=O)nc(-c3ccccc3)nc-2n(C)c2ccccc12 ZINC000040936837 IJ Annotated Bother COc1cc(Nc2cncc(Oc3ccc4c(c3)CCC/C4=N\O)n2)cc(OC)c1OC ZINC000040937614 IJ Annotated Mild COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(OCc4ccccc4)ccc32)c1 ZINC000040938754 IJ Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(OCc4ccccc4)ccc32)c1 ZINC000040938756 IJ Annotated Anodyne CCCN(CCCCn1ccc2cc(F)ccc21)[C@H]1COc2c(F)ccc(C(N)=O)c2C1 ZINC000040939384 IJ Annotated Anodyne CCCN(CCCCn1ccc2cc(F)ccc21)[C@@H]1COc2c(F)ccc(C(N)=O)c2C1 ZINC000040939386 IJ Annotated Anodyne CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@H]2c3cc(Br)ccc3OC[C@H]21 ZINC000040939718 IJ Annotated Mild CC(C)(C)OC(=O)N1CC2=C(C1=O)[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000040940374 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2=C(C1=O)[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 ZINC000040940376 IJ Annotated Anodyne c1ccc2c(c1)CCCc1c-2n(CCc2nnnn2CCN2CCCCC2)c2ccccc12 ZINC000040943253 IJ Annotated Anodyne CC(C)CCC[C@](C)(O)[C@H]1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21CO ZINC000040943405 IJ Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccc(C)cc2)=CC(=O)C[C@H]1C ZINC000040949594 IJ Annotated Mild Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)cccc12)c1cccc(Cl)c1 ZINC000040950113 IJ Annotated Anodyne C=CCN1C[C@@H]2c3nc4ccccc4c(C)c3C[C@H]1CN2Cc1ccc(OC)cc1OC ZINC000040950252 IJ Annotated Mild CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(C)=O)C[C@H]1C[C@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 ZINC000040950359 IJ Annotated Anodyne Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1 ZINC000040951665 IJ Annotated Anodyne O=S1(=O)C=C(c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)Nc2ccccc21 ZINC000040954741 IJ Annotated Anodyne O=C(O[C@H]1CCc2ccccc21)c1cc(CO)cc(C(=O)O[C@@H]2CCc3ccccc32)c1 ZINC000040955080 IJ Annotated Anodyne COC(=O)c1ccc(NCc2cncn2Cc2ccccc2[N+](=O)[O-])cc1-c1ccccc1 ZINC000040955302 IJ Annotated Bother OC[C@H](OCc1ccccc1)[C@@H](NCc1ccccc1)c1ccccc1Br ZINC000040955777 IJ Annotated Anodyne CCOP(=O)(/C=C/c1cc(OC)c(O)c(-c2cc(C=O)cc(OC)c2O)c1)OCC ZINC000040957668 IJ Annotated Anodyne COCc1ccccc1C#CC#Cc1cc(CN(C)C)sc1C(=O)C#CC#CC(C)(C)C ZINC000040972785 IJ Annotated Mild CC(C)=CC(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)N(C)C)=CC[C@H]4[C@@H]3CC[C@H]2[C@H]1O ZINC000040975610 IJ Annotated Anodyne in-vitro O=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1cnc2ncc(Cl)cc2c1 ZINC000040976071 IJ Annotated Anodyne CC(=O)Nc1cccc2c(Oc3cncc(Nc4ccc5c(c4)C(=O)OC5)n3)cccc12 ZINC000040977321 IJ Annotated Anodyne CC[C@H](Cn1nc(C(F)(F)F)cc1C1CCNCC1)OC(=O)Nc1ccc(F)cc1F ZINC000042887332 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@]13O[C@@]21[C@H](O)[C@@H]1O[C@@]12C[C@@H](O)CC[C@]32C ZINC000042889702 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@]13O[C@@]21[C@H](O)[C@@H]1O[C@@]12C[C@@H](O)CC[C@]32C ZINC000042889706 IJ Annotated Anodyne CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@]13O[C@@]21[C@H](O)[C@@H]1O[C@@]12C[C@@H](O)CC[C@]32C ZINC000042889930 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1-c1c(O)ccc2c1OCO2)c1cc(Cl)ccc1Cl ZINC000042890753 IJ Annotated Anodyne CCCCCCCCCCOC(=O)C[C@@H]1C[C@@H](O)C[C@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000042921311 IJ Annotated Mild O=C(CCl)Nc1ccc(Cl)cc1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000042965534 IJ Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2ccccc2Cl)s1 ZINC000042966373 IJ Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2Cl)s1 ZINC000042966375 IJ Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2ccccc2Cl)s1 ZINC000042966377 IJ Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2ccccc2Cl)s1 ZINC000042966380 IJ Annotated Reactive COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(\C)CCCC(C)(C)O ZINC000042989962 IJ Annotated Bother Cc1ccc(CN2C(=O)CN(C(=O)c3cc4ccccc4o3)C[C@H]2Cc2ccccc2)cc1 ZINC000043009194 IJ Annotated Anodyne Cc1ccc(CN2C(=O)CN(C(=O)c3cc4ccccc4o3)C[C@@H]2Cc2ccccc2)cc1 ZINC000043009197 IJ Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC2(C)C)c2ncccc2c1 ZINC000043010822 IJ Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC2(C)C)c2ncccc2c1 ZINC000043010825 IJ Annotated Anodyne N#CSc1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(Cc3noc4ccccc34)nn12 ZINC000043011083 IJ Annotated Reactive COc1ccc(-c2nc3sc(Cc4noc5ccccc45)nn3c2Br)cc1 ZINC000043011803 IJ Annotated Anodyne CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc21 ZINC000043019229 IJ Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc21 ZINC000043019231 IJ Annotated Anodyne Cc1c(CN2CCN(C(=O)Nc3ccc(Br)nc3)CC2)sc2ccccc12 ZINC000043019552 IJ Annotated Anodyne CSC1=NC(=O)/C(=C/c2cn(CCCCCOc3ccc(C#N)cc3)c3ccccc23)N1 ZINC000043021913 IJ Annotated Mild CC[C@@H]1CN(C(=O)c2cc3ccccc3o2)CC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000043023060 IJ Annotated Anodyne CC[C@H]1CN(C(=O)c2cc3ccccc3o2)CC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000043023063 IJ Annotated Anodyne CC1(C)CCC2=C(C1=O)[C@H](c1cc(C(F)(F)F)cc(Cl)c1F)C1=C(COC1=O)N2 ZINC000043061263 IJ Annotated Mild CC1(C)CCC2=C(C1=O)[C@@H](c1cc(C(F)(F)F)cc(Cl)c1F)C1=C(COC1=O)N2 ZINC000043061266 IJ Annotated Mild COc1cc(-c2ccc3c(c2)Nc2ccc(C(C)(C)CO)cc2NC3=O)ccc1[N+](=O)[O-] ZINC000043061778 IJ Annotated Bother CCN(CC)c1ccc(NC(=O)N2CCN(Cc3sc4ccccc4c3C)CC2)cn1 ZINC000043062969 IJ Annotated Anodyne Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2ccc(Cl)cc2)s1 ZINC000043063084 IJ Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000043063088 IJ Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2ccc(Cl)cc2)s1 ZINC000043063092 IJ Annotated Reactive Cc1nc2ccccc2n1Cc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000043063096 IJ Annotated Reactive COCCCn1c(CN2C(=O)/C(=N/OC3CCCCC3)c3ccccc32)nc2ccccc21 ZINC000043063240 IJ Annotated Mild CCC(CC)O/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCOC)c2ccccc21 ZINC000043068837 IJ Annotated Mild CCCCCO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCOC)c2ccccc21 ZINC000043073668 IJ Annotated Mild COc1cc(-c2ccc3c(c2)Nc2ccc(C(C)(C)C(=O)O)cc2NC3=O)ccc1[N+](=O)[O-] ZINC000043074242 IJ Annotated Bother N#Cc1ccc(OCCCCCCn2cc(/C=C3\N=C(S)NC3=O)c3ccccc32)cc1 ZINC000043074784 IJ Annotated Mild O=C(CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1)NCc1ccc(F)cc1 ZINC000043074975 IJ Annotated Anodyne Cc1cc(=O)oc2cc(-c3ccc(NC(=O)CCC(=O)O)cc3)c3c(c12)OC(C)(C)C=C3 ZINC000043075234 IJ Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc2c(c1)OCCO2 ZINC000043079553 IJ Annotated Anodyne N#Cc1ccc(OCCCCCn2cc(/C=C3\N=C(S)NC3=O)c3ccccc32)cc1 ZINC000043079731 IJ Annotated Mild COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](C(C)C)NC23CCCCC3)c2ncccc2c1 ZINC000043119337 IJ Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](C(C)C)NC23CCCCC3)c2ncccc2c1 ZINC000043119341 IJ Annotated Anodyne CC(C)(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc21 ZINC000043119383 IJ Annotated Anodyne CN1CCOc2cc(S(=O)(=O)Nc3sccc3-c3nc4ccccc4s3)ccc21 ZINC000043119979 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(-c3ccc(NS(C)(=O)=O)cc3)c3c(c12)OC(C)(C)C=C3 ZINC000043122247 IJ Annotated Anodyne CCN(CC)CCOc1ccc2c(=O)c3ccc(Cl)cc3n(CCN(CC)CC)c2c1 ZINC000043176008 IJ Annotated Bother in-vivo CN1CCC(COCc2cc(C(F)(F)F)cc(N3CC=CC3)n2)(c2ccc(F)cc2)CC1 ZINC000043178341 IJ Annotated Anodyne Cc1nnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)s1 ZINC000043197026 IJ Annotated Anodyne CCCOC1CN(C(=O)c2cc3c(nc(C)n3C)c3c2CC[C@@H](c2ccccc2C)O3)C1 ZINC000043197386 IJ Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1 ZINC000043197798 IJ Annotated Anodyne O=C(O)c1ccc(-n2ncc(C(=O)NC3C4CC5CC(C4)CC3C5)c2C2CCCC2)cc1 ZINC000043197911 IJ Annotated Anodyne C/C(=C\C(=O)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1)c1ccc(C(F)(F)F)nc1 ZINC000043202581 IJ Annotated Clean Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CCNCC2)c2ccncc2n1-c1ccccc1 ZINC000043206827 IJ Annotated Anodyne O=P(OCc1cccs1)(N(CCCl)CCCl)N(CCCl)CCCl ZINC000043260348 IJ Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@H]1COC2(CCC(O)(CC(=O)OCC)CC2)OO1 ZINC000043490948 IJ Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1COC2(CCC(O)(CC(=O)OCC)CC2)OO1 ZINC000043490951 IJ Annotated Reactive CCCCCCCCC[C@@H](O)C1=C[C@@H](OC(C)C)O[C@H](COC(=O)C(C)(C)C)C1=O ZINC000043552944 IJ Annotated Mild CCCCCCCCC[C@@H](O)C1=C[C@@H](OC(C)C)O[C@H](COC(=O)C(C)(C)C)[C@H]1O ZINC000043562132 IJ Annotated Mild CCCCCCCCCCCCO[C@@H](c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O ZINC000043589894 IJ Annotated Mild CCCCCCCCCCCCO[C@H](c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O ZINC000043589895 IJ Annotated Mild CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)n1cc(CCCC)nn1 ZINC000044093792 IJ Annotated Mild CC(=O)S[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 ZINC000044246989 IJ Annotated Anodyne CC(=O)S[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 ZINC000044247182 IJ Annotated Anodyne CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34O[C@@H]3[C@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@H]4CC[C@]12C ZINC000044362160 IJ Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@]34O[C@@H]3[C@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@H]4CC[C@]12C ZINC000044362166 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000004547136 IJ Annotated Anodyne CN(C)P(=NP(=S)(Oc1ccccc1)Oc1ccccc1)(N(C)C)N(C)C ZINC000004593425 IJ Annotated Reactive Cc1[nH]c(C)c(-c2ccc(Oc3ccc([S@](C)=O)cc3)cc2)c(=O)c1Br ZINC000004640381 IJ Annotated Anodyne Cc1nn(-c2ccccc2)c2c1C(N1CCCCC1)=N[P@@](=S)(N1CCCCC1)N2 ZINC000004745238 IJ Annotated Reactive Cc1ccc(-n2cc(-c3ccccc3)nc2S(=O)(=O)CC(=O)Nc2cccc(C)c2)cc1 ZINC000004765521 IJ Annotated Anodyne O=C(CS(=O)(=O)c1cn(Cc2ccccc2Cl)c2ccccc12)NC1CCCCC1 ZINC000004766343 IJ Annotated Anodyne Cc1sc2ncnc(Nc3cccc(Cl)c3)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000004799567 IJ Annotated Anodyne CC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000004799943 IJ Annotated Anodyne CC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000004799945 IJ Annotated Anodyne CC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000004799947 IJ Annotated Anodyne CC[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000004799949 IJ Annotated Anodyne CCN(CC)c1ccc(/C=C2\CCC(/C=N/N=C/c3cccnc3)=C2N2CCOCC2)cc1 ZINC000004872158 IJ Annotated Mild COc1cc(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c(Cl)cc1O ZINC000045167511 IJ Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(OCCSc3ccncc3)cc2)c(=O)c1Br ZINC000045167766 IJ Annotated Anodyne COc1ccc(-c2nc3cccnc3n2CC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 ZINC000045168772 IJ Annotated Anodyne COc1cc(C)ccc1S(=O)(=O)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 ZINC000045186962 IJ Annotated Anodyne N#Cc1ccc(NC2(C(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2)c2ccccc12 ZINC000045188058 IJ Annotated Mild Clc1ccc(-c2cc(-c3csc(NCCN4CCOCC4)n3)on2)c(Cl)c1 ZINC000045188262 IJ Annotated Anodyne Oc1ccc2c(CNCCc3ccccc3)c(O)ccc2c1CNCCc1ccccc1 ZINC000045189804 IJ Annotated Clean CCCCCCNC(=O)[C@@H]1Cc2c([nH]c3cc(Cl)ccc23)C2(CCN(CCC)CC2)N1 ZINC000045191145 IJ Annotated Anodyne CCCCCCNC(=O)[C@H]1Cc2c([nH]c3cc(Cl)ccc23)C2(CCN(CCC)CC2)N1 ZINC000045191148 IJ Annotated Anodyne CCCNC(=O)Nc1cc2cc(-c3ccc(CN4CCCC4)cc3)ccc2n2c(C)nnc12 ZINC000045192471 IJ Annotated Anodyne COc1ccc(CNCc2ccc(-c3ccc(CNCCc4ccccc4)cn3)cc2)cn1 ZINC000045194583 IJ Annotated Anodyne CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)c1cccc(C(=O)O)c1 ZINC000045194628 IJ Annotated Anodyne N[C@@H](CCNC1CCN(c2cccc(C(F)(F)F)c2)CC1)Cc1ccc(F)c(F)c1 ZINC000045194797 IJ Annotated Anodyne CN(C)CCN1CCN(Cc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)CC1 ZINC000045201262 IJ Annotated Anodyne CCCCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000045201557 IJ Annotated Mild Cc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)NCCc5cn(C)cn5)cc4)s3)nc12 ZINC000045201672 IJ Annotated Anodyne Cc1ccc(CN(Cc2ccc(C(=O)N(C)C)cc2)Cc2ccc3c(c2)OCCO3)cc1C ZINC000045201752 IJ Annotated Anodyne Nc1c(Cl)cc([C@H](O)CNCCCCCCOCCC=C2CCOCC2)cc1Cl ZINC000045201937 IJ Annotated Anodyne Nc1c(Cl)cc([C@@H](O)CNCCCCCCOCCC=C2CCOCC2)cc1Cl ZINC000045201940 IJ Annotated Anodyne COc1cc2nc(NCCc3ccccc3)nc(N(C)Cc3ccccc3)c2cc1OC ZINC000045209893 IJ Annotated Anodyne N#Cc1cc([N+](=O)[O-])ccc1-n1nc(-c2cccc(Cl)c2)n(C[C@@H]2CCCO2)c1=S ZINC000045210066 IJ Annotated Mild N#Cc1cc([N+](=O)[O-])ccc1-n1nc(-c2cccc(Cl)c2)n(C[C@H]2CCCO2)c1=S ZINC000045210070 IJ Annotated Mild C=C(C)[C@H]1CC=C(CN2CC[C@@H](N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)CC1 ZINC000045210829 IJ Annotated Mild C=C(C)[C@H]1CC=C(CN2CC[C@H](N3CCc4cc(NC(=O)c5cc(C)on5)ccc43)C2)CC1 ZINC000045210833 IJ Annotated Mild Cc1nnc2c(NC(=O)NC3CCCC3)cc3ccc(-c4cccc(CN(C)C)c4)cc3n12 ZINC000045227412 IJ Annotated Anodyne CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)CCCN(C)C2 ZINC000045228080 IJ Annotated Anodyne COc1cccc([C@@H](O)CNc2ccnc(Nc3cccc(-c4csc(C)n4)c3)n2)c1 ZINC000045229097 IJ Annotated Anodyne COc1cccc([C@H](O)CNc2ccnc(Nc3cccc(-c4csc(C)n4)c3)n2)c1 ZINC000045229100 IJ Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc3c(c2)CNCC3(C)C)s1 ZINC000045229429 IJ Annotated Anodyne CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)CN(C)CCC2 ZINC000045229462 IJ Annotated Anodyne CN1CCC[C@@H]1CCNCc1ccc(-c2ccc(CNCCc3ccccc3)cn2)cc1 ZINC000045229965 IJ Annotated Anodyne CN1CCC[C@H]1CCNCc1ccc(-c2ccc(CNCCc3ccccc3)cn2)cc1 ZINC000045229968 IJ Annotated Anodyne CCCCN(C)CC#Cc1ccc(-c2ccc3[nH]c(C)c(Br)c(=O)c3c2)cn1 ZINC000045230354 IJ Annotated Mild COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc([C@H]2CCCN(C)C2)c1 ZINC000045231054 IJ Annotated Anodyne COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc([C@@H]2CCCN(C)C2)c1 ZINC000045231057 IJ Annotated Anodyne O=C(Nc1cccc(CN2CCCN(Cc3ncc[nH]3)CC2)c1)c1cc2ccccc2s1 ZINC000045231145 IJ Annotated Anodyne c1cc(-c2ccc(CNCCCN3CCOCC3)cc2)cc(-c2nc3ccccc3[nH]2)c1 ZINC000045231373 IJ Annotated Anodyne CC(C)CCn1c(Sc2ccc(C#N)c([N+](=O)[O-])c2)nnc1-c1ccc(N(C)C)cc1 ZINC000045231402 IJ Annotated Mild O=c1[nH]c2cccc(OCC3CCN(C[C@@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 ZINC000045244870 IJ Annotated Anodyne O=c1[nH]c2cccc(OCC3CCN(C[C@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 ZINC000045244871 IJ Annotated Anodyne CCOC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000045244998 IJ Annotated Anodyne O=c1[nH]c2cccc(OC3CCN(CC[C@@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 ZINC000045245059 IJ Annotated Anodyne O=c1[nH]c2cccc(OC3CCN(CC[C@H]4CCc5[nH]c6ccc(F)cc6c5C4)CC3)c2o1 ZINC000045245060 IJ Annotated Anodyne COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1C ZINC000045245215 IJ Annotated Bother CCOc1ccc(Nc2c(C)c(N[C@@H]3CNCc4ccccc43)c(C#N)c3ccnn23)cc1 ZINC000045245737 IJ Annotated Mild CCOc1ccc(Nc2c(C)c(N[C@H]3CNCc4ccccc43)c(C#N)c3ccnn23)cc1 ZINC000045245738 IJ Annotated Mild CCOCc1c(C)[nH]c(=O)c(I)c1Sc1cc(C)cc(C)c1 ZINC000045253939 IJ Annotated Anodyne CN(C)c1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc(O)cc3)n2)cc1 ZINC000045254493 IJ Annotated Reactive Cc1cccc(NC(=O)CN2C(=O)/C(=C/c3ccc(Cc4ccco4)o3)SC2=S)c1 ZINC000045255041 IJ Annotated Clean COc1ccc(/C=N/NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc(O)cc3)n2)cc1 ZINC000045255082 IJ Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cc3)s1)C2 ZINC000045255319 IJ Annotated Bother Oc1cc(-c2c(-c3ccncc3)nn3c(C4C[C@@H]5CC[C@H](C4)N5)ccnc23)ccc1Cl ZINC000045256618 IJ Annotated Anodyne O=CC1=C(Sc2ccc(F)cc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 ZINC000045258074 IJ Annotated Reactive O=C(c1cc(-c2cccc(Cl)c2Cl)cnc1N1CCCCCC1)N1CCOCC1 ZINC000045258809 IJ Annotated Anodyne CCOC(=O)NNc1nc(-c2ccccc2)nc2c1[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045260573 IJ Annotated Reactive CCOC(=O)NNc1nc(-c2ccccc2)nc2c1[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045260576 IJ Annotated Reactive CC(C)(C)OCc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1 ZINC000045260668 IJ Annotated Bother CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(O)cc1 ZINC000045283692 IJ Annotated Anodyne CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(O)cc1 ZINC000045283694 IJ Annotated Anodyne C=CCn1c(Cc2csc3nc(-c4ccc(Br)cc4)cn23)n[nH]c1=S ZINC000045283780 IJ Annotated Mild Cc1cccc(C)c1COc1cc(NC(=O)C2CCCCC2)ccc1N(C)S(C)(=O)=O ZINC000045285825 IJ Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)C3CCCCC3)ccc2N(C)S(C)(=O)=O)c1 ZINC000045286165 IJ Annotated Anodyne O=[N+]([O-])c1ccc(NC(=S)Nc2ncnc3c2sc(=S)n3-c2ccccc2)cc1 ZINC000045286692 IJ Annotated Bother CCCC[C@H](CNCc1ccccc1)N1CCN(CC(C)C)[C@H](Cc2ccc(O)cc2)C1 ZINC000045287027 IJ Annotated Anodyne COc1ccc(-c2nc(-c3cccnc3)oc2Sc2nnc(C)s2)c(OC)c1OC ZINC000045287459 IJ Annotated Anodyne N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H](C1CC1)c1c[nH]nc1-2 ZINC000045287693 IJ Annotated Mild N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@H](C1CC1)c1c[nH]nc1-2 ZINC000045287696 IJ Annotated Mild Cc1nc2c(s1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@H](C1CC1)c1c[nH]nc1-2 ZINC000045288101 IJ Annotated Anodyne Cc1nc2c(s1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H](C1CC1)c1c[nH]nc1-2 ZINC000045288103 IJ Annotated Anodyne C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000045289841 IJ Annotated Mild C[C@H]1/C(=N/N=C2\NC(=O)CS2)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000045289844 IJ Annotated Mild C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000045289847 IJ Annotated Mild NC(=S)Nc1cccc(OCCCCCN2CCN(c3ccc(Cl)cc3)C2=S)c1 ZINC000045290158 IJ Annotated Anodyne CCSCc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1 ZINC000045291092 IJ Annotated Anodyne COc1cc(OC)c(OC)cc1/C=C/C(=O)n1ccc(/C(C)=C/C(=O)OC(C)(C)C)c1 ZINC000045291371 IJ Annotated Anodyne N#Cc1c(-c2cccnc2)cc(-c2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)nc1O ZINC000045298450 IJ Annotated Mild O=[N+]([O-])c1ccccc1NC(=S)Nc1ncnc2c1sc(=S)n2-c1ccccc1 ZINC000045300776 IJ Annotated Bother COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc([C@H]2CCCN(C)C2)cc1 ZINC000045301263 IJ Annotated Anodyne COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc([C@@H]2CCCN(C)C2)cc1 ZINC000045301265 IJ Annotated Anodyne CCCCN(C)Cc1ccc2c(NC(=O)c3ccc(C)s3)c(C(=O)OC)sc2n1 ZINC000045301283 IJ Annotated Anodyne Cc1cc(OCCCn2ccnc2)ccc1-c1csc(/N=C(\N)NCc2ccccc2)n1 ZINC000045302187 IJ Annotated Mild Cc1cccc2[nH]c(-c3ccc(-c4cccc(C(=O)NCCc5cn(C)cn5)c4)s3)nc12 ZINC000045302212 IJ Annotated Anodyne COc1cc(/C=N/c2c(C#N)c3n(c2C(=O)Nc2ccc(Cl)cc2)CCC3)ccc1O ZINC000045302407 IJ Annotated Mild COCCn1c(-c2cccc(Cl)c2)nn(-c2ccc([N+](=O)[O-])cc2Cl)c1=S ZINC000045302589 IJ Annotated Bother O=C1[C@@H]2CN(C(=O)Nc3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000045303349 IJ Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](CN1CCCCC1)CC3=O ZINC000045315298 IJ Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](CN1CCCCC1)CC3=O ZINC000045315302 IJ Annotated Anodyne CCOc1ccc(/N=C2\N=C(O)S\C2=C2/C(=O)Nc3ccc(Br)cc32)cc1 ZINC000045315917 IJ Annotated Mild CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)c2ccc(C)cc2n1 ZINC000045316051 IJ Annotated Anodyne COc1ccc(SC2=C(C=O)CCc3c2sc2nc4n(c(=O)c32)CCCCC4)cc1 ZINC000045316108 IJ Annotated Reactive O=S(=O)(c1ccc(Cl)s1)N1c2cc(F)c(F)cc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045317184 IJ Annotated Anodyne O=S(=O)(c1ccc(Cl)s1)N1c2cc(F)c(F)cc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045317188 IJ Annotated Anodyne CN(C)c1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccc(C#N)cc2n1 ZINC000045318920 IJ Annotated Mild CN(C)c1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccc(C=O)cc2n1 ZINC000045320310 IJ Annotated Anodyne Oc1ccc(CCNCCCCCCNCCc2ccc(Cl)cc2)c(Cl)c1O ZINC000045322009 IJ Annotated Clean O=[N+]([O-])c1cccc(NC(=S)N2CCCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000045322097 IJ Annotated Bother CN1CCCc2ccc(NC(=O)c3ccc(-c4cc(C(F)(F)F)nn4C)s3)cc2C1 ZINC000045322438 IJ Annotated Anodyne CC(=O)Nc1ccc(OCCN(CC(F)(F)F)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000045322660 IJ Annotated Mild Cc1cnc(N)c(/C=C/c2cncc(C(=O)NCCc3ccc(Cl)cc3Cl)c2)c1 ZINC000045323041 IJ Annotated Anodyne Clc1ccc(Nc2nc(NCc3ccccc3)nc(N/N=C/c3ccccn3)n2)cc1 ZINC000045324435 IJ Annotated Mild OC[C@H](Nc1nc([C@H](Oc2ccccc2)c2ccccc2)nc2[nH]ncc12)c1ccccc1 ZINC000045324958 IJ Annotated Anodyne OC[C@H](Nc1nc([C@@H](Oc2ccccc2)c2ccccc2)nc2[nH]ncc12)c1ccccc1 ZINC000045324961 IJ Annotated Anodyne COC(=O)c1[nH]c2ccc(Br)cc2c1Sc1cc(O)c(OC)c(OC)c1 ZINC000045334400 IJ Annotated Anodyne O=C(Nc1ccc2c(c1)CCN2[C@H]1CCN(Cc2cccc3cc[nH]c23)C1)c1ccco1 ZINC000045334730 IJ Annotated Anodyne O=C(Nc1ccc2c(c1)CCN2[C@@H]1CCN(Cc2cccc3cc[nH]c23)C1)c1ccco1 ZINC000045334732 IJ Annotated Anodyne Nc1ncc(-c2cccc(OCc3ccccc3)c2)cc1-c1nnc2ccc(Cl)nn12 ZINC000045334763 IJ Annotated Anodyne Cn1cnc(CCNC(=O)c2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045335066 IJ Annotated Anodyne NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2c(F)cccc2F)c1N ZINC000045336306 IJ Annotated Anodyne CC(=O)OCc1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000045337860 IJ Annotated Anodyne N#Cc1c(Cl)c(Cl)c(C(C(=O)c2ccc(F)cc2)=C2NCCCN2)c(C#N)c1Cl ZINC000045339482 IJ Annotated Mild Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1cccnc1 ZINC000045339727 IJ Annotated Reactive Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccncc1 ZINC000045348439 IJ Annotated Reactive Cc1sc2ncn3c(=O)c4cc(Br)cc(Br)c4nc3c2c1C ZINC000045348555 IJ Annotated Bother CCCN1CCc2cc3oc(=O)n(C)c3cc2[C@@H]1c1cccc(OC(=O)c2ccccc2)c1 ZINC000045350602 IJ Annotated Anodyne CCCN1CCc2cc3oc(=O)n(C)c3cc2[C@H]1c1cccc(OC(=O)c2ccccc2)c1 ZINC000045350605 IJ Annotated Anodyne C=CCc1ccc(OC)c(O[C@@H](C)[C@H](OC(C)=O)c2ccc(OC)c(OC)c2)c1OC ZINC000045351073 IJ Annotated Mild C=CCc1ccc(OC)c(O[C@H](C)[C@H](OC(C)=O)c2ccc(OC)c(OC)c2)c1OC ZINC000045351077 IJ Annotated Mild in-vitro biogenic C=CCc1ccc(OC)c(O[C@@H](C)[C@@H](OC(C)=O)c2ccc(OC)c(OC)c2)c1OC ZINC000045351081 IJ Annotated Mild C=CCc1ccc(OC)c(O[C@H](C)[C@@H](OC(C)=O)c2ccc(OC)c(OC)c2)c1OC ZINC000045351085 IJ Annotated Mild Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C#N)cc(C(C)(C)O)c3o2)cc1 ZINC000045351552 IJ Annotated Mild Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccncc1 ZINC000045353619 IJ Annotated Reactive N#CCCN1CCN(Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)CC1 ZINC000045366041 IJ Annotated Mild COc1cc(/C=C/c2cc(O)c3c(c2)OCC3)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000045366588 IJ Annotated Anodyne CO[C@]1(C(C)C)C=C2C(=O)C[C@@]3(C)[C@](C)(COC(=O)CCC(=O)O)CCC[C@]3(C)[C@H]2CC1 ZINC000045367216 IJ Annotated Mild CCOc1cc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)ccc1OCCC(=O)O ZINC000045368105 IJ Annotated Clean N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(-c5c(F)cc(F)cc5F)ccc41)[C@@H]32 ZINC000045368505 IJ Annotated Mild O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cccc5ccccc45)c3)c2[nH]1 ZINC000045368874 IJ Annotated Anodyne CCCCOC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C ZINC000045372526 IJ Annotated Clean CCOP(=O)(OCC)C(F)(F)CCCCCCCc1c[nH]c2c(=O)[nH]c(N)nc12 ZINC000045372629 IJ Annotated Anodyne C#CCc1c(O)cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc1O ZINC000045372786 IJ Annotated Mild O=C(O)c1cn(Cc2ccc(-n3cnc(-c4ccccc4)c3)cc2)c2cccc(F)c2c1=O ZINC000045373669 IJ Annotated Anodyne Cc1n[nH]c(C)c1NC(=O)OC[C@H](Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 ZINC000045374817 IJ Annotated Anodyne Cc1n[nH]c(C)c1NC(=O)OC[C@@H](Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 ZINC000045374821 IJ Annotated Anodyne COc1cc(-c2noc(N(C(C)=O)C(C)=O)c2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000045374883 IJ Annotated Anodyne O=C(CO[C@@H](c1ccccc1)c1c(Cl)cncc1Cl)N1CC[C@H](c2ccccn2)C1 ZINC000045384456 IJ Annotated Anodyne O=C(CO[C@H](c1ccccc1)c1c(Cl)cncc1Cl)N1CC[C@H](c2ccccn2)C1 ZINC000045384461 IJ Annotated Anodyne O=C(CO[C@@H](c1ccccc1)c1c(Cl)cncc1Cl)N1CC[C@@H](c2ccccn2)C1 ZINC000045384467 IJ Annotated Anodyne O=C(CO[C@H](c1ccccc1)c1c(Cl)cncc1Cl)N1CC[C@@H](c2ccccn2)C1 ZINC000045384472 IJ Annotated Anodyne C(#Cc1ccc(C#CCC[n+]2ccc3c(c2)CCCC3)cc1)CC[n+]1ccc2c(c1)CCCC2 ZINC000045384617 IJ Annotated Mild COc1ccc(C2=C(c3cccs3)/C(=C/c3ccc(/C=C/C(=O)O)o3)NC2=O)cc1OC ZINC000045385416 IJ Annotated Anodyne COc1ccc(-c2csc3ncn4c(=O)c5cc(Br)ccc5nc4c23)cc1 ZINC000045386114 IJ Annotated Bother CCCN1CCC(n2cc(-c3nnc(-c4ccccc4)c(-c4ccccc4)n3)nn2)CC1 ZINC000045386961 IJ Annotated Anodyne Cn1ccc2ccc(-c3cccc(-n4cc(-c5ccc6c(c5)CCNC6=O)c(N)n4)c3)cc21 ZINC000045387548 IJ Annotated Anodyne Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1cccnc1 ZINC000045388117 IJ Annotated Reactive Clc1ccc2cc(NCCNc3nc(Cl)nc(Nc4ccccc4)n3)cnc2c1 ZINC000045391132 IJ Annotated Anodyne COC(=O)c1sc2nc(CN(C)CC(C)C)ccc2c1NC(=O)c1ccc(C)s1 ZINC000045392716 IJ Annotated Anodyne CN(CCCF)C(=O)c1cc2ccccc2c(-c2cccc(I)c2)n1 ZINC000045483890 IJ Annotated Anodyne CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)C[C@@H](C)[C@@H](O)C[C@H](O)/C=C/C=C/c1cccc(O)c1Cl ZINC000045495771 IJ Annotated Anodyne O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc2cc[nH]c12 ZINC000045498341 IJ Annotated Anodyne CN(C)c1ccc(/C=C/C(=O)c2c(O)cc(/C=C/c3ccc(N(C)C)cc3)oc2=O)cc1 ZINC000045506314 IJ Annotated Mild Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2cc(F)ccc12)c1cccc(Cl)c1 ZINC000045506319 IJ Annotated Anodyne O=S(=O)(c1ccccc1)c1cc2ccc3c(cnn3-c3ccc(Cl)cc3)c2nc1O ZINC000473081787 IJ Annotated Anodyne O=C1N(Cc2cccc(Cl)c2)c2cccn2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000473082035 IJ Annotated Anodyne O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3cccnc23)cc1O ZINC000473082177 IJ Annotated Anodyne O=C(O)[C@@H]1CC(=O)N(CC23CC4CC(CC(C4)C2)C3)/C(=N/c2ccc(Cl)cc2)S1 ZINC000473082226 IJ Annotated Mild O=C(O)[C@H]1CC(=O)N(CC23CC4CC(CC(C4)C2)C3)/C(=N/c2ccc(Cl)cc2)S1 ZINC000473082239 IJ Annotated Mild COc1ccc([C@H]2C(CN3CCN(c4ccc(OC)cc4)CC3)=NO[C@@H]3CCCC[C@H]23)cc1 ZINC000473082737 IJ Annotated Clean COc1cccc(Cl)c1C(=O)c1nc(-c2ccc(C(=O)O)cc2F)c2n1CCCC2 ZINC000473085565 IJ Annotated Anodyne CN=c1nc(Nc2cccc(C(N)=O)c2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 ZINC000473086877 IJ Annotated Anodyne C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 ZINC000473089050 IJ Annotated Mild CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(-c4ccccc4)ccc3O)CC2)C1=O ZINC000473090904 IJ Annotated Clean C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 ZINC000473091471 IJ Annotated Mild CC(C)(C)NC(=O)[C@H](c1cncnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000473091699 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cncnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000473091700 IJ Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1Sc1c(F)c(F)c(F)c(F)c1F ZINC000473094071 IJ Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1Sc1c(F)c(F)c(F)c(F)c1F ZINC000473094074 IJ Annotated Mild CN(C(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(OCB2C=Cc3ccccc3N2)cc1 ZINC000473098066 IJ Annotated Anodyne C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(OC(F)(F)F)cc3)nn21 ZINC000473098167 IJ Annotated Anodyne O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccncc23)cc1 ZINC000473101698 IJ Annotated Anodyne CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)/C(=N/Nc3ccccc3)C[C@H]1[C@@H]2C(=O)OC ZINC000473104196 IJ Annotated Mild CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)/C(=N/Nc3ccccc3)C[C@H]1[C@@H]2C(=O)OC ZINC000473104200 IJ Annotated Mild O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3cccnc23)cc1 ZINC000473104954 IJ Annotated Anodyne NS(=O)(=O)c1ccc(/N=c2\scc(-c3ccc(F)cc3F)n2C2CCCCC2)cc1 ZINC000473107211 IJ Annotated Anodyne CC(C)N1CCN(Cc2cc(CNC3(c4ccccc4F)CCCC3)ccc2O)CC1 ZINC000473109115 IJ Annotated Clean Cc1ccc(-c2cs/c(=N\c3ccc(S(N)(=O)=O)cc3)n2C2CCCCC2)cc1 ZINC000473109401 IJ Annotated Anodyne Cn1nc(C(F)(F)F)c(/C=C/C(=O)/C=C/c2c(C(F)(F)F)nn(C)c2Cl)c1Cl ZINC000473112288 IJ Annotated Mild CC(C)c1cc(C(C)C)c(S(=O)(=O)ON2C(=O)C[C@H]2CBr)c(C(C)C)c1 ZINC000473113676 IJ Annotated Reactive CC(C)c1cc(C(C)C)c(S(=O)(=O)ON2C(=O)C[C@@H]2CBr)c(C(C)C)c1 ZINC000473113677 IJ Annotated Reactive O=c1c2ccc(Cl)cc2ncn1CCCCCCCCCCn1cnc([N+](=O)[O-])c1 ZINC000473113822 IJ Annotated Bother CC1=C2[C@H]3OC(=O)[C@@H](CSc4ccc(Br)cc4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000473114287 IJ Annotated Mild COc1nc(OC)nc(-c2cc(C(=O)c3ccc(-c4ccccc4)cc3)n3ccccc23)n1 ZINC000473115268 IJ Annotated Anodyne C/C1=C\CC(=O)/C=C/C=C\c2csc(n2)[C@@H](C)NC(=O)C[C@@]2(CC1)SC(=O)[C@@H]2C ZINC000473115495 IJ Annotated Mild CO[C@H]1O[C@@]2(OC)C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@@]5(O[C@@H](C=C(C)C)C[C@@H]5C)[C@@H]4CC=C1[C@H]32 ZINC000473121464 IJ Annotated Anodyne Cc1c(Cc2ccccc2)c(=O)n2c3ccccc3n(CC[C@H]3CCCCN3C)c2c1C#N ZINC000473125782 IJ Annotated Mild Cc1c(Cc2ccccc2)c(=O)n2c3ccccc3n(CC[C@@H]3CCCCN3C)c2c1C#N ZINC000473125783 IJ Annotated Mild CC1=CCC[C@H](C)[C@@]1(C)CC[C@](C)(O)CCC/C(C)=C/Cn1c[n+](C)c2ncnc(N)c21 ZINC000473132007 IJ Annotated Anodyne CC1=CCC[C@H](C)[C@@]1(C)CC[C@@](C)(O)CCC/C(C)=C/Cn1c[n+](C)c2ncnc(N)c21 ZINC000473132012 IJ Annotated Anodyne CC1=CC(=O)C[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC/C(C)=C/Cn1c[n+](C)c2ncnc(N)c21 ZINC000473132414 IJ Annotated Mild CC1=CC(=O)C[C@H](C)[C@@]1(C)CC/C(C)=C/CC/C(C)=C/Cn1c[n+](C)c2ncnc(N)c21 ZINC000473132735 IJ Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@H](COCc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 ZINC000473133389 IJ Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](COCc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 ZINC000473133390 IJ Annotated Bother O=C(C[C@@]1(O)c2ccccc2-c2nc3ccccc3nc21)c1ccc(Br)cc1 ZINC000473135330 IJ Annotated Anodyne O=C(C[C@]1(O)c2ccccc2-c2nc3ccccc3nc21)c1ccc(Br)cc1 ZINC000473135331 IJ Annotated Anodyne CC(C)[C@H]1CC[C@@]2(CO2)[C@H]2C(=O)OCC(C(=O)OCc3ccc(-c4ccccc4)o3)=C[C@@H]21 ZINC000473135455 IJ Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](CSc4ccccc4Br)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000473136316 IJ Annotated Mild CCC(=O)N(c1ccc(F)c(F)c1)C1CCN(Cc2ccc3c(c2)CCC[C@H]3N)CC1 ZINC000473136369 IJ Annotated Anodyne Cc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(C(F)(F)F)CC4)cc3)c2c1 ZINC000473137274 IJ Annotated Clean Cc1cc(NS(=O)(=O)C2CC2)cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)c1 ZINC000473144389 IJ Annotated Anodyne Cc1cc(C(=O)N2CC[C@]3(C[C@@H]2C)C[C@@H](C)N(C(=O)OCC(C)(C)C)C3)cc2c[nH]nc12 ZINC000473147546 IJ Annotated Anodyne Cc1cc(C(=O)N2CC[C@]3(C[C@H](C)N(C(=O)OCC(C)(C)C)C3)C[C@@H]2C)cc2c[nH]nc12 ZINC000473147550 IJ Annotated Anodyne Cc1cc(C(=O)N2CC[C@]3(C[C@H](C)N(C(=O)OCC(C)(C)C)C3)C[C@H]2C)cc2c[nH]nc12 ZINC000473147552 IJ Annotated Anodyne Cc1cc(C(=O)N2CC[C@@]3(C[C@@H](C)N(C(=O)OCC(C)(C)C)C3)C[C@H]2C)cc2c[nH]nc12 ZINC000473147559 IJ Annotated Anodyne Cc1cc(C(=O)N2CC[C@]3(C[C@@H](C)N(C(=O)OCC(C)(C)C)C3)C[C@H]2C)cc2c[nH]nc12 ZINC000473147560 IJ Annotated Anodyne Cc1cc(C(=O)N2CC[C@@]3(C[C@H](C)N(C(=O)OCC(C)(C)C)C3)C[C@@H]2C)cc2c[nH]nc12 ZINC000473147572 IJ Annotated Anodyne Cc1cc(C(=O)N2CC[C@@]3(C[C@H](C)N(C(=O)OCC(C)(C)C)C3)C[C@H]2C)cc2c[nH]nc12 ZINC000473147577 IJ Annotated Anodyne Cc1cc(C(=O)N2CC[C@@]3(C[C@@H]2C)C[C@@H](C)N(C(=O)OCC(C)(C)C)C3)cc2c[nH]nc12 ZINC000473147580 IJ Annotated Anodyne Nc1ccc(NC(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)cc1 ZINC000473149208 IJ Annotated Clean Nc1cccc(NC(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)c1 ZINC000473151876 IJ Annotated Anodyne CN[C@@H]1CC[C@@H](N=c2c(C(C)=O)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473152129 IJ Annotated Anodyne CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)OC(C)(C)C)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473152207 IJ Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(N2CCC[C@H]2C(=O)O)=CC1=O ZINC000473152420 IJ Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(N[C@@H](C(=O)O)C(C)C)C1=O ZINC000473152699 IJ Annotated Mild O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000473154052 IJ Annotated Anodyne CCCCC[C@H](O)C1=CC(=C(Br)Br)N(Cc2ccccc2)C1=O ZINC000473154504 IJ Annotated Anodyne CCCCC[C@@H](O)C1=CC(=C(Br)Br)N(Cc2ccccc2)C1=O ZINC000473154505 IJ Annotated Anodyne CCCCC[C@@H]1NC(=O)/C(=C/c2cc(Br)c(OC)c(Br)c2)O1 ZINC000473154514 IJ Annotated Anodyne CCCCC[C@H]1NC(=O)/C(=C/c2cc(Br)c(OC)c(Br)c2)O1 ZINC000473154515 IJ Annotated Anodyne Fc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)cc(F)c1Oc1ccccc1 ZINC000473154883 IJ Annotated Anodyne CCCCC[C@H](O)C1=CC(=C(Br)Br)N(c2ccccc2)C1=O ZINC000473158410 IJ Annotated Anodyne CCCCC[C@@H](O)C1=CC(=C(Br)Br)N(c2ccccc2)C1=O ZINC000473158414 IJ Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CC[C@@H](NC[C@H]4C[C@H]4C(=O)O)CC3)cc12 ZINC000473162461 IJ Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CC[C@@H](NC[C@H]4C[C@@H]4C(=O)O)CC3)cc12 ZINC000473162462 IJ Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CC[C@@H](NC[C@@H]4C[C@@H]4C(=O)O)CC3)cc12 ZINC000473162463 IJ Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CC[C@@H](NC[C@@H]4C[C@H]4C(=O)O)CC3)cc12 ZINC000473162464 IJ Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CC[C@@H](NCCCC(=O)O)CC3)cc12 ZINC000473162840 IJ Annotated Anodyne COC(=O)CCCN[C@@H]1CC[C@@H](c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)CC1 ZINC000473163024 IJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](O)CC1 ZINC000473165005 IJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473165179 IJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(C)c(O)c(C)c3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473165312 IJ Annotated Anodyne CCOc1ncc(-c2ccccc2)cc1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 ZINC000473171448 IJ Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1 ZINC000473179570 IJ Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](COc1nc(C)cc(C)n1)C2 ZINC000473180514 IJ Annotated Anodyne O=C(NCC1(c2ccc(C(F)(F)F)nc2)CCOCC1)c1cccc(Cl)c1Cl ZINC000473183005 IJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473194493 IJ Annotated Anodyne CC(C)C(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(F)c3)cc2c1=N[C@@H]1CC[C@@H](N)CC1 ZINC000473194967 IJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3ccc4n[nH]cc4c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473197580 IJ Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3ccc4nc[nH]c4c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473197834 IJ Annotated Anodyne CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@H](Cc1ccccc1Cl)[C@@H](N)CC2 ZINC000473200848 IJ Annotated Anodyne CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@@H](Cc1ccccc1Cl)[C@@H](N)CC2 ZINC000473200854 IJ Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](N)CC4)c3c2)cc(Cl)c1O ZINC000473200868 IJ Annotated Anodyne CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@@H](N)CC2 ZINC000473201211 IJ Annotated Anodyne CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@@H](N)CC2 ZINC000473201212 IJ Annotated Anodyne CN(C)[C@@H]1CC[C@@H](N=c2c(C#N)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473210104 IJ Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000473233313 IJ Annotated Anodyne Fc1ccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)cc1 ZINC000473234816 IJ Annotated Anodyne Cc1ccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)cc1 ZINC000473234850 IJ Annotated Anodyne COc1ccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)cc1 ZINC000473234859 IJ Annotated Anodyne Fc1ccccc1CC1=C2c3cc4c(cc3CCN2Cc2c1ccc1c2OCO1)OCO4 ZINC000473234927 IJ Annotated Anodyne Cc1cc(-c2n[nH]c3cc(N[C@@H]4N[C@H](c5ccc(Cl)cc5)C[C@H](C)O4)ncc23)ccn1 ZINC000473236370 IJ Annotated Anodyne Cc1cc(-c2n[nH]c3cc(N[C@@H]4N[C@@H](c5ccc(Cl)cc5)C[C@@H](C)O4)ncc23)ccn1 ZINC000473236374 IJ Annotated Anodyne Cc1cc(-c2n[nH]c3cc(N[C@@H]4N[C@@H](c5ccc(Cl)cc5)C[C@H](C)O4)ncc23)ccn1 ZINC000473236375 IJ Annotated Anodyne Cc1cc(-c2n[nH]c3cc(N[C@@H]4N[C@H](c5ccc(Cl)cc5)C[C@@H](C)O4)ncc23)ccn1 ZINC000473236376 IJ Annotated Anodyne [C-]#[N+]c1cc(S(C)(=O)=O)ccc1Oc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000473236392 IJ Annotated Anodyne Fc1ccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)c(F)c1 ZINC000473243858 IJ Annotated Anodyne CC(C)N(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 ZINC000473243861 IJ Annotated Anodyne CCCN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 ZINC000473243971 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C ZINC000473244356 IJ Annotated Anodyne CC(C)OC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 ZINC000473244574 IJ Annotated Anodyne Fc1cccc(CC2=C3c4cc5c(cc4CCN3Cc3c2ccc2c3OCO2)OCO5)c1 ZINC000473244949 IJ Annotated Anodyne COc1cc(NC(=O)c2csc(-c3c[nH]c4ccc(F)cc34)n2)cc(OC)c1OC ZINC000473247916 IJ Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1[C@@H](O)CCC(=O)[C@H]13 ZINC000473248359 IJ Annotated Anodyne Cc1ccc(-c2nc3sc(C)nn3c2COCc2cn(Cc3ccc(F)cc3)nn2)cc1 ZINC000473248602 IJ Annotated Anodyne Cc1ccc(-c2nc3sc(C)nn3c2COCc2cn(Cc3ccccc3F)nn2)cc1 ZINC000473249678 IJ Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1[C@@H](O)CC[C@H](O)[C@H]13 ZINC000473249924 IJ Annotated Anodyne C=C(Br)C(=O)Nc1cccc(-c2cn3nc(Cc4ccccc4)sc3n2)c1 ZINC000474602093 IJ Annotated Anodyne Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1cnc(Br)cn1 ZINC000474609344 IJ Annotated Anodyne C/C(=C\Cc1c(CCC(=O)c2ccc(O)cc2O)ccc(O)c1O)CCCC(C)(C)O ZINC000474609361 IJ Annotated Clean C=C(Br)C(=O)Nc1cccc(-c2cn3nc(-c4ccccc4)sc3n2)c1 ZINC000474609903 IJ Annotated Anodyne CC(C)(O)CCC[C@]1(C)CCc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1 ZINC000474609946 IJ Annotated Anodyne CC(C)(O)CCC[C@@]1(C)CCc2c(CCC(=O)c3ccc(O)cc3O)ccc(O)c2O1 ZINC000474609947 IJ Annotated Anodyne CC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nc(OCC(=O)NN)c2C#N)cc1 ZINC000048999699 IJ Annotated Reactive Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(C#N)c1 ZINC000049013944 IJ Annotated Mild C=C(C)[C@H]1CC=C(C)[C@]2(O)[C@@H](C(=O)OCC3CC3)O[C@@H](c3ccccc3Br)[C@H]12 ZINC000049021784 IJ Annotated Mild CCn1nc(C)c2c1CCN([C@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C)cc1 ZINC000049032994 IJ Annotated Anodyne CCn1nc(C)c2c1CCN([C@H](C(=O)NC)c1ccccc1)[C@@H]2CCc1ccc(C)cc1 ZINC000049032996 IJ Annotated Anodyne Nc1cc2cc(-c3cnc(NC[C@@H](N)Cc4ccc(C(F)(F)F)cc4)s3)ccc2cn1 ZINC000049033246 IJ Annotated Anodyne CCCCN(CCCC)C[C@]1(COCC)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049036040 IJ Annotated Anodyne CCCCN(CCCC)C[C@@]1(COCC)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049036042 IJ Annotated Anodyne CSc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc(C#N)cc4n3O)cc2)cn1 ZINC000049047358 IJ Annotated Mild CC(=O)NCCNc1cc2c(cc1CC(C)C)CN(CCC(C)C)C(=O)[C@H](CC(C)C)N2 ZINC000049050755 IJ Annotated Anodyne O=C1CC(CBr)=NN1c1c2ccccc2nc2ccc(Br)cc12 ZINC000049054867 IJ Annotated Reactive CC#CCOC(=O)NCc1cc(-c2sc(-c3cccnc3)nc2C2CCCCC2)n[nH]1 ZINC000049066477 IJ Annotated Mild CCO[P@]1(=O)OC(c2ccccc2)=C(I)c2ccc(OC)cc21 ZINC000049068148 IJ Annotated Anodyne CCO[P@@]1(=O)OC(c2ccccc2)=C(I)c2ccc(OC)cc21 ZINC000049068150 IJ Annotated Anodyne O=c1ncccn1SCCc1ccc(Nc2ncc(Cc3c(F)cccc3F)o2)cc1 ZINC000049069316 IJ Annotated Anodyne N#Cc1cc([C@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)ccc1F ZINC000049071889 IJ Annotated Mild N#Cc1cc([C@@](O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)ccc1F ZINC000049071891 IJ Annotated Mild Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCC(n3ccnc3)CC2)nc2ncn(C)c12 ZINC000049072423 IJ Annotated Anodyne NC(CO)(CO)CCc1ccc(-c2ccc(SCc3ccccc3)cc2)cc1Cl ZINC000049087576 IJ Annotated Anodyne Cc1ccccc1CSc1nc(O)c(I)c(Cc2ccccc2)n1 ZINC000049088991 IJ Annotated Anodyne Cc1cccc(CSc2nc(O)c(I)c(Cc3ccccc3)n2)c1 ZINC000049089139 IJ Annotated Anodyne Oc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(O)cc45)ccc3c2c1 ZINC000049089606 IJ Annotated Anodyne Cc1n[nH]c2ccc(-c3nnc(NC[C@@H](N)Cc4ccc(Cl)cc4Cl)s3)cc12 ZINC000049110190 IJ Annotated Anodyne CC(C)Oc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000049110947 IJ Annotated Anodyne CC(C)Oc1ccccc1OCCNC[C@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000049110949 IJ Annotated Anodyne CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccc3OCc3n[nH]c(=O)[nH]3)cc2)n1 ZINC000049111778 IJ Annotated Anodyne CCCCCc1nc2c(-c3ccc(Cl)cc3)n[nH]c2c(=O)n1NC(=O)c1cccc(C)c1 ZINC000049112020 IJ Annotated Anodyne O=c1c(Br)c(NCCc2ccccc2)cnn1-c1c(Cl)cccc1Cl ZINC000049112761 IJ Annotated Anodyne CC(C)[C@H](NC(=O)c1cc2c3ccccc3n(CCCc3ccccc3)c2cn1)C(=O)O ZINC000049112984 IJ Annotated Anodyne CC(C)=CCC/C(C)=C/COc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)c2ccncc2)cc1 ZINC000049113104 IJ Annotated Reactive CC(C)=CCC/C(C)=C/COc1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)c2ccncc2)cc1 ZINC000049113105 IJ Annotated Reactive CC(C)=CCC/C(C)=C/COc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ccncc2)cc1 ZINC000049113106 IJ Annotated Reactive CC(C)=CCC/C(C)=C/COc1ccc([C@H]2C[C@H]2C(=O)NNC(=O)c2ccncc2)cc1 ZINC000049113107 IJ Annotated Reactive Cc1ccccc1[C@@H]1CCc2c(C(=O)NC[C@@H]3CCCCO3)cc3c(nc(C)n3C)c2O1 ZINC000049113163 IJ Annotated Anodyne Cc1ccccc1[C@@H]1CCc2c(C(=O)NC[C@H]3CCCCO3)cc3c(nc(C)n3C)c2O1 ZINC000049113164 IJ Annotated Anodyne O=C1NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 ZINC000049125046 IJ Annotated Anodyne O=C1NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 ZINC000049125051 IJ Annotated Anodyne O=C1NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 ZINC000049125055 IJ Annotated Anodyne O=C1NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 ZINC000049125057 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)C[C@@]2(C)CC3(CCCCC3)OO2)c1 ZINC000049680258 IJ Annotated Reactive CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)C[C@]2(C)CC3(CCCCC3)OO2)c1 ZINC000049680261 IJ Annotated Reactive CC1(C)O[C@@](C)([C@@H]2CC[C@@](C)(Cl)[C@H](Br)C2)[C@@H](O)C[C@@H]1Br ZINC000049777794 IJ Annotated Reactive CC1(C)O[C@@](C)([C@@H]2CC[C@](C)(Br)[C@@H](Cl)C2)[C@@H](O)C[C@@H]1Br ZINC000049778054 IJ Annotated Reactive COc1ccccc1-n1c(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)n[nH]c1=S ZINC000049784324 IJ Annotated Bother O=c1c(Br)c(OCCc2ccccc2)cnn1-c1c(Cl)cccc1Cl ZINC000049784411 IJ Annotated Anodyne O=c1c(Br)c(NCc2ccccc2)cnn1-c1c(Cl)cccc1Cl ZINC000049784508 IJ Annotated Anodyne CCOC(=O)c1cc(-c2sc(NC(=O)C(C)(C)C)nc2C)nn1Cc1ccccc1 ZINC000049785367 IJ Annotated Anodyne C[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O ZINC000049785375 IJ Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2CC(=NOCc2ccccc2)C3)cc1 ZINC000049785520 IJ Annotated Mild Cc1cc(=O)oc2c(CSC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c(OC(C)C)ccc12 ZINC000049802779 IJ Annotated Anodyne Cc1cc(=O)oc2c([C@H](C)OC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c(OC(C)C)ccc12 ZINC000049808066 IJ Annotated Anodyne CCCCCCCCCCOC(=O)C[C@H]1C[C@H](O)C[C@@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000049881893 IJ Annotated Mild C=C(/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000049888705 IJ Annotated Mild Cc1c(OCc2ccccc2-c2ccccc2)ccc2c(N3CCNCC3)cc(=O)oc12 ZINC000049942644 IJ Annotated Anodyne CCCOc1ccc(/C=N/NC2=N[C@H](c3ccccc3O)CC(c3ccccc3)=N2)c(O)c1 ZINC000049946825 IJ Annotated Mild CCCOc1ccc(/C=N/NC2=N[C@@H](c3ccccc3O)CC(c3ccccc3)=N2)c(O)c1 ZINC000049946826 IJ Annotated Mild COc1cc(NS(C)(=O)=O)ccc1Nc1c2c(nc3ccccc13)-c1ccccc1C2 ZINC000000575704 IJ Annotated Anodyne COc1cc(C2=NCCc3ccc(Cl)cc32)ccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000000594857 IJ Annotated Anodyne O=C(c1ccoc1)N(c1cccc2nsnc12)C1CCN(CCc2ccccc2)CC1 ZINC000000596861 IJ Annotated Anodyne CCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCc2cccs2)CC1 ZINC000000597041 IJ Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1[nH]c1ccccc12 ZINC000000597193 IJ Annotated Bother O=C(O)CC1=C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)CCCCC1 ZINC000000600527 IJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000756213 IJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000756214 IJ Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758426 IJ Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758427 IJ Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000000758432 IJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000000766974 IJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000000766975 IJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000766978 IJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000766979 IJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000766995 IJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000766996 IJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000000767033 IJ Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000000767035 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000767113 IJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000000767609 IJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000000767610 IJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000000767617 IJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000000767618 IJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000000767673 IJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000000767674 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000767976 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000000767978 IJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000000768632 IJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000000768634 IJ Annotated Anodyne O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)N1CCOCC1 ZINC000000768676 IJ Annotated Anodyne O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)N1CCOCC1 ZINC000000768677 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000768862 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000768863 IJ Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000000768926 IJ Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000000768928 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)cc1 ZINC000000768994 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)cc1 ZINC000000768996 IJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000769069 IJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000769070 IJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000000769212 IJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000000769214 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000000769220 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000000769222 IJ Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1)c1ccc(F)cc1 ZINC000000769646 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770497 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770499 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770543 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000770545 IJ Annotated Anodyne CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000771139 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccoc2)cc1 ZINC000000771432 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccoc2)cc1 ZINC000000771434 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000000771517 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000000771519 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000000771525 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000000771527 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000000771706 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000000771708 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000000771714 IJ Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000000771716 IJ Annotated Anodyne COc1cc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)cc(OC)c1O ZINC000000771856 IJ Annotated Anodyne COc1cc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3ccccc3S2)cc(OC)c1O ZINC000000771857 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000000771988 IJ Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000000772017 IJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000000772109 IJ Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000000772111 IJ Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000772335 IJ Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000772336 IJ Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000000772399 IJ Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000000772401 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)cc1 ZINC000000772467 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)cc1 ZINC000000772469 IJ Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000772541 IJ Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000772542 IJ Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000772587 IJ Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000772588 IJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000000772683 IJ Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000000772685 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000000772691 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000000772693 IJ Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1 ZINC000000772845 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000000772933 IJ Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772935 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](CO)[C@H](C)CC)cc1 ZINC000000773506 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](CO)[C@@H](C)CC)cc1 ZINC000000773507 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H](CO)[C@H](C)CC)cc1 ZINC000000773508 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H](CO)[C@@H](C)CC)cc1 ZINC000000773509 IJ Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](CO)[C@H](C)CC)c1 ZINC000000773603 IJ Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](CO)[C@@H](C)CC)c1 ZINC000000773604 IJ Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H](CO)[C@H](C)CC)c1 ZINC000000773605 IJ Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H](CO)[C@@H](C)CC)c1 ZINC000000773606 IJ Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccoc2)c1OC ZINC000000773688 IJ Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccoc2)c1 ZINC000000773689 IJ Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccoc2)cc(OC)c1 ZINC000000773690 IJ Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](C)C(C)C)c(OC)c1OC ZINC000000773723 IJ Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H](C)C(C)C)c(OC)c1OC ZINC000000773724 IJ Annotated Anodyne CC(C)[C@@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773740 IJ Annotated Bother CC(C)[C@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773741 IJ Annotated Bother COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC(C)C)c(OC)c1OC ZINC000000773821 IJ Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCC(C)C)c(OC)c1OC ZINC000000773822 IJ Annotated Anodyne CC(C)CCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773833 IJ Annotated Bother COc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccoc2)cc1OC ZINC000000773865 IJ Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)N[C@H](CO)[C@H](C)CC ZINC000000774025 IJ Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000000774026 IJ Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000000774027 IJ Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000000774028 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)N[C@H](CO)[C@H](C)CC)cc1 ZINC000000774065 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)N[C@H](CO)[C@@H](C)CC)cc1 ZINC000000774066 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)N[C@@H](CO)[C@H](C)CC)cc1 ZINC000000774067 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)N[C@@H](CO)[C@@H](C)CC)cc1 ZINC000000774068 IJ Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCc2cccc(OC)c2OC)cc1 ZINC000000774159 IJ Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)N[C@H](CO)[C@H](C)CC)c1 ZINC000000774163 IJ Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)N[C@H](CO)[C@@H](C)CC)c1 ZINC000000774164 IJ Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)N[C@@H](CO)[C@H](C)CC)c1 ZINC000000774165 IJ Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)N[C@@H](CO)[C@@H](C)CC)c1 ZINC000000774166 IJ Annotated Anodyne COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)NCC(C)(C)CO)cc1 ZINC000000774234 IJ Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2ccoc2)cc1 ZINC000000774265 IJ Annotated Anodyne COc1ccc(-c2noc(-c3ccc(Cl)cc3F)c2C(=O)NCC(C)(C)CO)cc1 ZINC000000774281 IJ Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NC(C)C)cc1 ZINC000000774348 IJ Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000774478 IJ Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccccc1 ZINC000000774609 IJ Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccccc1 ZINC000000774610 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCC(C)(C)CO)cc1 ZINC000000774753 IJ Annotated Anodyne COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NC(C)C)c([N+](=O)[O-])cc1OC ZINC000000774820 IJ Annotated Bother COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC2CCCC2)c(OC)c1OC ZINC000000774942 IJ Annotated Anodyne O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000000775040 IJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000000775041 IJ Annotated Anodyne O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000000775042 IJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000000775043 IJ Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H](CO)[C@H](C)CC ZINC000000775054 IJ Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000000775055 IJ Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000000775056 IJ Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000000775057 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H](CO)[C@H](C)CC)cc1 ZINC000000775092 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H](CO)[C@@H](C)CC)cc1 ZINC000000775093 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H](CO)[C@H](C)CC)cc1 ZINC000000775094 IJ Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H](CO)[C@@H](C)CC)cc1 ZINC000000775095 IJ Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccoc2)c1OC ZINC000000775274 IJ Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccoc2)cc(OC)c1 ZINC000000775276 IJ Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H](C)C(C)C)c(OC)c1OC ZINC000000775309 IJ Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H](C)C(C)C)c(OC)c1OC ZINC000000775310 IJ Annotated Anodyne CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775326 IJ Annotated Bother CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775327 IJ Annotated Bother COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCC(C)C)c(OC)c1OC ZINC000000775407 IJ Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCC(C)C)c(OC)c1OC ZINC000000775408 IJ Annotated Anodyne CC(C)CCNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775420 IJ Annotated Bother COc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccoc2)cc1OC ZINC000000775453 IJ Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)N[C@H]1CCCC[C@H]1O ZINC000000775493 IJ Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000000775494 IJ Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000000775495 IJ Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000775496 IJ Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCC2CCCCC2)c(OC)c1OC ZINC000000775500 IJ Annotated Anodyne CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCC1CCCCC1 ZINC000000775522 IJ Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000000775529 IJ Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000000775530 IJ Annotated Bother CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCc1cccc(OC)c1OC ZINC000000775635 IJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F ZINC000000775643 IJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F ZINC000000775644 IJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F ZINC000000775645 IJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(Br)ccc1F ZINC000000775646 IJ Annotated Anodyne CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCc2cccc(OC)c2OC)cc1 ZINC000000775678 IJ Annotated Anodyne CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCc2cccc(OC)c2OC)c1 ZINC000000775780 IJ Annotated Anodyne CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000775808 IJ Annotated Anodyne CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000775809 IJ Annotated Anodyne COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCc1cccc(OC)c1OC ZINC000000775906 IJ Annotated Anodyne COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccccc2OC)cc(OC)c1 ZINC000000775908 IJ Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NC(C)C)cc1OC ZINC000000775984 IJ Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCC(C)C)cc1OC ZINC000000776291 IJ Annotated Anodyne COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000776643 IJ Annotated Anodyne COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000776644 IJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776709 IJ Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000776710 IJ Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1c(F)cccc1Cl ZINC000000776889 IJ Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1c(F)cccc1Cl ZINC000000776890 IJ Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1c(F)cccc1Cl ZINC000000776891 IJ Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1c(F)cccc1Cl ZINC000000776892 IJ Annotated Anodyne O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl ZINC000000776977 IJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl ZINC000000776978 IJ Annotated Anodyne O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl ZINC000000776979 IJ Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl ZINC000000776980 IJ Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000777172 IJ Annotated Anodyne CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000777215 IJ Annotated Anodyne CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000777216 IJ Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000789082 IJ Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000789084 IJ Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000789086 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000000790780 IJ Annotated Anodyne CCN(CC)CCn1nc2c3cc(OC)ccc3sc3c(CNC(=O)OC)ccc1c32 ZINC000000838524 IJ Annotated Bother Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 ZINC000000838555 IJ Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1ccc2c(c1)OCO2 ZINC000000876707 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C[C@@H](C[C@H]3CCCCN13)OC(=O)/C=C\c1ccc(O)c-2c1 ZINC000005371556 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C[C@H](C[C@H]3CCCCN13)OC(=O)/C=C\c1ccc(O)c-2c1 ZINC000005371559 IJ Annotated Anodyne in-vitro biogenic O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3ccco3)n2)CC1 ZINC000052584411 IJ Annotated Anodyne CN(C)/C=N\c1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(C#N)cc2)n1 ZINC000053150038 IJ Annotated Mild CC1=CC[C@@H]([C@@](C)(O)CCCC(C)(C)NC(=S)N/N=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000053226450 IJ Annotated Mild CC1=CC[C@@H]([C@@](C)(O)CCCC(C)(C)NC(=S)N/N=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000053226467 IJ Annotated Mild N#CC1=C(/N=C/c2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000053229535 IJ Annotated Reactive N#CC1=C(/N=C/c2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000053229537 IJ Annotated Reactive N#CC1=C(/N=C/c2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000053229539 IJ Annotated Reactive N#CC1=C(/N=C/c2ccccc2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000053229541 IJ Annotated Reactive Cc1[nH]c2ccccc2c1C1=C(C#N)[C@@]2(C(=O)c3cccc4cccc2c34)C(C#N)=C(N)O1 ZINC000053229865 IJ Annotated Reactive CCCc1nc(-c2ccccc2)c(CNCCN2CCN(c3ccc(C)c(C)c3)CC2)o1 ZINC000053243854 IJ Annotated Anodyne CC1=CC[C@@H]([C@@](C)(O)CCCC(C)(C)NC(=S)N/N=C\c2ccc(N(C)C)cc2)CC1 ZINC000053293759 IJ Annotated Mild CC(C)c1cccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)cc4)cc3C2=O)c1 ZINC000053294278 IJ Annotated Clean CC1=CC[C@@H]([C@@](C)(O)CCCC(C)(C)NC(=S)N/N=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000053295951 IJ Annotated Mild COc1ccc(N(CC(F)(F)F)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 ZINC000053298495 IJ Annotated Anodyne Cc1ccc(N(C(=O)CCl)S(=O)(=O)c2c(Cl)sc(Cl)c2Cl)cc1 ZINC000053299096 IJ Annotated Reactive COc1ccc(/C=N\NC(=S)NC(C)(C)CCC[C@](C)(O)[C@@H]2CC=C(C)CC2)cc1 ZINC000053312545 IJ Annotated Mild CC(C)(C)c1ccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)cc4)cc3C2=O)cc1 ZINC000053314944 IJ Annotated Clean Cc1cc(S(=O)(=O)NC2=Nc3ccccc3[C@@H](c3ccccc3)N2)c(S)cc1Cl ZINC000005579337 IJ Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1 ZINC000005579430 IJ Annotated Mild Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@H](c3cccs3)C2)cc1 ZINC000005579436 IJ Annotated Bother N#CCCN(CCC#N)c1ccc(/C=C2\N=C(c3ccccc3)N(c3ccccn3)C2=O)cc1 ZINC000005582267 IJ Annotated Mild CN(C)c1ccc(/C=c2/c3ccccc3n3c2cc(C24CC5CC(CC(C5)C2)C4)[n+]3C)cc1 ZINC000005582524 IJ Annotated Clean Cc1ccc(C(=O)N/N=C(\N=N\c2ccccc2[N+](=O)[O-])c2ccc(N(C)C)cc2)cc1 ZINC000005582838 IJ Annotated Reactive Cc1ccc(C(=O)N/N=C(\N=N\c2cccc([N+](=O)[O-])c2)c2ccc(N(C)C)cc2)cc1 ZINC000005582840 IJ Annotated Reactive CCOC(=O)/C=C1\Nc2ccccc2[C@]12CCc1c([nH]c3ccccc13)[C@@H]2C(=O)OCC ZINC000005597120 IJ Annotated Anodyne CCOC(=O)/C=C1\Nc2ccccc2[C@@]12CCc1c([nH]c3ccccc13)[C@@H]2C(=O)OCC ZINC000005597121 IJ Annotated Anodyne CCOC(=O)/C=C1\Nc2ccccc2[C@]12CCc1c([nH]c3ccccc13)[C@H]2C(=O)OCC ZINC000005597122 IJ Annotated Anodyne CCOC(=O)/C=C1\Nc2ccccc2[C@@]12CCc1c([nH]c3ccccc13)[C@H]2C(=O)OCC ZINC000005597123 IJ Annotated Anodyne CCC[C@@H](Cc1ccc(OCC[N+](C)(C)C)cc1)c1ccc(OCC[N+](C)(C)C)cc1 ZINC000005648851 IJ Annotated Bother in-man CCC[C@H](Cc1ccc(OCC[N+](C)(C)C)cc1)c1ccc(OCC[N+](C)(C)C)cc1 ZINC000005649353 IJ Annotated Bother in-man Cc1c(-c2ccccc2)n[nH]c1N[C@@]1(C)C(=O)N(/N=C/c2ccccc2)N=C1c1ccccc1 ZINC000005800852 IJ Annotated Mild Cc1c(-c2ccccc2)n[nH]c1N[C@]1(C)C(=O)N(/N=C/c2ccccc2)N=C1c1ccccc1 ZINC000005800853 IJ Annotated Mild CC(C)(C)c1cc(C(=O)O)c2c(c1)C(=O)O[C@@]2(c1ccccc1)c1ccccc1C(=O)O ZINC000005808171 IJ Annotated Anodyne COC[C@H]1N=C(c2ccc(OC)c(OCc3ccccc3)c2OC)O[C@H]1c1ccccc1 ZINC000005809746 IJ Annotated Anodyne Cc1nn(C(=O)CC(=O)Nc2ccc(Cl)cc2)c(C)c1/N=N/c1ccccc1C(=O)O ZINC000005809868 IJ Annotated Clean O=C1C[C@@]2(CC[C@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)C2)C(=O)c2ccccc2N1 ZINC000005822779 IJ Annotated Anodyne O=C1C[C@]2(CC[C@](O)(c3ccccc3)[C@H](C(=O)c3ccccc3)C2)C(=O)c2ccccc2N1 ZINC000005822780 IJ Annotated Anodyne Cc1ccc(O[C@H]2O[C@@H](n3cnc4ncnc(Cl)c43)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000005833782 IJ Annotated Anodyne Cc1ccc(O[C@H]2C[C@H](n3cnc4ncnc(Cl)c43)O[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005833787 IJ Annotated Anodyne Cc1ccc(O[C@H]2O[C@H](n3cnc4ncnc(Cl)c43)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000005833795 IJ Annotated Anodyne COc1cc(CCC[C@H](O)COc2cccc3c2[C@@]2(O)CCCCC[C@H]32)cc(OC)c1 ZINC000005847415 IJ Annotated Anodyne COc1cc(CCC[C@H](O)COc2cccc3c2[C@]2(O)CCCCC[C@H]32)cc(OC)c1 ZINC000005847437 IJ Annotated Anodyne COc1cc(CCC[C@@H](O)COc2cccc3c2[C@]2(O)CCCCC[C@H]32)cc(OC)c1 ZINC000005847444 IJ Annotated Anodyne Cc1cc2c(c(/C=N/c3ccc([N+](=O)[O-])cc3)c1)O[C@]1(C=C2)Oc2ccccc2C(=O)N1C ZINC000005848348 IJ Annotated Mild C[C@]12CC[C@@H]3[C@@H](CC[C@]45O[C@H]4C(=O)CC[C@]35C)[C@H]1Cc1cnn(-c3ccc(F)cc3)c1N2 ZINC000005850670 IJ Annotated Anodyne Cc1nn(C(=O)Cc2ccccc2)c2c1[C@H](c1ccc3ccccc3c1O)SC(N)=N2 ZINC000005851584 IJ Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1SC[C@@H](O)c1ccccc1C(=O)NC(C)(C)C ZINC000005885626 IJ Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1SC[C@H](O)c1ccccc1C(=O)NC(C)(C)C ZINC000005885631 IJ Annotated Anodyne CC(=O)Nc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3[S@]2=O)cc1 ZINC000005890688 IJ Annotated Bother CC(=O)Nc1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3[S@]2=O)cc1 ZINC000005890690 IJ Annotated Bother CC(=O)Nc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3[S@@]2=O)cc1 ZINC000005890696 IJ Annotated Bother CC(=O)Nc1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3[S@@]2=O)cc1 ZINC000005890698 IJ Annotated Bother NCCCN(CCCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000005922487 IJ Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)[C@@H](I)C[C@@H]12 ZINC000005923678 IJ Annotated Reactive CC(=O)O[C@@H]1C=C(C)[C@H](CBr)O[C@@]2(C)CC[C@H](Br)C(C)(C)[C@H]12 ZINC000005939642 IJ Annotated Reactive CC(C)(C)n1nnnc1[C@@H](c1cccs1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000057614187 IJ Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1cccs1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000057614188 IJ Annotated Anodyne COc1cc(OC)c([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]3CCCN32)cc1OC ZINC000058046385 IJ Annotated Anodyne COc1cc(OC)c([C@@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]3CCCN23)cc1OC ZINC000058046388 IJ Annotated Anodyne COc1cc([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]3CCCN32)cc(OC)c1OC ZINC000058046468 IJ Annotated Anodyne COc1cc([C@@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]3CCCN23)cc(OC)c1OC ZINC000058046470 IJ Annotated Anodyne O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccccc1I ZINC000058135434 IJ Annotated Reactive C[C@H]1/C(=N/N=C2\NC(=O)CS2)C[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000058480461 IJ Annotated Mild C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3C[C@@H](O)[C@@H](C)C[C@@H](OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000058492114 IJ Annotated Mild O=c1ccn(-c2cccc(OC(F)(F)F)c2)nc1-c1[nH]c(Cl)nc1-c1ccccc1 ZINC000584904839 IJ Annotated Anodyne C[C@@H]1CCCC[C@@H]1n1c(-c2ccc(C[C@@H](C#N)C(=O)N(C)C)o2)nc2c[nH]c3nccc-3c21 ZINC000584904880 IJ Annotated Mild CC(C)(C)c1cccc(C(=O)NCC2(NC(=O)c3cccc4nocc34)CCCCC2)c1 ZINC000584904890 IJ Annotated Anodyne CN(C)C(=O)/C(C#N)=C/c1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)o1 ZINC000584905009 IJ Annotated Reactive CN(C)C(=O)/C(C#N)=C\c1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)o1 ZINC000584905015 IJ Annotated Reactive Cc1c(Oc2ccccc2OCCn2ccc(O)nc2=O)cc(Cl)c2ccc(C#N)cc12 ZINC000584905077 IJ Annotated Mild C[C@@H]1CCCC[C@@H]1n1c(-c2ccc(/C=C(/C#N)C(=O)N(C)C)o2)nc2c[nH]c3nccc-3c21 ZINC000584905087 IJ Annotated Reactive Cn1nc(C(=O)NCc2cccc3ccccc23)c2c1CCN(Cc1c[nH]c3ccccc13)C2 ZINC000584905235 IJ Annotated Anodyne CC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000058502103 IJ Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(/C=N/Oc2ccc(Cl)cc2)cc1 ZINC000058512719 IJ Annotated Mild O=S(=O)(NC[C@H](c1ccccc1)N1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000058519386 IJ Annotated Anodyne O=C1CC(c2ccncc2)=NN1[C@H]1C[C@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000058520087 IJ Annotated Anodyne CC(C)(O)c1sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n2c1C(=O)O ZINC000058538437 IJ Annotated Anodyne CCCC1=Nc2n[nH]cc2[C@@H](c2cccc(C#N)c2Br)[C@H]1c1nnc(C)o1 ZINC000058538537 IJ Annotated Mild O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3cccc(Cl)c3c2=O)cc1 ZINC000058575319 IJ Annotated Bother O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3c(Cl)cccc3c2=O)cc1 ZINC000058575864 IJ Annotated Bother O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3cc(Cl)ccc3c2=O)cc1 ZINC000058580919 IJ Annotated Bother CC(C)(O)CC(=O)Nc1ccc2ccn(Cc3cccc(-c4cccc5c4OCO5)n3)c2c1 ZINC000058581128 IJ Annotated Anodyne O=C(CCCc1ccc(C(F)(F)F)cn1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 ZINC000058583061 IJ Annotated Clean O=C(CCCc1ccc(C(F)(F)F)nc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 ZINC000058590438 IJ Annotated Clean Cc1nc(C(F)(F)F)ccc1/C=C/C(=O)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 ZINC000058590498 IJ Annotated Clean COc1cc(-c2nc(Cc3ccc4cn[nH]c4c3)c3ccccc3n2)cc(OC)c1OC ZINC000058590731 IJ Annotated Anodyne CC(C)(C)C(=O)Nc1ccc2ncn(Cc3cccc(-c4cccc5c4OCO5)n3)c2c1 ZINC000058592114 IJ Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccc(OC)cc12 ZINC000058608974 IJ Annotated Anodyne C[C@H](O)CNc1nc(Oc2ccc(F)cc2F)nc2[nH]nc(-c3ccccc3Cl)c12 ZINC000058631472 IJ Annotated Anodyne COc1ccc(CCN2CN=C(SCc3cc(Cl)cc(Cl)c3)NC2)cc1OC ZINC000058631488 IJ Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O ZINC000058632835 IJ Annotated Anodyne O=C1[C@@H]2CN(C(=O)Nc3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000058638643 IJ Annotated Anodyne COc1cc2cc(C(=O)[C@@H]3CC[N+](C)(Cc4ccccc4)CC[C@@H]3O)sc2cc1OC ZINC000058655315 IJ Annotated Bother C[C@]1(OC/C=C/c2ccccc2)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000058668929 IJ Annotated Reactive CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000058984016 IJ Annotated Anodyne O=C(O)/C=C/c1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586878979 IJ Annotated Anodyne O=C(O)/C=C\c1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586878991 IJ Annotated Anodyne O=C(O)/C=C/c1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586879298 IJ Annotated Anodyne O=C(O)/C=C\c1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586879299 IJ Annotated Anodyne CC1=C(c2ccc3nc(-c4ccccc4C(=O)c4cc(C)ccc4C)[nH]c3c2)NNC(=O)C1 ZINC000586880917 IJ Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586881337 IJ Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586881341 IJ Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000586882504 IJ Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]1)C2 ZINC000586883409 IJ Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]1)C2 ZINC000586883417 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5C[C@H]6C=CC[C@@H](C5)C6=O)[nH]c4c3)o2)cc1 ZINC000586884071 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@H]6C=CC[C@@H](C5)C6=O)[nH]c4c3)o2)cc1 ZINC000586884077 IJ Annotated Anodyne Nc1nc(O)c2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2n1 ZINC000586885039 IJ Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)C2 ZINC000586885703 IJ Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)C2 ZINC000586885704 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1 ZINC000586887857 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1 ZINC000586887860 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1 ZINC000586887861 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1 ZINC000586887862 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586889040 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586889052 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586889054 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586889055 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 ZINC000586890163 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 ZINC000586890167 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 ZINC000586890170 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1 ZINC000586890171 IJ Annotated Anodyne Oc1cccc([C@H](O)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000586890386 IJ Annotated Anodyne Oc1cccc([C@@H](O)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000586890401 IJ Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586891057 IJ Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586891060 IJ Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586891062 IJ Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586891065 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586891149 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586891150 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586891151 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586891152 IJ Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000586894792 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4ccccc4CO)c3)nc2c1 ZINC000586895188 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C56CCC(CO)(CC5)CC6)[nH]c4c3)o2)cc1 ZINC000586895671 IJ Annotated Anodyne Oc1cccc(CCCCc2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000586896069 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 ZINC000586896231 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 ZINC000586896310 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 ZINC000586896637 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 ZINC000586896766 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 ZINC000586897540 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 ZINC000586897998 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc5c(c4O)CCCC5)[nH]c3c2)cc1 ZINC000586898116 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 ZINC000586898754 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 ZINC000586899362 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1 ZINC000586899407 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586900207 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586900212 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586900213 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586900214 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586900274 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586900275 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 ZINC000586900276 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 ZINC000586900277 IJ Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586900802 IJ Annotated Bother O=Cc1ccc(OCc2occc2-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586900820 IJ Annotated Clean O=Cc1ccc(OCc2occc2-c2nc3cccc(I)c3[nH]2)cc1 ZINC000586900875 IJ Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586900876 IJ Annotated Bother Clc1ncc(I)c2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 ZINC000586900943 IJ Annotated Mild O=Cc1ccc(OCc2occc2-c2nc3ccc(I)cc3[nH]2)cc1 ZINC000586900975 IJ Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000586901201 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3cc4c(C=O)ccc(OC)c4o3)[nH]c2c1 ZINC000586904174 IJ Annotated Anodyne Cc1oc2c(c1-c1nc3c(Br)cnc(Br)c3[nH]1)C(=O)CCC2 ZINC000586904782 IJ Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586906603 IJ Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586906605 IJ Annotated Anodyne COC(=O)c1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586906659 IJ Annotated Anodyne COC(=O)c1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586906661 IJ Annotated Anodyne O=C1O/C(=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586906734 IJ Annotated Anodyne O=C1O/C(=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2ccccc21 ZINC000586906735 IJ Annotated Anodyne O=C1O/C(=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc21 ZINC000586906759 IJ Annotated Anodyne O=C1O/C(=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2ccccc21 ZINC000586906760 IJ Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(OC(F)(F)F)cc(Br)cc3[nH]1)=C2 ZINC000586906896 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 ZINC000586907095 IJ Annotated Anodyne COC(=O)c1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c(F)c1Nc1ccccc1 ZINC000586907414 IJ Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2cc1Br ZINC000586907538 IJ Annotated Reactive O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586907910 IJ Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586907912 IJ Annotated Anodyne COC(=O)c1cc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000586907926 IJ Annotated Anodyne CCCCCOc1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2cc1Br ZINC000586908020 IJ Annotated Reactive COC(=O)c1cc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000586908076 IJ Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(Br)cc(OC(F)(F)F)cc3[nH]1)=C2 ZINC000586908628 IJ Annotated Anodyne Oc1cccc2c1OCC(c1nc3cc(Br)c(OC(F)(F)F)cc3[nH]1)=C2 ZINC000586909249 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H]5CCc6occc6C5=O)[nH]c4c3)o2)cc1 ZINC000586909561 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@H]5CCc6occc6C5=O)[nH]c4c3)o2)cc1 ZINC000586909564 IJ Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586909632 IJ Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586909633 IJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(CCCCCC#CCO[C@@H]3CCCCO3)nc1-2 ZINC000586910398 IJ Annotated Mild O=C(O)c1cc(Br)cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586910400 IJ Annotated Mild O=C(O)c1cc(Br)cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586910402 IJ Annotated Mild FC(F)(F)c1nc(Cl)[nH]c2nc(CCCCCC#CCO[C@H]3CCCCO3)nc1-2 ZINC000586910403 IJ Annotated Mild N#Cc1cc(Br)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586911619 IJ Annotated Mild N#Cc1cc(Br)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586911620 IJ Annotated Mild CC1(C)COc2c(-c3nc4c(I)cnc(Cl)c4[nH]3)cccc21 ZINC000586912026 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cccc4c3OCC4(C)C)[nH]c2c1 ZINC000586912503 IJ Annotated Anodyne CCCOc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Br ZINC000586912542 IJ Annotated Anodyne O=C(O)c1cc2[nH]c(C3=COCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586912608 IJ Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(C4(c5ccc(O)cc5)CCOCC4)[nH]c3c2)cc1 ZINC000586912697 IJ Annotated Anodyne CC(C)Oc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Br ZINC000586913940 IJ Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586914751 IJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2c1 ZINC000586914994 IJ Annotated Mild COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586915174 IJ Annotated Clean COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586915176 IJ Annotated Clean COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586915262 IJ Annotated Clean COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586915263 IJ Annotated Clean COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586915359 IJ Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586915360 IJ Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586915361 IJ Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586915448 IJ Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000586915562 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(Br)c(O)c4[nH]3)c(=O)oc2c1C ZINC000586917010 IJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C#N)c(C#N)cc4[nH]3)c(=O)oc2c1C ZINC000586917084 IJ Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)nc2c1 ZINC000586917107 IJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C(=N)N)cc4[nH]3)c(=O)oc2c1C ZINC000586917134 IJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(CCO)cc4[nH]3)c(=O)oc2c1C ZINC000586917151 IJ Annotated Anodyne C[C@H]1CCO[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C1 ZINC000586917507 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c(=O)oc2c1C ZINC000586917713 IJ Annotated Bother COc1ccc2c(C)c(CCc3nc4ccc(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586917757 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cccc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586917806 IJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc5c(cc4[nH]3)OCO5)c(=O)oc2c1C ZINC000586917814 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 ZINC000586917818 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(F)c(Br)c4[nH]3)c(=O)oc2c1C ZINC000586918193 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(F)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586918197 IJ Annotated Anodyne O=c1ccc2cc(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)ccc2o1 ZINC000586918293 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)c(C)nc4[nH]3)c(=O)oc2c1C ZINC000586918300 IJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc5c(cc4[nH]3)OCCO5)c(=O)oc2c1C ZINC000586918307 IJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cncc([N+](=O)[O-])c4[nH]3)c(=O)oc2c1C ZINC000586918312 IJ Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc([C@@H](N)N=O)cc4[nH]3)c(=O)oc2c1C ZINC000586918314 IJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc([C@H](N)N=O)cc4[nH]3)c(=O)oc2c1C ZINC000586918315 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)c(F)cc4[nH]3)c(=O)oc2c1C ZINC000586918495 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c(=O)oc2c1C ZINC000586918640 IJ Annotated Mild CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(C(=O)O)c4[nH]3)c(=O)oc2c1C ZINC000586918672 IJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C(=O)O)cc4[nH]3)c(=O)oc2c1C ZINC000586918693 IJ Annotated Anodyne O=c1ccc2cc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)ccc2o1 ZINC000586918743 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4c(C)c(Br)cnc4[nH]3)c(=O)oc2c1C ZINC000586918748 IJ Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc([N+](=O)[O-])cnc4[nH]3)c(=O)oc2c1C ZINC000586918757 IJ Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc5nc(O)[nH]c5cc4[nH]3)c(=O)oc2c1C ZINC000586918981 IJ Annotated Anodyne O=c1ccc2cc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)ccc2o1 ZINC000586919085 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 ZINC000586919113 IJ Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4c(F)cnc(Br)c4[nH]3)ccc12 ZINC000586919250 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cccc(OC(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586919279 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(Br)c(F)c4[nH]3)c(=O)oc2c1C ZINC000586919286 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(OC(F)(F)F)cc4[nH]3)c(=O)oc2c1C ZINC000586919293 IJ Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)cc(F)c4[nH]3)c(=O)oc2c1C ZINC000586919305 IJ Annotated Anodyne CSc1sc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919571 IJ Annotated Bother CSc1sc(-c2nc3cc4c(cc3[nH]2)OCO4)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919572 IJ Annotated Anodyne COc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2cc1F ZINC000586919619 IJ Annotated Anodyne CSc1sc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919709 IJ Annotated Anodyne COc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2cc1OC ZINC000586919747 IJ Annotated Anodyne CSc1sc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919827 IJ Annotated Anodyne CSc1sc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919837 IJ Annotated Anodyne CSc1sc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919840 IJ Annotated Anodyne CSc1sc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919855 IJ Annotated Anodyne O=S(=O)(CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920003 IJ Annotated Anodyne CSc1sc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920076 IJ Annotated Anodyne CSc1sc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920102 IJ Annotated Mild COc1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586920150 IJ Annotated Anodyne COC(=O)c1cccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c12 ZINC000586920179 IJ Annotated Anodyne CSc1sc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920281 IJ Annotated Bother COc1cc(OC)c2[nH]c(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)nc2c1 ZINC000586920443 IJ Annotated Anodyne CSc1sc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920495 IJ Annotated Bother O=S(=O)(CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920552 IJ Annotated Anodyne CSc1sc(-c2nc3ccc(C(=O)O)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920600 IJ Annotated Anodyne O=S(=O)(CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920643 IJ Annotated Anodyne COC(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2c1 ZINC000586920709 IJ Annotated Anodyne O=S(=O)(CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920735 IJ Annotated Anodyne CSc1sc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920794 IJ Annotated Mild CSc1sc(-c2nc3cccc(C(=O)O)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920813 IJ Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000586921014 IJ Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2c1 ZINC000586921059 IJ Annotated Anodyne O=S(=O)(CCc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921584 IJ Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586921593 IJ Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1)c1ccccc1 ZINC000586921717 IJ Annotated Anodyne Cc1nc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2cc1Br ZINC000586921728 IJ Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586922016 IJ Annotated Anodyne O=S(=O)(CCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586922301 IJ Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccccc1 ZINC000586922362 IJ Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586922365 IJ Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000586922451 IJ Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586922452 IJ Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586922464 IJ Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cccc(Br)c2[nH]1)c1ccccc1 ZINC000586922537 IJ Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586922543 IJ Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccccc1 ZINC000586922650 IJ Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586922653 IJ Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1)c1ccccc1 ZINC000586922692 IJ Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586922804 IJ Annotated Anodyne O=S(=O)(/C=C/c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586924059 IJ Annotated Anodyne O=S(=O)(/C=C\c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586924060 IJ Annotated Anodyne O=S(=O)(/C=C\c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586924070 IJ Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586924071 IJ Annotated Anodyne O=S(=O)(/C=C\c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccccc1 ZINC000586924154 IJ Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccccc1 ZINC000586924155 IJ Annotated Anodyne O=S(=O)(/C=C\c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586924298 IJ Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586924299 IJ Annotated Anodyne O=S(=O)(/C=C\c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000586924404 IJ Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000586924405 IJ Annotated Anodyne CC(C)CCOc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Br ZINC000586924408 IJ Annotated Anodyne O=S(=O)(Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C1CCCC1 ZINC000586924413 IJ Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Br)cc2[nH]1 ZINC000586924439 IJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586924479 IJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586924485 IJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586924608 IJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586924671 IJ Annotated Unstable O=S(=O)(/C=C\c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000586924726 IJ Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000586924727 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C/S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586924771 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C\S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586924783 IJ Annotated Anodyne O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(Br)nc3[nH]2)c1Cl ZINC000586924879 IJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586925032 IJ Annotated Unstable CCCCCOc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Br ZINC000586925190 IJ Annotated Anodyne O=S(=O)(/C=C\c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccccc1 ZINC000586925212 IJ Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccccc1 ZINC000586925213 IJ Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586925321 IJ Annotated Unstable CS(=O)(=O)/C=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586925383 IJ Annotated Reactive CS(=O)(=O)/C=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586925384 IJ Annotated Reactive COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586925459 IJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1Cl ZINC000586925520 IJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Cl)ncc3[nH]2)c1 ZINC000586925714 IJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000586925753 IJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586925776 IJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000586925819 IJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586925847 IJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586925858 IJ Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cccc(Br)c2[nH]1 ZINC000586925883 IJ Annotated Unstable Cc1cc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c(C)n1 ZINC000586925988 IJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000586926034 IJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Br)cnc3[nH]2)c1Cl ZINC000586926063 IJ Annotated Unstable CCOC(=O)Cc1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 ZINC000586926076 IJ Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1Cl ZINC000586926082 IJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(Br)ccnc3[nH]2)c1Cl ZINC000586926117 IJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Br)ncc3[nH]2)c1Cl ZINC000586926174 IJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cncc(Br)c3[nH]2)c1Cl ZINC000586926471 IJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccnc(Br)c3[nH]2)c1Cl ZINC000586926478 IJ Annotated Unstable CCOC(=O)c1ccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c1 ZINC000586926530 IJ Annotated Unstable COC(=O)c1cc(Cl)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc2c1 ZINC000586926614 IJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000586926633 IJ Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1Cl ZINC000586926703 IJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1Cl ZINC000586926728 IJ Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Br)c(O)c3[nH]2)c1Cl ZINC000586926753 IJ Annotated Unstable CCc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586926790 IJ Annotated Unstable CC(C)COc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586926792 IJ Annotated Anodyne CC(C)COc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586926794 IJ Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000586926893 IJ Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1Cl ZINC000586926966 IJ Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1Cl ZINC000586926996 IJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000586927046 IJ Annotated Unstable COc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586927105 IJ Annotated Unstable CCc1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927140 IJ Annotated Unstable O=S(=O)(/C=C/c1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1 ZINC000586927171 IJ Annotated Anodyne O=S(=O)(/C=C\c1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1 ZINC000586927172 IJ Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000586927287 IJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1Cl ZINC000586927295 IJ Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1Cl ZINC000586927302 IJ Annotated Unstable CCc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927305 IJ Annotated Unstable CC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586927390 IJ Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000586927453 IJ Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)c(C)nc3[nH]2)c1Cl ZINC000586927459 IJ Annotated Unstable COc1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586927461 IJ Annotated Unstable O=S(=O)(/C=C\c1nc2cc(Br)c(Br)cc2[nH]1)c1ccccc1 ZINC000586927592 IJ Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(Br)c(Br)cc2[nH]1)c1ccccc1 ZINC000586927594 IJ Annotated Anodyne CCCCOc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586927718 IJ Annotated Anodyne CCCCOc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586927723 IJ Annotated Anodyne O=S(=O)(Cl)c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1Cl ZINC000586927785 IJ Annotated Unstable Cc1cc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927941 IJ Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1Cl ZINC000586928045 IJ Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1Cl ZINC000586928118 IJ Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1Cl ZINC000586928273 IJ Annotated Unstable CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(Cl)c3[nH]2)c1 ZINC000586928496 IJ Annotated Anodyne CN(Cc1nc2c3ccccc3c3ccccc3c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928596 IJ Annotated Mild CN(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928821 IJ Annotated Anodyne CN(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929020 IJ Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929137 IJ Annotated Anodyne CCc1ccc2nc(-c3cc(S(=O)(=O)N(CC)CC)ccc3N3CCCCC3)[nH]c2c1 ZINC000586929791 IJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)cc1 ZINC000586930177 IJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586930181 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000586930282 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000586930288 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000586930355 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C)cc(C)c3[nH]2)c1 ZINC000586930535 IJ Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586930606 IJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(C)ccc(C)c3[nH]2)c1 ZINC000586930619 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000586930720 IJ Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586930751 IJ Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000586930923 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C)c(C)cc3[nH]2)c1 ZINC000586930989 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000586931186 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C)cc(F)c3[nH]2)c1 ZINC000586931196 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(C)c3[nH]2)c1 ZINC000586931232 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C)c(C)c3[nH]2)c1 ZINC000586931247 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1 ZINC000586931269 IJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000586931409 IJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c2)cc1 ZINC000586931416 IJ Annotated Mild Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc5ncccc5c4[nH]3)c2)cc1 ZINC000586931497 IJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(C)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586931536 IJ Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)cc1 ZINC000586931581 IJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000586931696 IJ Annotated Bother CCCCS(=O)(=O)N[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(C)C ZINC000586933333 IJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(C)C ZINC000586933336 IJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586933653 IJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586933655 IJ Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(OCCC)c(Br)cc2[nH]1)C(C)C ZINC000586933779 IJ Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(OCCC)c(Br)cc2[nH]1)C(C)C ZINC000586933781 IJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnc3ccccc3c2[nH]1 ZINC000586934471 IJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnc3ccccc3c2[nH]1 ZINC000586934474 IJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586934818 IJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586934820 IJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586934930 IJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586934932 IJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(SC)cc2[nH]1 ZINC000586934997 IJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(SC)cc2[nH]1 ZINC000586935002 IJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc3ncccc3c2[nH]1 ZINC000586935069 IJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc3ncccc3c2[nH]1 ZINC000586935071 IJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586935232 IJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586935234 IJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586935614 IJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586935615 IJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586935738 IJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586935742 IJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)c(Cl)cc2[nH]1 ZINC000586935921 IJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C)c(Cl)cc2[nH]1 ZINC000586935923 IJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586936007 IJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586936009 IJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586936073 IJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586936075 IJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586936415 IJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586936416 IJ Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c1 ZINC000586936844 IJ Annotated Reactive CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000586936994 IJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000586936996 IJ Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)c1 ZINC000586937386 IJ Annotated Anodyne C=CCc1cccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c12 ZINC000586937575 IJ Annotated Mild C=CCc1cccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c12 ZINC000586937587 IJ Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000586937588 IJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000586937591 IJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586937723 IJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586937724 IJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586937977 IJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586937979 IJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586938181 IJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586938183 IJ Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](NS(=O)(=O)c4ccc(Cl)cc4)C(C)C)[nH]c32)n1 ZINC000586938635 IJ Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](NS(=O)(=O)c4ccc(Cl)cc4)C(C)C)[nH]c32)n1 ZINC000586938638 IJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586939082 IJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586939089 IJ Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000586939197 IJ Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000586939199 IJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000586939296 IJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000586939297 IJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586939507 IJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586939508 IJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000586939813 IJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000586939815 IJ Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586939849 IJ Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586939850 IJ Annotated Anodyne COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Cl ZINC000586940067 IJ Annotated Anodyne COc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Cl ZINC000586940069 IJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000586940747 IJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000586940748 IJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586940934 IJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586940935 IJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000586940941 IJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000586940942 IJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586940976 IJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586940978 IJ Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586941678 IJ Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586941679 IJ Annotated Anodyne CC(C)(C)c1cccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586942838 IJ Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943022 IJ Annotated Anodyne CC(C)(C)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586943343 IJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)cc2)cc1 ZINC000586943846 IJ Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(C)ccc(C)c4[nH]3)cc2)cc1 ZINC000586944580 IJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586944999 IJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586945028 IJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586945033 IJ Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586945458 IJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586945522 IJ Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586945651 IJ Annotated Reactive Cc1ccc2c(ccc3nc(-c4sccc4S(=O)(=O)NCc4cccs4)[nH]c32)n1 ZINC000586945764 IJ Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586945941 IJ Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586945996 IJ Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586946118 IJ Annotated Anodyne CC(C)Oc1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586946390 IJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586946440 IJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586946503 IJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586946647 IJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586946648 IJ Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000586946719 IJ Annotated Anodyne CC(C)(C)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2n1 ZINC000586946935 IJ Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586947153 IJ Annotated Reactive O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586947207 IJ Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586947244 IJ Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(C#N)nc(Cl)cc4[nH]3)cc2)c1C ZINC000586947604 IJ Annotated Mild Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000586947835 IJ Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000586947959 IJ Annotated Bother Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cc1F ZINC000586948537 IJ Annotated Bother O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3ncc[nH]c-3n2)cc1 ZINC000586948556 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3ncncc3[nH]2)cc1 ZINC000586949098 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 ZINC000586949123 IJ Annotated Anodyne CCc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000586949125 IJ Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(Cl)c2[nH]1 ZINC000586949138 IJ Annotated Bother Cc1cc(F)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2c1 ZINC000586949161 IJ Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(F)c(C)c2[nH]1 ZINC000586949196 IJ Annotated Bother CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586949292 IJ Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000586949513 IJ Annotated Bother C=CCc1cccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c12 ZINC000586949518 IJ Annotated Mild CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586949868 IJ Annotated Anodyne CC(C)(C)c1cccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586950265 IJ Annotated Anodyne O=S(=O)(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950348 IJ Annotated Anodyne C=CCc1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586950497 IJ Annotated Mild CC(C)(C)c1cccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951162 IJ Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951171 IJ Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc4ccccc4cc3[nH]2)c1 ZINC000586951419 IJ Annotated Anodyne CC(C)(C)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586951522 IJ Annotated Anodyne O=S(=O)(Cc1nc2cccc(C(F)(F)F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951549 IJ Annotated Anodyne O=S(=O)(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951575 IJ Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC1 ZINC000586952066 IJ Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586952314 IJ Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000586952883 IJ Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586952955 IJ Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586953340 IJ Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586953699 IJ Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000586953807 IJ Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc4ncccc4c3[nH]2)CC1 ZINC000586954231 IJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc12 ZINC000586954233 IJ Annotated Anodyne Cc1c(Br)ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586954265 IJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3c(Cl)ccnc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954313 IJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3cccc(F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954342 IJ Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cnc4ccccc4c3[nH]2)CC1 ZINC000586954362 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)CC2)cc1 ZINC000586954473 IJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cnc5ccccc5c4[nH]3)CC2)cc1 ZINC000586954516 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C)c(Br)cc4[nH]3)CC2)cc1 ZINC000586954562 IJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc12 ZINC000586954589 IJ Annotated Anodyne CC(C)(C)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2n1 ZINC000586954616 IJ Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 ZINC000586954657 IJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3cncc(Cl)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954759 IJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(F)cc(F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954773 IJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(C#N)cc(Cl)c4[nH]3)CC2)cc1 ZINC000586954915 IJ Annotated Mild O=S(=O)(c1cc(-c2nc3cc(Cl)cnc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955133 IJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(F)c(F)c(F)c4[nH]3)CC2)cc1 ZINC000586955273 IJ Annotated Anodyne CSc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2c1 ZINC000586955544 IJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(C)(C)C)nc4[nH]3)CC2)cc1 ZINC000586955590 IJ Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC1 ZINC000586955626 IJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc(Cl)nc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955675 IJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccnc(Cl)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955721 IJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc5ncccc5c4[nH]3)CC2)cc1 ZINC000586955797 IJ Annotated Anodyne C=CCc1cccc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c12 ZINC000586956239 IJ Annotated Mild Cc1cc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2c(C)n1 ZINC000586956255 IJ Annotated Anodyne N#Cc1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586956278 IJ Annotated Mild COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(Cl)c2[nH]1 ZINC000586956348 IJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956366 IJ Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc(F)c(F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956384 IJ Annotated Anodyne N#Cc1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1 ZINC000586956463 IJ Annotated Mild COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(C)c(C)c2[nH]1 ZINC000586956495 IJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000586956638 IJ Annotated Anodyne COc1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586956664 IJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C)cc(C)c2[nH]1 ZINC000586956739 IJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C)c(C)cc2[nH]1 ZINC000586956841 IJ Annotated Anodyne CCc1ccc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2c1 ZINC000586956863 IJ Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(C)ccc(C)c2[nH]1 ZINC000586956881 IJ Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586957513 IJ Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586957514 IJ Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586957515 IJ Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586957516 IJ Annotated Anodyne O=[S@](Cc1nc2cc(Br)ncc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957698 IJ Annotated Anodyne O=[S@@](Cc1nc2cc(Br)ncc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957703 IJ Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586958301 IJ Annotated Reactive C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586958307 IJ Annotated Reactive COc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1Cl ZINC000586958688 IJ Annotated Anodyne COc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1Cl ZINC000586958690 IJ Annotated Anodyne O=[S@](CCCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586958708 IJ Annotated Anodyne O=[S@@](CCCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586958714 IJ Annotated Anodyne O=[S@](CCCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586958739 IJ Annotated Anodyne O=[S@@](CCCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(Br)cc1 ZINC000586958742 IJ Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cnncc3[nH]2)cc1 ZINC000586958824 IJ Annotated Anodyne O=[N+]([O-])c1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1Cl ZINC000586959053 IJ Annotated Bother O=[N+]([O-])c1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1Cl ZINC000586959054 IJ Annotated Bother O=[S@](Cc1nc2c(Br)ccnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959172 IJ Annotated Anodyne O=[S@@](Cc1nc2c(Br)ccnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959174 IJ Annotated Anodyne O=[S@](CCCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586959299 IJ Annotated Anodyne O=[S@@](CCCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586959302 IJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959490 IJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959495 IJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959496 IJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959497 IJ Annotated Anodyne O=[S@](CCCc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959782 IJ Annotated Anodyne O=[S@@](CCCc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959786 IJ Annotated Anodyne CC(C)(SCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(=O)O ZINC000586960071 IJ Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C[S@@](=O)CC3CC3)[nH]c12 ZINC000586960202 IJ Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C[S@](=O)CC3CC3)[nH]c12 ZINC000586960205 IJ Annotated Anodyne O=[S@](CCCc1nc2cccc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586960260 IJ Annotated Anodyne O=[S@@](CCCc1nc2cccc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586960262 IJ Annotated Anodyne O=[S@](Cc1nc2ccnc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960287 IJ Annotated Anodyne O=[S@@](Cc1nc2ccnc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960288 IJ Annotated Anodyne O=[S@](Cc1nc2ccc(Br)nc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960337 IJ Annotated Anodyne O=[S@@](Cc1nc2ccc(Br)nc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960338 IJ Annotated Anodyne O=[S@](CCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586960359 IJ Annotated Anodyne O=[S@@](CCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586960363 IJ Annotated Anodyne O=[S@](CCCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(Br)cc1 ZINC000586960863 IJ Annotated Anodyne O=[S@@](CCCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(Br)cc1 ZINC000586960864 IJ Annotated Anodyne O=[S@](CCCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586960983 IJ Annotated Anodyne O=[S@@](CCCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586960986 IJ Annotated Anodyne O=[S@](Cc1nc2cncc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961248 IJ Annotated Anodyne O=[S@@](Cc1nc2cncc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961250 IJ Annotated Anodyne O=[S@@](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961251 IJ Annotated Anodyne O=[S@](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961256 IJ Annotated Anodyne O=[S@](CCCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586961292 IJ Annotated Anodyne O=[S@@](CCCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586961294 IJ Annotated Anodyne O=[S@](Cc1nc2cc(Br)cnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961359 IJ Annotated Anodyne O=[S@@](Cc1nc2cc(Br)cnc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961360 IJ Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586961428 IJ Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586961431 IJ Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586961432 IJ Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586961433 IJ Annotated Mild CCOC(=O)Cc1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586961549 IJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586961556 IJ Annotated Anodyne Cc1ccc2c(ccc3nc(CCC[S@@](=O)c4ccc(Br)cc4)[nH]c32)n1 ZINC000586961766 IJ Annotated Anodyne Cc1ccc2c(ccc3nc(CCC[S@](=O)c4ccc(Br)cc4)[nH]c32)n1 ZINC000586961775 IJ Annotated Anodyne O=[S@](Cc1nc2c(F)cnc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961802 IJ Annotated Anodyne O=[S@@](Cc1nc2c(F)cnc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961818 IJ Annotated Anodyne O=[S@@](CCCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961952 IJ Annotated Anodyne O=[S@](CCCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961953 IJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc4ncccc4c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962122 IJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc4ncccc4c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962128 IJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc4ncccc4c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962131 IJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc4ncccc4c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962132 IJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc4ccccc4c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962139 IJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc4ccccc4c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962143 IJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc4ccccc4c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962147 IJ Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cnc4ccccc4c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962151 IJ Annotated Anodyne COc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C ZINC000586962227 IJ Annotated Anodyne COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C ZINC000586962228 IJ Annotated Anodyne COc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C ZINC000586962229 IJ Annotated Anodyne COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1C ZINC000586962231 IJ Annotated Anodyne CSc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586962781 IJ Annotated Anodyne CSc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586962785 IJ Annotated Anodyne CSc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586962787 IJ Annotated Anodyne CSc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586962789 IJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12 ZINC000586962792 IJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 ZINC000586962795 IJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12 ZINC000586962798 IJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 ZINC000586962802 IJ Annotated Anodyne Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2c1C ZINC000586962811 IJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc4ncccc4c3[nH]2)ccc1Cl ZINC000586962913 IJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cnc4ccccc4c3[nH]2)ccc1Cl ZINC000586963362 IJ Annotated Anodyne Cc1c(F)ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c12 ZINC000586963516 IJ Annotated Anodyne CCc1ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2c1 ZINC000586963762 IJ Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc12 ZINC000586963788 IJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(F)c(F)c3[nH]2)ccc1Cl ZINC000586963829 IJ Annotated Anodyne Cc1cc(F)c2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc2c1 ZINC000586963830 IJ Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(F)cc(F)c3[nH]2)ccc1Cl ZINC000586963960 IJ Annotated Anodyne Cc1cc(C)c2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc2c1 ZINC000586963962 IJ Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ncc[nH]c-3n2)cc1 ZINC000586964120 IJ Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cncnc3[nH]2)cc1 ZINC000586964121 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)Sc5ncccn5)[nH]c4c3)o2)cc1 ZINC000586964186 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)Sc5ncccn5)[nH]c4c3)o2)cc1 ZINC000586964187 IJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc12 ZINC000586964188 IJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(Br)cnc(Cl)c4[nH]3)n2C)cc1 ZINC000586964706 IJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)n2C)cc1 ZINC000586964794 IJ Annotated Mild CC(C)Cn1c(SCc2nc3ncc[nH]c-3n2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964795 IJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(C#N)cc(Br)c4[nH]3)n2C)cc1 ZINC000586964798 IJ Annotated Mild Cc1ccc(-c2nnc(SCc3nc4cc(F)cc(Br)c4[nH]3)n2C)cc1 ZINC000586964870 IJ Annotated Anodyne Brc1nccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586964934 IJ Annotated Anodyne O=[N+]([O-])c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Cl ZINC000586964950 IJ Annotated Bother Brc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cn1 ZINC000586965015 IJ Annotated Anodyne Brc1cnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586965223 IJ Annotated Anodyne CC(C)Cn1c(SCc2nc3ccnc(N)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965314 IJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)n2C)cc1 ZINC000586965366 IJ Annotated Anodyne Brc1ccnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 ZINC000586965395 IJ Annotated Anodyne Brc1cncc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586965517 IJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(Cl)c(Br)cnc4[nH]3)n2C)cc1 ZINC000586965613 IJ Annotated Anodyne CC(C)Cn1c(SCc2nc3cncnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965684 IJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(F)c(Br)c4[nH]3)n2C)cc1 ZINC000586965711 IJ Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(N)ncc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965796 IJ Annotated Anodyne CC(C)Cn1c(SCc2nc3cnncc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965804 IJ Annotated Anodyne Brc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2n1 ZINC000586965894 IJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(Br)c(F)cc4[nH]3)n2C)cc1 ZINC000586965906 IJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(Br)cc(F)c4[nH]3)n2C)cc1 ZINC000586965946 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(Br)nc3[nH]2)cc1Cl ZINC000586965978 IJ Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(Br)c(F)c4[nH]3)n2C)cc1 ZINC000586966021 IJ Annotated Anodyne Fc1cc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2cc1-n1cccn1 ZINC000586966059 IJ Annotated Anodyne FC1(F)Oc2cc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c3cc2O1 ZINC000586966080 IJ Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c(F)cnc(Br)c3[nH]2)c(C)c1 ZINC000586966121 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccnc(Br)c3[nH]2)cc1Cl ZINC000586966150 IJ Annotated Anodyne Fc1c(F)c(F)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1F ZINC000586966161 IJ Annotated Anodyne CCCCOc1cc2nc(CSc3nc(O)cc(CC)n3)[nH]c2cc1Br ZINC000586966242 IJ Annotated Anodyne CCCCOc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1Br ZINC000586966422 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)cnc3[nH]2)cc1Cl ZINC000586966444 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)ncc3[nH]2)cc1Cl ZINC000586966487 IJ Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)n1 ZINC000586966508 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)c(C)nc3[nH]2)cc1Cl ZINC000586966519 IJ Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)n1 ZINC000586966563 IJ Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000586966598 IJ Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586966607 IJ Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586966650 IJ Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 ZINC000586966666 IJ Annotated Anodyne c1ccc(Cn2c(SCc3nc4cc5c(cc4[nH]3)OCCCO5)nnc2C2CC2)cc1 ZINC000586966675 IJ Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)n1 ZINC000586966763 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(C)c(Br)cnc3[nH]2)cc1Cl ZINC000586966774 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(Br)ccnc3[nH]2)cc1Cl ZINC000586966805 IJ Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)n1 ZINC000586966836 IJ Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586966917 IJ Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 ZINC000586966959 IJ Annotated Anodyne CC(C)COc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1Br ZINC000586967019 IJ Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)n1 ZINC000586967025 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cncc(Br)c3[nH]2)cc1Cl ZINC000586967075 IJ Annotated Anodyne FC(F)(F)c1cnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586967152 IJ Annotated Anodyne FC(F)(F)c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cn1 ZINC000586967181 IJ Annotated Anodyne FC(F)(F)Oc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Cl ZINC000586967222 IJ Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586967227 IJ Annotated Anodyne CC(C)Oc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Br ZINC000586967258 IJ Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586967284 IJ Annotated Anodyne CC(C)COc1cc2[nH]c(-c3cccnc3SCC(=O)O)nc2cc1Br ZINC000586967366 IJ Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000586967373 IJ Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586967397 IJ Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 ZINC000586967423 IJ Annotated Anodyne CCCOc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Br ZINC000586967432 IJ Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586967438 IJ Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 ZINC000586967449 IJ Annotated Anodyne CCCCOc1cc2[nH]c(-c3cccnc3SCC(=O)O)nc2cc1Br ZINC000586967454 IJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586967546 IJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586967549 IJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)c(F)cc3[nH]2)C[C@H](C)O1 ZINC000586967550 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1Cl ZINC000586967579 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(Cl)nc3[nH]2)c1C=O ZINC000586967696 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1Cl ZINC000586967744 IJ Annotated Anodyne Cc1cc2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2c(C)n1 ZINC000586967831 IJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cc(F)c3[nH]2)C[C@@H](C)O1 ZINC000586967844 IJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cc(F)c3[nH]2)C[C@@H](C)O1 ZINC000586967846 IJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cc(F)c3[nH]2)C[C@H](C)O1 ZINC000586967848 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc4cn[nH]c4cc3[nH]2)c1C=O ZINC000586967860 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1Cl ZINC000586967885 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cncc(Cl)c3[nH]2)c1C=O ZINC000586967902 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccnc(Cl)c3[nH]2)c1C=O ZINC000586967903 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(Cl)ccnc3[nH]2)c1C=O ZINC000586967910 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3nncn3-c3ccc(C)c(Cl)c3)nc2c1 ZINC000586967928 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1Cl ZINC000586968055 IJ Annotated Anodyne CCOC(=O)c1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2c1 ZINC000586968056 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc4c(cc3[nH]2)OCO4)c1C=O ZINC000586968163 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C#N)c(C#N)cc3[nH]2)c1C=O ZINC000586968172 IJ Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1C=O ZINC000586968177 IJ Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(C(=O)O)cc3[nH]2)c1C=O ZINC000586968195 IJ Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1C ZINC000586968203 IJ Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1C ZINC000586968205 IJ Annotated Anodyne COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1C ZINC000586968206 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1C=O ZINC000586968314 IJ Annotated Bother CCOC(=O)Cc1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2c1 ZINC000586968393 IJ Annotated Anodyne COc1cccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c12 ZINC000586968427 IJ Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1Cl ZINC000586968439 IJ Annotated Bother Cc1cc(F)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2c1 ZINC000586968501 IJ Annotated Anodyne Cc1cc(F)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc2c1 ZINC000586968503 IJ Annotated Anodyne Cc1cc(F)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2c1 ZINC000586968504 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(C(=O)O)c3[nH]2)c1C=O ZINC000586968523 IJ Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586968677 IJ Annotated Anodyne Cc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1F ZINC000586968738 IJ Annotated Anodyne Cc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1F ZINC000586968741 IJ Annotated Anodyne Cc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1F ZINC000586968745 IJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(F)c(F)c3[nH]2)C[C@@H](C)O1 ZINC000586968783 IJ Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(F)c(F)c3[nH]2)C[C@@H](C)O1 ZINC000586968784 IJ Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(F)c(F)c3[nH]2)C[C@H](C)O1 ZINC000586968785 IJ Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)n1 ZINC000586968793 IJ Annotated Anodyne CCc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000586968800 IJ Annotated Anodyne CCc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586968810 IJ Annotated Anodyne CCc1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586968811 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Cl)ncc3[nH]2)c1C=O ZINC000586968880 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Cl)cnc3[nH]2)c1C=O ZINC000586968897 IJ Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CSc3cccc[n+]3[O-])[nH]c12 ZINC000586969207 IJ Annotated Anodyne CC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586969311 IJ Annotated Anodyne CC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000586969315 IJ Annotated Anodyne CC(=O)c1ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000586969316 IJ Annotated Anodyne Cc1c(F)ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c12 ZINC000586969775 IJ Annotated Anodyne Cc1c(F)ccc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c12 ZINC000586969776 IJ Annotated Anodyne Cc1c(F)ccc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c12 ZINC000586969780 IJ Annotated Anodyne CCCC(Br)(CCC)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000586970791 IJ Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586971443 IJ Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586971447 IJ Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586971797 IJ Annotated Reactive COC(C)(C)[C@H](Br)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586971799 IJ Annotated Reactive O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCCCBr)[nH]c2c1 ZINC000586972168 IJ Annotated Reactive O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCCCBr)[nH]c2c1 ZINC000586972245 IJ Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586972986 IJ Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586972987 IJ Annotated Anodyne C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586973041 IJ Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586973042 IJ Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586973107 IJ Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586973109 IJ Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586973324 IJ Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586973325 IJ Annotated Reactive CC1=C(c2ccc3nc(-c4cc([N+](=O)[O-])ccc4SCC(C)C)[nH]c3c2)NNC(=O)C1 ZINC000586973515 IJ Annotated Bother C[C@H](c1ccc(CBr)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000586973576 IJ Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000586973589 IJ Annotated Reactive CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586973800 IJ Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1OC ZINC000586974114 IJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1OC ZINC000586974120 IJ Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586974586 IJ Annotated Bother CC(=O)N[C@H](CSCc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586974588 IJ Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000586974742 IJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000586974746 IJ Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586974983 IJ Annotated Bother CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586974984 IJ Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1OC ZINC000586975363 IJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1OC ZINC000586975364 IJ Annotated Anodyne COc1cc(/C=C/c2nc3c(F)cnc(Br)c3[nH]2)ccc1Br ZINC000586975948 IJ Annotated Anodyne COc1cc(/C=C\c2nc3c(F)cnc(Br)c3[nH]2)ccc1Br ZINC000586975952 IJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(COc3ccc(Cl)cc3Br)nc1-2 ZINC000586976104 IJ Annotated Anodyne Cc1cc(Cc2nc3cccc(I)c3[nH]2)ccc1Br ZINC000586976326 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC)c(OC)cc3[nH]2)cc(Br)c1OC ZINC000586976508 IJ Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC)c(OC)cc3[nH]2)cc(Br)c1OC ZINC000586976511 IJ Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1OC ZINC000586976561 IJ Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1OC ZINC000586976564 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCO4)cc(Br)c1OC ZINC000586976838 IJ Annotated Anodyne CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCO4)cc(Br)c1OC ZINC000586976843 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC)cc(OC)c3[nH]2)cc(Br)c1OC ZINC000586976851 IJ Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC)cc(OC)c3[nH]2)cc(Br)c1OC ZINC000586976853 IJ Annotated Anodyne CCc1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 ZINC000586976915 IJ Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc12 ZINC000586976952 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(Br)c(C)c3)nc2c1 ZINC000586977089 IJ Annotated Anodyne COc1cc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Br ZINC000586977128 IJ Annotated Anodyne COc1cc(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Br ZINC000586977129 IJ Annotated Anodyne CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(Br)c1OC ZINC000586977337 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(Br)c1OC ZINC000586977338 IJ Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(C(=O)OC)c3[nH]2)cc(Br)c1OC ZINC000586977356 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(C(=O)OC)c3[nH]2)cc(Br)c1OC ZINC000586977357 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(Br)c1OC ZINC000586977413 IJ Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(Br)c1OC ZINC000586977416 IJ Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2c1 ZINC000586977430 IJ Annotated Anodyne Cc1cc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Br ZINC000586977498 IJ Annotated Bother CCOc1cc(/C=C\c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(Br)c1OC ZINC000586977704 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(Br)c1OC ZINC000586977705 IJ Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(Br)c1OC ZINC000586977708 IJ Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(Br)c1OC ZINC000586977710 IJ Annotated Anodyne Cc1cc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Br ZINC000586977785 IJ Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(Br)c1OC ZINC000586978049 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(Br)c1OC ZINC000586978051 IJ Annotated Anodyne Cc1cc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Br ZINC000586978122 IJ Annotated Bother Cc1cc(Cc2nc3ccc(I)cc3[nH]2)ccc1Br ZINC000586978132 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(Br)c1OC ZINC000586978157 IJ Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(Br)c1OC ZINC000586978159 IJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586978268 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 ZINC000586978276 IJ Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1C ZINC000586978335 IJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000586978346 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Cl)nc(C#N)c3[nH]2)cc(Br)c1OC ZINC000586978347 IJ Annotated Mild CCOc1cc(/C=C/c2nc3cc(Cl)nc(C#N)c3[nH]2)cc(Br)c1OC ZINC000586978348 IJ Annotated Mild CCOc1cc(/C=C/c2nc3ccc(C(=O)OC)cc3[nH]2)cc(Br)c1OC ZINC000586978355 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(C(=O)OC)cc3[nH]2)cc(Br)c1OC ZINC000586978356 IJ Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc(Cl)c2[nH]1 ZINC000586978401 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(Br)c1OC ZINC000586978408 IJ Annotated Anodyne CCOc1cc(/C=C/c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(Br)c1OC ZINC000586978409 IJ Annotated Anodyne CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(Br)c1OC ZINC000586978511 IJ Annotated Bother CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(Br)c1OC ZINC000586978512 IJ Annotated Bother Cc1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1C ZINC000586978556 IJ Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2cncnc2[nH]1 ZINC000586978738 IJ Annotated Mild CCCOc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1Br ZINC000586978779 IJ Annotated Anodyne Cc1nn(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(C)c1Br ZINC000586978849 IJ Annotated Anodyne Clc1nccc(-c2nc3cccc(I)c3[nH]2)c1Br ZINC000586978880 IJ Annotated Anodyne Cc1ncc(-c2nc3ccc(I)cc3[nH]2)c(C)c1Br ZINC000586978956 IJ Annotated Anodyne CCCOc1cc2nc(-c3[nH]nc(OCC)c3Br)[nH]c2cc1Br ZINC000586978970 IJ Annotated Anodyne Cc1ncc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C)c1Br ZINC000586979045 IJ Annotated Bother Clc1nccc(-c2nc3ccc(I)cc3[nH]2)c1Br ZINC000586979072 IJ Annotated Anodyne Oc1ncnc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc12 ZINC000586979146 IJ Annotated Mild Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2ncc[nH]c-2n1 ZINC000586979192 IJ Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3cnc(C)c(Br)c3C)nc2c1 ZINC000586979195 IJ Annotated Anodyne Oc1nncc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586979204 IJ Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccnc(Cl)c3Br)[nH]c21 ZINC000586979251 IJ Annotated Clean Cc1ncc(-c2nc3cccc(I)c3[nH]2)c(C)c1Br ZINC000586979259 IJ Annotated Anodyne Cc1ncc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)c1Br ZINC000586979323 IJ Annotated Bother Nc1nccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586979407 IJ Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 ZINC000586979444 IJ Annotated Anodyne Cc1c(-c2nc3ccc(Br)c(O)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979518 IJ Annotated Bother Cc1c(-c2nc3c(C)c(Br)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979671 IJ Annotated Bother Cc1ncc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)c1Br ZINC000586979674 IJ Annotated Clean COc1cc(Br)cc(C=O)c1OCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586979740 IJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1Br ZINC000586979913 IJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccnc(Cl)c3Br)[nH]c12 ZINC000586979919 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 ZINC000586979921 IJ Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000586979963 IJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1Br ZINC000586979969 IJ Annotated Anodyne Cc1c(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980009 IJ Annotated Mild Cc1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(Br)cc1[N+](=O)[O-] ZINC000586980046 IJ Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586980141 IJ Annotated Anodyne Cc1c(-c2nc3c(F)cnc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980166 IJ Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586980206 IJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586980359 IJ Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586980370 IJ Annotated Anodyne Cc1nc2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2cc1Br ZINC000586980426 IJ Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586980462 IJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586980476 IJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(Br)ccc3Cl)nc-2[nH]1 ZINC000586980536 IJ Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000586980649 IJ Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586981034 IJ Annotated Bother Cc1cc(Br)ccc1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586981136 IJ Annotated Bother Cc1cc(Br)ccc1OCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586981138 IJ Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586981233 IJ Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(I)cc2[nH]1 ZINC000586981602 IJ Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cccc(I)c2[nH]1 ZINC000586981671 IJ Annotated Anodyne COC(=O)c1cc2nc(-c3cccn3-c3ccc(Br)cc3C)[nH]c2cc1OC ZINC000586981682 IJ Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586981699 IJ Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586981713 IJ Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586981774 IJ Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586981776 IJ Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586981827 IJ Annotated Clean Cc1cc(Br)ccc1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586981983 IJ Annotated Bother COC(=O)c1ccc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2c1OC ZINC000586982061 IJ Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586982125 IJ Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000586982342 IJ Annotated Clean CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586982441 IJ Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586983606 IJ Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586983607 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586983668 IJ Annotated Anodyne Cc1nn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1Br ZINC000586983762 IJ Annotated Anodyne FC1(F)Oc2cc3nc([C@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3cc2O1 ZINC000586983913 IJ Annotated Anodyne FC1(F)Oc2cc3nc([C@@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3cc2O1 ZINC000586983914 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586983958 IJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586983959 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586983997 IJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586983999 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586984069 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586984090 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586984091 IJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586984094 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586984110 IJ Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586984246 IJ Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586984247 IJ Annotated Anodyne Nc1cc(Br)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1O ZINC000586984296 IJ Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586984462 IJ Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586984466 IJ Annotated Anodyne Brc1ccc([C@@H](c2nc3ccc(Br)nc3[nH]2)N2CCCC2)cc1 ZINC000586984472 IJ Annotated Anodyne Brc1ccc([C@H](c2nc3ccc(Br)nc3[nH]2)N2CCCC2)cc1 ZINC000586984479 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984511 IJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984513 IJ Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586984516 IJ Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586984517 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586984612 IJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586984613 IJ Annotated Anodyne Brc1ccc([C@@H](c2nc3ccnc(Br)c3[nH]2)N2CCCC2)cc1 ZINC000586984614 IJ Annotated Anodyne Brc1ccc([C@H](c2nc3ccnc(Br)c3[nH]2)N2CCCC2)cc1 ZINC000586984615 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984621 IJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984623 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586984706 IJ Annotated Anodyne O=C(O)Cc1c(-c2cc(Cl)ccc2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586984778 IJ Annotated Anodyne COC(=O)c1cc(Br)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[nH]1 ZINC000586984887 IJ Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586985114 IJ Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586985115 IJ Annotated Anodyne Brc1ccc([C@@H](c2nc3cc4c(cc3[nH]2)OCCCO4)N2CCCC2)cc1 ZINC000586985200 IJ Annotated Anodyne Brc1ccc([C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)N2CCCC2)cc1 ZINC000586985201 IJ Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985203 IJ Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985205 IJ Annotated Anodyne Brc1ccc([C@@H](c2nc3c(Br)ccnc3[nH]2)N2CCCC2)cc1 ZINC000586985219 IJ Annotated Anodyne Brc1ccc([C@H](c2nc3c(Br)ccnc3[nH]2)N2CCCC2)cc1 ZINC000586985221 IJ Annotated Anodyne Fc1cc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1-n1cccn1 ZINC000586985236 IJ Annotated Anodyne Fc1cc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1-n1cccn1 ZINC000586985237 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586985238 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586985246 IJ Annotated Anodyne FC(F)(F)c1cnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586985256 IJ Annotated Anodyne FC(F)(F)c1cnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586985260 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000586985267 IJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)c(F)c3)nc3ccc(O)c1c23 ZINC000586985452 IJ Annotated Anodyne Brc1ccc([C@@H](c2nc3cc(Br)cnc3[nH]2)N2CCCC2)cc1 ZINC000586985532 IJ Annotated Anodyne Brc1ccc([C@H](c2nc3cc(Br)cnc3[nH]2)N2CCCC2)cc1 ZINC000586985533 IJ Annotated Anodyne Cc1nc(O)c(Br)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985640 IJ Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985897 IJ Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985900 IJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(S(=O)(=O)C(F)F)cc3)nc3ccc(O)c1c23 ZINC000586985993 IJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586986020 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586986021 IJ Annotated Anodyne O=C(O)CCc1c(-c2ccc(Cl)cn2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986190 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@](F)(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586986280 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@](F)(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586986283 IJ Annotated Anodyne FC(F)(F)c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cn1 ZINC000586986375 IJ Annotated Anodyne FC(F)(F)c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cn1 ZINC000586986378 IJ Annotated Anodyne Brc1ccc([C@@H](c2nc3cc(Br)ncc3[nH]2)N2CCCC2)cc1 ZINC000586986455 IJ Annotated Anodyne Brc1ccc([C@H](c2nc3cc(Br)ncc3[nH]2)N2CCCC2)cc1 ZINC000586986457 IJ Annotated Anodyne COc1ccc(-c2nc3ccc(O)c4c3c(c2CCC(=O)O)-c2ccccc2C4=O)cc1F ZINC000586986462 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986503 IJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986505 IJ Annotated Anodyne COc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1F ZINC000586986608 IJ Annotated Anodyne COC(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 ZINC000586986622 IJ Annotated Bother Brc1ccc([C@@H](c2nc3cncc(Br)c3[nH]2)N2CCCC2)cc1 ZINC000586986643 IJ Annotated Anodyne Brc1ccc([C@H](c2nc3cncc(Br)c3[nH]2)N2CCCC2)cc1 ZINC000586986644 IJ Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586986680 IJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586986683 IJ Annotated Anodyne O=C(CCl)N[C@@H](Cc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986804 IJ Annotated Reactive O=C(CCl)N[C@H](Cc1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986805 IJ Annotated Reactive CCOC(=O)Cn1c(C)cc2c1CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987006 IJ Annotated Anodyne Cc1oc2nc(Br)nn2c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987071 IJ Annotated Anodyne CCOC(=O)C(F)(F)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1C ZINC000586987136 IJ Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2ccc([N+](=O)[O-])cc2)C1)-c1ccccc1C4=O ZINC000586987144 IJ Annotated Bother COc1ccccc1NC(=O)[C@H](N=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987147 IJ Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2ccc([N+](=O)[O-])cc2)C1)-c1ccccc1C4=O ZINC000586987148 IJ Annotated Bother COc1ccccc1NC(=O)[C@@H](N=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987149 IJ Annotated Anodyne COc1ccc(NN=C(C(C)=O)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586987178 IJ Annotated Mild O=C1c2ccccc2-c2cc(CC(O)(C(F)(F)F)C(F)(F)F)nc3ccc(O)c1c23 ZINC000586987306 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CN(C(=O)OCc1ccccc1)CC3 ZINC000586987401 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCN(C(=O)Oc1ccccc1)CC3 ZINC000586987459 IJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(F)cccc3N3CCOCC3)nc3ccc(O)c1c23 ZINC000586987541 IJ Annotated Anodyne Cn1cc(C(=O)Oc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cn1 ZINC000586987636 IJ Annotated Anodyne O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NC1C2CC3CC(C2)CC1C3 ZINC000586987708 IJ Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1CCCN1C(=O)c2ccccc2C1=O)-c1ccccc1C3=O ZINC000586987736 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]21 ZINC000586987799 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]21 ZINC000586987800 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]21 ZINC000586987801 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]21 ZINC000586987802 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586987823 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)[C@@H]2C1 ZINC000586987824 IJ Annotated Anodyne COc1cc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])cc1OC ZINC000586987832 IJ Annotated Bother COCCc1c([C@H](C)NC(=O)OC(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987864 IJ Annotated Anodyne COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987865 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]2C1 ZINC000586987921 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3C[C@H]2C1)-c1ccccc1C5=O ZINC000586987922 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4ccc(O)c5c4c(c3C[C@@H]2C1)-c1ccccc1C5=O ZINC000586987924 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4ccc(O)c5c4c(c3C[C@H]2C1)-c1ccccc1C5=O ZINC000586987926 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987982 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000586988008 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O ZINC000586988009 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O ZINC000586988010 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2c3nc4ccc(O)c5c4c(c3[C@H]2C1)-c1ccccc1C5=O ZINC000586988011 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]2c3nc4ccc(O)c5c4c(c3[C@H]2C1)-c1ccccc1C5=O ZINC000586988012 IJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(O)c3c2c(c1CCCO)-c1ccccc1C3=O ZINC000586988041 IJ Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])cc1OC ZINC000586988101 IJ Annotated Bother O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]1CN(Cc2ccccc2)C[C@H]1C3 ZINC000586988193 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]1CN(Cc2ccccc2)C[C@@H]1C3 ZINC000586988195 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C3 ZINC000586988197 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C3 ZINC000586988199 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Cc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)C1 ZINC000586988214 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Cc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)C1 ZINC000586988216 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)c1 ZINC000586988342 IJ Annotated Anodyne COC(=O)c1ccnc([C@H]2CCCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)c1 ZINC000586988343 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC1 ZINC000586988351 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O ZINC000586988432 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]2C1 ZINC000586988485 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4ccc(O)c5c4c(c3[C@H]2C1)-c1ccccc1C5=O ZINC000586988486 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O ZINC000586988487 IJ Annotated Anodyne CC(C)(C)OC(=O)N=c1cc[nH]cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988524 IJ Annotated Anodyne Cc1c(-c2ccccc2OCC(=O)N(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988610 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]2C1)-c1ccccc1C5=O ZINC000586988617 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H]2c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988634 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@H]2c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988635 IJ Annotated Anodyne O=C1c2ccccc2-c2cc(CCCCN3C(=O)c4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586988642 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cnc(-c2cccnc2)nc1CC3 ZINC000586988653 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Cc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000586988709 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Cc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)C1 ZINC000586988710 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C(I)=CCC3 ZINC000586988749 IJ Annotated Anodyne O=C(O)CCC(=O)Nc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988776 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]2C1 ZINC000586988842 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]2C1 ZINC000586988843 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]2C1 ZINC000586988844 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2c3nc4ccc(O)c5c4c(c3C[C@H]2C1)-c1ccccc1C5=O ZINC000586988845 IJ Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586989115 IJ Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586989116 IJ Annotated Anodyne CN(C)c1ccc([C@@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1 ZINC000586989119 IJ Annotated Anodyne CN(C)c1ccc([C@H]2CC(=O)Cc3nc4ccc(O)c5c4c(c32)-c2ccccc2C5=O)cc1 ZINC000586989120 IJ Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O ZINC000586989131 IJ Annotated Unstable CCOC(=O)COc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989242 IJ Annotated Anodyne COCCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC ZINC000586989261 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(Nc2ccccc2)n[nH]c1CC3 ZINC000586989446 IJ Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3nc(-c4ccc5c(c4)OCO5)no3)nc3ccc(O)c1c23 ZINC000586989622 IJ Annotated Anodyne C[C@H](Oc1ccc(CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)O ZINC000586989687 IJ Annotated Anodyne C[C@@H](Oc1ccc(CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)O ZINC000586989688 IJ Annotated Anodyne CCOC(=O)COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586989698 IJ Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2ccc3c(c2)OCO3)C1)-c1ccccc1C4=O ZINC000586990069 IJ Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2ccc3c(c2)OCO3)C1)-c1ccccc1C4=O ZINC000586990075 IJ Annotated Anodyne O=C(O)CCC(=O)Cc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990108 IJ Annotated Anodyne COc1cccc(OC(=O)Cc2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)c1 ZINC000586990114 IJ Annotated Anodyne CCOC(=O)c1oc2c(c1C)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O ZINC000586990455 IJ Annotated Anodyne CCOC(=O)Cc1c(-c2cccc(C=O)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990459 IJ Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OCCC(=O)O ZINC000586990507 IJ Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1Cc1ccc(O[C@@H](C)C(=O)O)cc1)-c1ccccc1C3=O ZINC000586990537 IJ Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1Cc1ccc(O[C@H](C)C(=O)O)cc1)-c1ccccc1C3=O ZINC000586990541 IJ Annotated Anodyne COc1cc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)ccc1OCC(=O)O ZINC000586990553 IJ Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1Cc1ccc(OCCC(=O)O)cc1)-c1ccccc1C3=O ZINC000586990572 IJ Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OC[C@@H]1CO1 ZINC000586990936 IJ Annotated Anodyne COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OC[C@H]1CO1 ZINC000586990938 IJ Annotated Anodyne Cc1cc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc(C)c1O ZINC000586991089 IJ Annotated Anodyne COc1cc(OC)c(OC)cc1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991213 IJ Annotated Anodyne COc1ccc(C)cc1-c1nc2ccc(O)c3c2c(c1CC(=O)O)-c1ccccc1C3=O ZINC000586991395 IJ Annotated Anodyne O=C(O)CCc1nc2ccc(O)c3c2c(c1CC(=O)c1ccccc1)-c1ccccc1C3=O ZINC000586991679 IJ Annotated Anodyne O=C(O)Cc1c(CCC(=O)c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991800 IJ Annotated Anodyne CC1(C)COC2(C[C@@H]3c4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)C[C@@H]3C2)OC1 ZINC000586991853 IJ Annotated Anodyne CC1(C)COC2(C[C@H]3Cc4nc5ccc(O)c6c5c(c4[C@@H]3C2)-c2ccccc2C6=O)OC1 ZINC000586991859 IJ Annotated Anodyne CC1(C)COC2(C[C@@H]3Cc4nc5ccc(O)c6c5c(c4[C@@H]3C2)-c2ccccc2C6=O)OC1 ZINC000586991861 IJ Annotated Anodyne CC1(C)COC2(C[C@@H]3Cc4nc5ccc(O)c6c5c(c4[C@H]3C2)-c2ccccc2C6=O)OC1 ZINC000586991862 IJ Annotated Anodyne COC(=O)CCc1c(-c2ccc(OC)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991935 IJ Annotated Anodyne COC(=O)[C@]1(c2ccccc2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586991980 IJ Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586991982 IJ Annotated Anodyne CCc1ccc(O)c(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 ZINC000586992292 IJ Annotated Anodyne COc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(C)c1 ZINC000586992582 IJ Annotated Anodyne Cc1cc(C)c(O)c(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 ZINC000586992796 IJ Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992952 IJ Annotated Anodyne CCS(=O)(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586992985 IJ Annotated Anodyne COc1cc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc(OC)c1OC ZINC000586993242 IJ Annotated Anodyne CCOc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 ZINC000586993265 IJ Annotated Anodyne CC(=O)Nc1sc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1C(=O)O ZINC000586993344 IJ Annotated Clean CC1=C(CCCl)C(=O)N2CCc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@@H]2N1 ZINC000586993466 IJ Annotated Reactive CC1=C(CCCl)C(=O)N2CCc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@H]2N1 ZINC000586993471 IJ Annotated Reactive COc1cc2c(c(OC)c1OC)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O ZINC000586993531 IJ Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586993698 IJ Annotated Anodyne O=C1c2ccccc2-c2cc(CS(=O)(=O)c3ccc(Cl)cc3)nc3ccc(O)c1c23 ZINC000586993868 IJ Annotated Anodyne CCCNS(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586993927 IJ Annotated Anodyne O=C(O)CCc1nc2ccc(O)c3c2c(c1CC(=O)c1cccs1)-c1ccccc1C3=O ZINC000586993973 IJ Annotated Anodyne O=C(O)Cc1c(CCC(=O)c2cccs2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994203 IJ Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994438 IJ Annotated Anodyne Cc1nc(NC[C@H]2CCCO2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994439 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(S(=O)(=O)Cl)ccc1CC3 ZINC000586994472 IJ Annotated Unstable O=C1c2ccccc2-c2cc(-c3cc(CN4CCOCC4)cs3)nc3ccc(O)c1c23 ZINC000586994582 IJ Annotated Anodyne CCOC(=O)c1c(N)sc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C ZINC000586994608 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(S(=O)(=O)Cl)ccc1C3 ZINC000586994620 IJ Annotated Unstable Cc1ccc2c3c(c4c(nc13)C=C(OS(=O)(=O)C(F)(F)F)CC4)-c1ccccc1C2=O ZINC000586994738 IJ Annotated Unstable O=C1c2ccccc2C(=O)c2c1ccc1nc(CCNc3ccc(Br)cc3)[nH]c21 ZINC000586994826 IJ Annotated Clean O=[N+]([O-])c1cc(Br)cc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586994925 IJ Annotated Bother Cc1ccnc2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000586995305 IJ Annotated Anodyne Clc1c(Br)cnc2[nH]c(CCNc3ccc(Br)cc3)nc12 ZINC000586995309 IJ Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586995364 IJ Annotated Anodyne COc1ccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(OC)c1 ZINC000586995491 IJ Annotated Anodyne Brc1ccc(NCCc2nc3cccc(I)c3[nH]2)cc1 ZINC000586995663 IJ Annotated Anodyne Brc1ccc(NCCc2nc3ccc(I)cc3[nH]2)cc1 ZINC000586995726 IJ Annotated Anodyne Clc1ncc(Br)c2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586995798 IJ Annotated Anodyne Cc1nccc2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000586995799 IJ Annotated Anodyne Cc1cnc2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000586995862 IJ Annotated Anodyne Cc1ccc2c3c(c(CCC=O)c(CNC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586995932 IJ Annotated Mild Cc1ccc2c3c(c(CC(=O)[C@H](C)NC(=O)OC(C)(C)C)cnc13)-c1ccccc1C2=O ZINC000586996097 IJ Annotated Anodyne N[C@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586996192 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586996222 IJ Annotated Bother Cc1cncc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000586996344 IJ Annotated Anodyne Cc1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000586996373 IJ Annotated Anodyne COc1ccc(OC)c(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 ZINC000586996553 IJ Annotated Anodyne CC(=O)Nc1ccc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000586996835 IJ Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)CNC(=O)OC(C)(C)C)cnc13)-c1ccccc1C2=O ZINC000586996867 IJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 ZINC000586996989 IJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 ZINC000586996996 IJ Annotated Anodyne N[C@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 ZINC000586997367 IJ Annotated Anodyne Fc1cc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2cc1-n1cccn1 ZINC000586997441 IJ Annotated Anodyne Fc1cc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2cc1-n1cccn1 ZINC000586997452 IJ Annotated Anodyne CCCOc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586997693 IJ Annotated Anodyne CC(C)Oc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586998020 IJ Annotated Anodyne N[C@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(Br)cc1 ZINC000586998135 IJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(F)c(F)c(F)cc4[nH]3)cc2cc1Br ZINC000586998164 IJ Annotated Anodyne N[C@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(Br)cc1 ZINC000586998173 IJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Cl)ncc(C)c4[nH]3)cc2cc1Br ZINC000586998246 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998400 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586998402 IJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2cc1Br ZINC000586998571 IJ Annotated Bother Brc1ccc(-c2ccc(/C=C/c3nc4ccc(-n5cnnn5)cc4[nH]3)o2)cc1 ZINC000586998773 IJ Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4ccc(-n5cnnn5)cc4[nH]3)o2)cc1 ZINC000586998774 IJ Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c1 ZINC000586998778 IJ Annotated Bother Oc1c(Br)ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998791 IJ Annotated Anodyne Oc1c(Br)ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998792 IJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 ZINC000586998793 IJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 ZINC000586998794 IJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/c3cc4c(cc3Br)OCO4)nc1-2 ZINC000586998872 IJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\c3cc4c(cc3Br)OCO4)nc1-2 ZINC000586998873 IJ Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2n1 ZINC000586998892 IJ Annotated Anodyne Sc1nc(S)c2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2n1 ZINC000586998923 IJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586999015 IJ Annotated Mild N#Cc1cc(Br)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586999016 IJ Annotated Mild CCOc1cc2oc(=O)c(-c3nc4c(Cl)ncc(F)c4[nH]3)cc2cc1Br ZINC000586999021 IJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(OC)c(OC)cc4[nH]3)cc2cc1Br ZINC000586999027 IJ Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cn1 ZINC000586999105 IJ Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 ZINC000586999154 IJ Annotated Bother CCOc1cc2oc(=O)c(-c3nc4cc(C)c(OC)cc4[nH]3)cc2cc1Br ZINC000586999195 IJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(OC)cc(OC)cc4[nH]3)cc2cc1Br ZINC000586999207 IJ Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586999311 IJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(F)c(OC)cc4[nH]3)cc2cc1Br ZINC000586999357 IJ Annotated Anodyne Cc1nc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2cc1Br ZINC000586999380 IJ Annotated Anodyne Cc1nc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2cc1Br ZINC000586999381 IJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(F)c(F)c(Cl)cc2[nH]1 ZINC000586999535 IJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC000586999537 IJ Annotated Anodyne N#Cc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1C#N ZINC000586999556 IJ Annotated Mild COC(=O)c1cccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000586999596 IJ Annotated Anodyne FC(F)(F)c1ncc2nc(-c3cc(Br)cnc3NCc3ccccc3)nc-2[nH]1 ZINC000586999650 IJ Annotated Anodyne O=[N+]([O-])c1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1[N+](=O)[O-] ZINC000586999760 IJ Annotated Bother O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC000586999853 IJ Annotated Anodyne CCCOc1cc2nc(Cc3nn(CC)cc3Br)[nH]c2cc1Br ZINC000586999855 IJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 ZINC000586999926 IJ Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000586999985 IJ Annotated Anodyne O=C(O)c1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1F ZINC000586999986 IJ Annotated Anodyne Oc1nc2cc3nc(-c4cc(Br)cnc4NCc4ccccc4)[nH]c3cc2[nH]1 ZINC000587000022 IJ Annotated Anodyne FC1(F)Oc2cc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3cc2O1 ZINC000587000060 IJ Annotated Anodyne FC1(F)Oc2cc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3cc2O1 ZINC000587000061 IJ Annotated Anodyne Clc1cnc(Cl)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000587000083 IJ Annotated Anodyne Clc1cnc(Cl)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000587000085 IJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2nc(Cl)c(Cl)cc2[nH]1 ZINC000587000167 IJ Annotated Anodyne Fc1cc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2cc1-n1cccn1 ZINC000587000187 IJ Annotated Anodyne Fc1cc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2cc1-n1cccn1 ZINC000587000189 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587000418 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000464 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000465 IJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc12 ZINC000587000502 IJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(OC(F)(F)F)cccc2[nH]1 ZINC000587000540 IJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(C(F)(F)F)cccc2[nH]1 ZINC000587000664 IJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000587000748 IJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(Br)ccc2[nH]1 ZINC000587000758 IJ Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(C)c([N+](=O)[O-])cc4[nH]3)cc2cc1Br ZINC000587000781 IJ Annotated Bother N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587000887 IJ Annotated Anodyne Cc1cc(Br)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587000995 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587001016 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587001027 IJ Annotated Anodyne CC(C)(C)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587001060 IJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Cl)ncc(Cl)c2[nH]1 ZINC000587001108 IJ Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 ZINC000587001120 IJ Annotated Anodyne Clc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2nc1Cl ZINC000587001138 IJ Annotated Anodyne Clc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2nc1Cl ZINC000587001139 IJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)cccc2[nH]1 ZINC000587001145 IJ Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000587001196 IJ Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000587001197 IJ Annotated Anodyne O=C1CCc2cc3nc(-c4cc(Br)cnc4NCc4ccccc4)[nH]c3cc2N1 ZINC000587001220 IJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncc(Cl)c(Cl)c2[nH]1 ZINC000587001308 IJ Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587001347 IJ Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Cl)nc(Cl)cc2[nH]1 ZINC000587001358 IJ Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1OC ZINC000587001568 IJ Annotated Anodyne FC(F)(F)c1cnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587001579 IJ Annotated Anodyne FC(F)(F)c1cnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587001582 IJ Annotated Anodyne Fc1cc(Br)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587001594 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587001683 IJ Annotated Anodyne Clc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c(Cl)n1 ZINC000587001752 IJ Annotated Anodyne Clc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c(Cl)n1 ZINC000587001753 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587001791 IJ Annotated Bother Fc1cc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2cc1Br ZINC000587001796 IJ Annotated Anodyne O=C1C[C@@H](Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587001929 IJ Annotated Anodyne O=C1C[C@H](Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587001930 IJ Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cn1 ZINC000587001953 IJ Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587001967 IJ Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587001968 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587001971 IJ Annotated Bother FC(F)(F)c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cn1 ZINC000587002007 IJ Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cn1 ZINC000587002008 IJ Annotated Anodyne CC(C)(C)c1cccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587002041 IJ Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)n1 ZINC000587002067 IJ Annotated Anodyne O=C1C[C@@H](Cc2nc3cccc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002107 IJ Annotated Anodyne O=C1C[C@H](Cc2nc3cccc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002108 IJ Annotated Anodyne Cc1c(Br)ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002275 IJ Annotated Anodyne Cc1nc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2cc1Br ZINC000587002297 IJ Annotated Anodyne O=C1C[C@@H](Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002384 IJ Annotated Anodyne O=C1C[C@H](Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002386 IJ Annotated Anodyne Fc1c(Br)ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002389 IJ Annotated Anodyne O=C1C[C@@H](Cc2nc3cccc(C(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002486 IJ Annotated Anodyne O=C1C[C@H](Cc2nc3cccc(C(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002487 IJ Annotated Anodyne CCCn1cnc2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc(Br)c21 ZINC000587002494 IJ Annotated Anodyne Fc1c(F)c(F)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1F ZINC000587002513 IJ Annotated Anodyne Fc1c(F)c(F)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1F ZINC000587002514 IJ Annotated Anodyne Brc1c[nH]c2nc(COc3ccc4ccccc4c3Br)nc-2n1 ZINC000587002524 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587002665 IJ Annotated Anodyne Clc1cnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1Cl ZINC000587002694 IJ Annotated Anodyne Clc1cnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1Cl ZINC000587002695 IJ Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc(Br)c5cc(C)oc45)[nH]c3c2)NNC(=O)C1 ZINC000587002699 IJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587002747 IJ Annotated Mild Fc1cc(Br)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587002789 IJ Annotated Anodyne Nc1ccc(-c2ccc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3c2)cc1N ZINC000587002792 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587002823 IJ Annotated Bother O=C1C[C@@H](Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002825 IJ Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002828 IJ Annotated Anodyne Fc1c(Br)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1F ZINC000587002839 IJ Annotated Anodyne O=C1C[C@@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002844 IJ Annotated Bother O=C1C[C@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002847 IJ Annotated Bother CCCn1cnc2cc(-c3nc4cc(Br)cnc4[nH]3)cc(Br)c21 ZINC000587002853 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc(Br)c2[nH]1 ZINC000587002893 IJ Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl ZINC000587002950 IJ Annotated Bother O=[N+]([O-])c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Cl ZINC000587002956 IJ Annotated Bother O=C1C[C@@H](Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002986 IJ Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002987 IJ Annotated Anodyne FC(F)(F)Oc1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587003176 IJ Annotated Anodyne N#Cc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1C(F)(F)F ZINC000587003212 IJ Annotated Mild Cc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587003282 IJ Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2o1 ZINC000587003430 IJ Annotated Anodyne CCCn1cnc2cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc(Br)c21 ZINC000587003465 IJ Annotated Bother Cc1cc(Br)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587003474 IJ Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(Br)nc4[nH]3)cc(Br)c21 ZINC000587003485 IJ Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Br)ncc4[nH]3)cc(Br)c21 ZINC000587003642 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(Br)cc2[nH]1 ZINC000587003660 IJ Annotated Anodyne CCCn1cnc2cc(-c3nc4ccnc(Br)c4[nH]3)cc(Br)c21 ZINC000587003690 IJ Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)cc(Br)c21 ZINC000587003729 IJ Annotated Anodyne Clc1c(Br)cnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 ZINC000587003732 IJ Annotated Anodyne O=C1C[C@@H](Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c2c(Br)cccc2O1 ZINC000587003823 IJ Annotated Anodyne O=C1C[C@H](Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c2c(Br)cccc2O1 ZINC000587003825 IJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccnc4[nH]cc(Br)c34)[nH]c21 ZINC000587003937 IJ Annotated Clean N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587003967 IJ Annotated Anodyne Fc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1Br ZINC000587003969 IJ Annotated Anodyne FC(F)(F)Oc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587004055 IJ Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(Br)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004084 IJ Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(Br)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004085 IJ Annotated Anodyne O=C1C[C@H](Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004313 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587004315 IJ Annotated Anodyne O=C1C[C@@H](Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004316 IJ Annotated Anodyne CCCn1cnc2cc(-c3nc4cncc(Br)c4[nH]3)cc(Br)c21 ZINC000587004326 IJ Annotated Anodyne CCCn1cnc2cc(-c3nc4c(Br)ccnc4[nH]3)cc(Br)c21 ZINC000587004452 IJ Annotated Anodyne N#Cc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1C(F)(F)F ZINC000587004472 IJ Annotated Mild O=C1C[C@@H](Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c2c(Br)cccc2O1 ZINC000587004519 IJ Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c2c(Br)cccc2O1 ZINC000587004520 IJ Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004585 IJ Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004587 IJ Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(C(=O)OC)c(OC)c4[nH]3)cc(Br)c21 ZINC000587004640 IJ Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(OC)c(C(=O)OC)cc4[nH]3)cc(Br)c21 ZINC000587004673 IJ Annotated Anodyne CCCn1cnc2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cc(Br)c21 ZINC000587004733 IJ Annotated Anodyne Clc1ncc(Br)c2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587004835 IJ Annotated Anodyne CC(C)n1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cc(Br)c1Br ZINC000587004922 IJ Annotated Anodyne CC(C)n1c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc(Br)c1Br ZINC000587004949 IJ Annotated Anodyne CC(C)n1c(-c2nc3cc(C#N)c(C#N)cc3[nH]2)cc(Br)c1Br ZINC000587004963 IJ Annotated Mild CC(C)n1c(-c2nc3cc(CCO)ccc3[nH]2)cc(Br)c1Br ZINC000587004976 IJ Annotated Anodyne CC(C)n1c(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)cc(Br)c1Br ZINC000587005032 IJ Annotated Anodyne CC(C)n1c(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)cc(Br)c1Br ZINC000587005033 IJ Annotated Anodyne CCCOc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Br ZINC000587005212 IJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3nc(Br)ccc3Cl)[nH]c12 ZINC000587005263 IJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3nc(Br)ccc3Cl)[nH]c21 ZINC000587005301 IJ Annotated Clean Clc1ccc(Br)nc1-c1nc2cccc(I)c2[nH]1 ZINC000587005306 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 ZINC000587005329 IJ Annotated Bother CC(C)n1c(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc(Br)c1Br ZINC000587005333 IJ Annotated Anodyne Clc1ccc(Br)nc1-c1nc2ccc(I)cc2[nH]1 ZINC000587005349 IJ Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Cl ZINC000587005375 IJ Annotated Anodyne Clc1c(-c2nc3ccc(I)cc3[nH]2)ccnc1Br ZINC000587005389 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 ZINC000587005393 IJ Annotated Bother CC(C)n1c(-c2nc3cc4c(cc3[nH]2)OCO4)cc(Br)c1Br ZINC000587005477 IJ Annotated Anodyne CC(C)n1c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc(Br)c1Br ZINC000587005498 IJ Annotated Anodyne CC(C)n1c(-c2nc3c(S)nc(S)nc3[nH]2)cc(Br)c1Br ZINC000587005519 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 ZINC000587005534 IJ Annotated Anodyne Clc1c(-c2nc3cccc(I)c3[nH]2)ccnc1Br ZINC000587005617 IJ Annotated Anodyne CC(C)Oc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Br ZINC000587005811 IJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccnc(Br)c3Cl)[nH]c12 ZINC000587005831 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 ZINC000587005899 IJ Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Cl ZINC000587006001 IJ Annotated Anodyne Brc1ccc2cc(-c3nc4cccc(I)c4[nH]3)cn2c1 ZINC000587006053 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006132 IJ Annotated Bother COc1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cc1Cl ZINC000587006161 IJ Annotated Anodyne O=c1c(-c2nc3cc(F)c(Cl)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006222 IJ Annotated Anodyne O=c1c(-c2nc3c(cnc4ccccc43)[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006228 IJ Annotated Anodyne Fc1c(Br)cc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1F ZINC000587006261 IJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccnc(Br)c3Cl)[nH]c21 ZINC000587006296 IJ Annotated Clean N#Cc1cc(Cl)c2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2c1 ZINC000587006372 IJ Annotated Mild O=c1c(-c2nc3c(ccc4ncccc43)[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006376 IJ Annotated Anodyne CC(C)(C)c1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2n1 ZINC000587006475 IJ Annotated Anodyne Fc1c(Br)cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1F ZINC000587006571 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587006585 IJ Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587006601 IJ Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c21 ZINC000587006626 IJ Annotated Clean Cc1cnc(Cl)c2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c12 ZINC000587006672 IJ Annotated Anodyne O=c1c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006694 IJ Annotated Anodyne O=c1c(-c2nc3c(F)cc(Cl)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006717 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006755 IJ Annotated Bother O=C(Nc1ccc(Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006761 IJ Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cn1 ZINC000587006856 IJ Annotated Anodyne Brc1ccc2cc(-c3nc4ccc(I)cc4[nH]3)cn2c1 ZINC000587006947 IJ Annotated Anodyne O=c1c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006971 IJ Annotated Anodyne Fc1c(Br)cc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1F ZINC000587007178 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 ZINC000587007307 IJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccnc(Cl)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007351 IJ Annotated Anodyne O=c1c(-c2nc3c(F)c(F)c(F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007502 IJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Cl)ccnc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007652 IJ Annotated Anodyne Cc1cc2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c(C)n1 ZINC000587007747 IJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007758 IJ Annotated Bother Clc1ncc(Br)c2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587007794 IJ Annotated Anodyne FC(F)(F)C(F)(F)c1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cn1 ZINC000587008424 IJ Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cn1 ZINC000587008476 IJ Annotated Anodyne C[C@H](Br)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587008692 IJ Annotated Reactive O=C(Nc1ccc(Cc2nc3c(F)cnc(Cl)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008840 IJ Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Cl)nc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008897 IJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](Cl)CCl)[nH]c2c1 ZINC000587009130 IJ Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1 ZINC000587009131 IJ Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c(-c3sc(Br)nc3C)nc2c1 ZINC000587010582 IJ Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587010985 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4sc(C5CC5)nc4C)[nH]c3c2)cc1 ZINC000587011040 IJ Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)s1 ZINC000587011112 IJ Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(I)cnc2[nH]1 ZINC000587011119 IJ Annotated Anodyne NS(=O)(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587011179 IJ Annotated Anodyne Cc1nc(C)c(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)s1 ZINC000587011355 IJ Annotated Anodyne Brc1nc(-c2nc3ccc(I)cc3[nH]2)c(C2CC2)s1 ZINC000587011624 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587011753 IJ Annotated Bother Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587011782 IJ Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587011821 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3sc(C4CC4)nc3C)[nH]c2c1 ZINC000587012749 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587012910 IJ Annotated Bother CCCc1sc(N)nc1-c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587012974 IJ Annotated Anodyne CCCc1sc(N)nc1-c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587013155 IJ Annotated Anodyne CCCc1sc(N)nc1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587013204 IJ Annotated Anodyne Brc1nc(-c2nc3cccc(I)c3[nH]2)c(C2CC2)s1 ZINC000587013282 IJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587013308 IJ Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(I)cnc4[nH]3)c(C)s2)cc1 ZINC000587013615 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Br)c(F)c3[nH]2)cs1 ZINC000587013813 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(F)c(Br)c3[nH]2)cs1 ZINC000587014030 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cs1 ZINC000587014075 IJ Annotated Bother CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)c(F)cc3[nH]2)cs1 ZINC000587014123 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cs1 ZINC000587014129 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(C(N)=O)c4[nH]3)cs2)cc1 ZINC000587014184 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cs1 ZINC000587014265 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cs1 ZINC000587014283 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cs1 ZINC000587014511 IJ Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3c(I)cnc(Cl)c3[nH]2)s1 ZINC000587014538 IJ Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3c(I)cnc(Cl)c3[nH]2)s1 ZINC000587014542 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(N)c(N)cc4[nH]3)cs2)cc1 ZINC000587014545 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(Br)cc(F)c3[nH]2)cs1 ZINC000587014565 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cs1 ZINC000587014580 IJ Annotated Bother CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(F)cc(Br)c3[nH]2)cs1 ZINC000587014661 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cs1 ZINC000587014776 IJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587015690 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587015704 IJ Annotated Bother CCc1ccc(-c2nc(-c3nc4cc(I)cnc4[nH]3)cs2)cc1 ZINC000587015765 IJ Annotated Anodyne CCc1ccc(-c2nc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cs2)cc1 ZINC000587016015 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587016401 IJ Annotated Bother Cc1ccc(-c2nc(-c3nc4c(I)cnc(Cl)c4[nH]3)cs2)o1 ZINC000587016447 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 ZINC000587016586 IJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587016637 IJ Annotated Anodyne Ic1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587016689 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 ZINC000587016725 IJ Annotated Anodyne Brc1cnc(Br)c2[nH]c(Cc3csc(-c4ccco4)n3)nc12 ZINC000587016883 IJ Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587016887 IJ Annotated Anodyne N#Cc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1C#N ZINC000587017094 IJ Annotated Mild FC(F)(F)c1ncc2nc(Cc3csc(-c4ccc(Br)s4)n3)nc-2[nH]1 ZINC000587017182 IJ Annotated Anodyne Clc1ncc(I)c2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587017201 IJ Annotated Anodyne COC(=O)c1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587017314 IJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587017337 IJ Annotated Anodyne Ic1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587017339 IJ Annotated Anodyne O=C(O)c1cc(F)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587017453 IJ Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587017474 IJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc12 ZINC000587017605 IJ Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587017838 IJ Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587017840 IJ Annotated Anodyne O=C(O)c1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1F ZINC000587017898 IJ Annotated Anodyne Oc1c(Br)ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 ZINC000587018047 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 ZINC000587018228 IJ Annotated Anodyne Fc1cc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2cc1-n1cccn1 ZINC000587018309 IJ Annotated Anodyne N#Cc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1C(F)(F)F ZINC000587018435 IJ Annotated Mild FC(F)(F)Oc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587018460 IJ Annotated Anodyne Brc1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018602 IJ Annotated Anodyne Fc1c(Br)ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018621 IJ Annotated Anodyne Oc1c(Br)ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018712 IJ Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587018769 IJ Annotated Mild CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Br)c(F)c3[nH]2)cs1 ZINC000587018870 IJ Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587018913 IJ Annotated Reactive Cc1c(Br)ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 ZINC000587018960 IJ Annotated Anodyne Oc1nc2cc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c3cc2[nH]1 ZINC000587019014 IJ Annotated Anodyne Fc1cc(Br)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 ZINC000587019060 IJ Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc2c1 ZINC000587019064 IJ Annotated Anodyne Cc1cc(Br)cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 ZINC000587019078 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(C#N)cc(Br)c3[nH]2)cs1 ZINC000587019093 IJ Annotated Mild Cc1c(Br)cnc2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc12 ZINC000587019096 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cs1 ZINC000587019103 IJ Annotated Anodyne Cc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1Br ZINC000587019168 IJ Annotated Anodyne O=C1CCc2cc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c3cc2N1 ZINC000587019186 IJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2c1 ZINC000587019188 IJ Annotated Mild CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Br)cc(F)c3[nH]2)cs1 ZINC000587019254 IJ Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Cl ZINC000587019283 IJ Annotated Bother FC(F)(F)Oc1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587019286 IJ Annotated Anodyne Fc1cc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2cc1Br ZINC000587019297 IJ Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2c1 ZINC000587019301 IJ Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4cc5c(cc4[nH]3)OCCO5)cs2)s1 ZINC000587019303 IJ Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(F)c(Br)c3[nH]2)cs1)c1cccs1 ZINC000587019325 IJ Annotated Anodyne Fc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1Br ZINC000587019383 IJ Annotated Anodyne Fc1cc(Br)cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587019392 IJ Annotated Anodyne Cc1nc2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc2cc1Br ZINC000587019430 IJ Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(Br)c(O)c3[nH]2)cs1 ZINC000587019449 IJ Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(F)cnc(Br)c3[nH]2)cs1 ZINC000587019457 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Br)c(F)cc3[nH]2)cs1 ZINC000587019477 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cs1 ZINC000587019488 IJ Annotated Anodyne Cc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1Br ZINC000587019571 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc2c1 ZINC000587019588 IJ Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)cc(F)c3[nH]2)cs1)c1cccs1 ZINC000587019617 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cs1 ZINC000587019686 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(F)cc(Br)c3[nH]2)cs1 ZINC000587019795 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(F)c(Br)c3[nH]2)cs1 ZINC000587019864 IJ Annotated Anodyne Cc1cc(Br)cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 ZINC000587019871 IJ Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cs1 ZINC000587019887 IJ Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(Br)c(F)c3[nH]2)cs1)c1cccs1 ZINC000587019908 IJ Annotated Anodyne N#Cc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1C(F)(F)F ZINC000587019913 IJ Annotated Mild Nc1ccc(-c2ccc3nc(Cc4csc(NC(=O)c5cccs5)n4)[nH]c3c2)cc1N ZINC000587019924 IJ Annotated Anodyne Cc1c(Br)ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 ZINC000587019940 IJ Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(F)cc(Br)c3[nH]2)cs1)c1cccs1 ZINC000587020159 IJ Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)c(F)cc3[nH]2)cs1)c1cccs1 ZINC000587020166 IJ Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(I)cnc4[nH]3)c2)cs1 ZINC000587020231 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cs1 ZINC000587020305 IJ Annotated Anodyne Cc1nc(COc2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)cs1 ZINC000587020345 IJ Annotated Anodyne Cc1nc(COc2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)cs1 ZINC000587020388 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4csc(N)n4)c3)nc2c1 ZINC000587020693 IJ Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(Br)c(Br)cc4[nH]3)s2)cn1 ZINC000587020730 IJ Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)s2)cn1 ZINC000587020964 IJ Annotated Anodyne COC(=O)c1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587021202 IJ Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)s2)cn1 ZINC000587021366 IJ Annotated Anodyne CC(C)COc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1Br ZINC000587021486 IJ Annotated Anodyne Cn1cc(-c2ncc(-c3nc4c(Br)ccc(Br)c4[nH]3)s2)cn1 ZINC000587021615 IJ Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)s2)cn1 ZINC000587021932 IJ Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)s2)cn1 ZINC000587021938 IJ Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3c(Br)cnc(Br)c3[nH]2)cs1 ZINC000587022090 IJ Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)s2)cn1 ZINC000587022215 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c[nH]cc3-c3csc(C)n3)nc2c1 ZINC000587022256 IJ Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)s2)cn1 ZINC000587022366 IJ Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3c(I)cnc(Cl)c3[nH]2)cs1 ZINC000587022393 IJ Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)s2)cn1 ZINC000587022495 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 ZINC000587022594 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(I)cccc3[nH]2)s1 ZINC000587023050 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)s1 ZINC000587023277 IJ Annotated Clean CC(C)(C)OC(=O)Nc1cnc(-c2nc3ncc(Br)c(Cl)c3[nH]2)s1 ZINC000587023416 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)s1 ZINC000587023457 IJ Annotated Bother CC(C)(C)OC(=O)Nc1cnc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)s1 ZINC000587023706 IJ Annotated Bother CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)s1 ZINC000587023838 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Cl)ncc(Br)c3[nH]2)s1 ZINC000587023863 IJ Annotated Anodyne O=C(CCc1nc2ccc(Oc3ccccc3)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024362 IJ Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587024499 IJ Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587024501 IJ Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587024502 IJ Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587024504 IJ Annotated Anodyne FC(F)(F)Oc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br ZINC000587024585 IJ Annotated Anodyne CCCCOc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br ZINC000587024652 IJ Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587024659 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 ZINC000587024828 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)ccnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587024928 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)ccnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587024929 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)ccnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587024930 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)ccnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587024931 IJ Annotated Anodyne Sc1nnc(SCc2nc3c(Br)ccc(Br)c3[nH]2)s1 ZINC000587024964 IJ Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587025287 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CSc4nnc(S)s4)[nH]c3c2)cc1 ZINC000587025295 IJ Annotated Anodyne FC(F)(F)c1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br ZINC000587025441 IJ Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587025511 IJ Annotated Anodyne O=C(O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1F ZINC000587025557 IJ Annotated Anodyne O=C(O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1F ZINC000587025558 IJ Annotated Anodyne O=C(O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1F ZINC000587025559 IJ Annotated Anodyne O=C(O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1F ZINC000587025562 IJ Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(CSc3nnc(S)s3)nc2c1 ZINC000587025818 IJ Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587025831 IJ Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587025832 IJ Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587025833 IJ Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587025834 IJ Annotated Mild CC(C)COc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Br ZINC000587025878 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)C[C@H]2CCCC[C@H]21 ZINC000587025894 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)C[C@@H]2CCCC[C@H]21 ZINC000587025896 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)C[C@H]2CCCC[C@@H]21 ZINC000587025898 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)C[C@@H]2CCCC[C@@H]21 ZINC000587025901 IJ Annotated Anodyne COC(=O)c1cc2nc(CSc3nnc(S)s3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587025941 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccnc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025963 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccnc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025964 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccnc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025965 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccnc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025966 IJ Annotated Anodyne COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1OC ZINC000587026390 IJ Annotated Anodyne COc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1OC ZINC000587026391 IJ Annotated Anodyne COc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1OC ZINC000587026392 IJ Annotated Anodyne COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1OC ZINC000587026480 IJ Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CSc3nnc(S)s3)nc2c1 ZINC000587026571 IJ Annotated Anodyne Sc1nnc(SCc2nc3cc(Br)c(Br)cc3[nH]2)s1 ZINC000587026579 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)ncc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026710 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)ncc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026711 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)ncc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026712 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)ncc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026713 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3nc(-c4ccsc4)oc3C)nc2c1 ZINC000587026743 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSCc4ccsc4)[nH]c3c2)cc1 ZINC000587026855 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026911 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026912 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cnc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026913 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cnc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026914 IJ Annotated Anodyne O=C1CCc2cc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3cc2N1 ZINC000587026918 IJ Annotated Anodyne O=C1CCc2cc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3cc2N1 ZINC000587026919 IJ Annotated Anodyne O=C1CCc2cc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3cc2N1 ZINC000587026920 IJ Annotated Anodyne O=C1CCc2cc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3cc2N1 ZINC000587026922 IJ Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587027023 IJ Annotated Clean O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027079 IJ Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027080 IJ Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027081 IJ Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027082 IJ Annotated Bother O=C(O)c1cc(F)cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587027096 IJ Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587027098 IJ Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587027100 IJ Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587027102 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cncc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027103 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cncc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027104 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cncc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027106 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cncc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027107 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c[nH]cc3-c3scnc3C)nc2c1 ZINC000587027417 IJ Annotated Anodyne Cc1ncsc1CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587027786 IJ Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587028039 IJ Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587028103 IJ Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587028105 IJ Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587028110 IJ Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587028113 IJ Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587028149 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)nc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028236 IJ Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587028260 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)nc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028378 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)nc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028379 IJ Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)nc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028380 IJ Annotated Anodyne Cc1ncsc1CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587028648 IJ Annotated Anodyne Cc1c(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028860 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 ZINC000587029035 IJ Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587029084 IJ Annotated Anodyne Ic1cccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029177 IJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029212 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029263 IJ Annotated Bother Cc1c(-c2nc3c(Cl)ncc(Br)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029701 IJ Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587029761 IJ Annotated Anodyne Cc1c(-c2nc3c(F)c(F)c(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029799 IJ Annotated Anodyne Ic1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 ZINC000587029954 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587030081 IJ Annotated Bother Cc1c(-c2nc3ncc(Br)c(Cl)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030114 IJ Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587030192 IJ Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587030193 IJ Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587030194 IJ Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587030195 IJ Annotated Anodyne COC(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1OC ZINC000587030353 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc4c(cc3[nH]1)NC(=O)CC4)N2 ZINC000587030359 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc4c(cc3[nH]1)NC(=O)CC4)N2 ZINC000587030360 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc4c(cc3[nH]1)NC(=O)CC4)N2 ZINC000587030361 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc4c(cc3[nH]1)NC(=O)CC4)N2 ZINC000587030362 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)N2 ZINC000587030363 IJ Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)N2 ZINC000587030364 IJ Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)N2 ZINC000587030365 IJ Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)N2 ZINC000587030366 IJ Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc4c(cc3[nH]1)OCCCO4)N2 ZINC000587030384 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc4c(cc3[nH]1)OCCCO4)N2 ZINC000587030385 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc4c(cc3[nH]1)OCCCO4)N2 ZINC000587030386 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc4c(cc3[nH]1)OCCCO4)N2 ZINC000587030387 IJ Annotated Anodyne COc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1OC ZINC000587030603 IJ Annotated Anodyne COc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1OC ZINC000587030604 IJ Annotated Anodyne COc1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1OC ZINC000587030605 IJ Annotated Anodyne COc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1OC ZINC000587030606 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Cl)nc(C#N)c3[nH]1)N2 ZINC000587030714 IJ Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Cl)nc(C#N)c3[nH]1)N2 ZINC000587030717 IJ Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Cl)nc(C#N)c3[nH]1)N2 ZINC000587030719 IJ Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Cl)nc(C#N)c3[nH]1)N2 ZINC000587030721 IJ Annotated Mild CCOC(=O)c1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587030726 IJ Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587030728 IJ Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587030729 IJ Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587030730 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(F)cc(C(=O)O)c3[nH]1)N2 ZINC000587030732 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(F)cc(C(=O)O)c3[nH]1)N2 ZINC000587030734 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(F)cc(C(=O)O)c3[nH]1)N2 ZINC000587030736 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(F)cc(C(=O)O)c3[nH]1)N2 ZINC000587030737 IJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 ZINC000587031014 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Br)ncc4[nH]3)c2C1 ZINC000587031071 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cncc(Br)c4[nH]3)c2C1 ZINC000587031195 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2C1 ZINC000587031267 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(Br)nc4[nH]3)c2C1 ZINC000587031321 IJ Annotated Anodyne Nc1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)sc2cc(Br)ccc12 ZINC000587031355 IJ Annotated Bother Nc1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587031482 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Br)cnc4[nH]3)c2C1 ZINC000587031586 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccnc(Br)c4[nH]3)c2C1 ZINC000587031664 IJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 ZINC000587031737 IJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2cc1OC ZINC000587031751 IJ Annotated Anodyne CN(C)CCOc1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 ZINC000587031896 IJ Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(S(=O)(=O)N(C)C)cccc4[nH]3)c21 ZINC000587031898 IJ Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(S(=O)(=O)N(C)C)cccc4[nH]3)c21 ZINC000587031902 IJ Annotated Anodyne Oc1ccc2scc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2c1 ZINC000587031949 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 ZINC000587032053 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(Br)ccnc4[nH]3)c2C1 ZINC000587032220 IJ Annotated Anodyne CCOC(=O)c1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 ZINC000587032224 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C(=O)O)c(F)cc3[nH]1)N2 ZINC000587032337 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C(=O)O)c(F)cc3[nH]1)N2 ZINC000587032338 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C(=O)O)c(F)cc3[nH]1)N2 ZINC000587032339 IJ Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C(=O)O)c(F)cc3[nH]1)N2 ZINC000587032341 IJ Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)N(C)C)ccc4[nH]3)c21 ZINC000587032395 IJ Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)N(C)C)ccc4[nH]3)c21 ZINC000587032396 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2C1 ZINC000587032422 IJ Annotated Anodyne Ic1cnc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 ZINC000587032542 IJ Annotated Anodyne Cc1cc2[nH]c([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2cc1[N+](=O)[O-] ZINC000587032564 IJ Annotated Bother Cc1cc2[nH]c([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2cc1[N+](=O)[O-] ZINC000587032568 IJ Annotated Bother Cc1cc2[nH]c([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2cc1[N+](=O)[O-] ZINC000587032571 IJ Annotated Bother Cc1cc2[nH]c([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2cc1[N+](=O)[O-] ZINC000587032574 IJ Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C)c(C)c4[nH]3)ccc2s1 ZINC000587032796 IJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3c(-n4cccc4)sc4c3CCC4)nc-2[nH]1 ZINC000587033112 IJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C)c(C)cc4[nH]3)ccc2s1 ZINC000587033445 IJ Annotated Anodyne CN(C)CCOc1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 ZINC000587033668 IJ Annotated Anodyne O=C(NCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587033722 IJ Annotated Anodyne C=CCc1cccc2nc(COCC(=O)Nc3ccc4sc(C(=O)OCC)cc4c3)[nH]c12 ZINC000587033759 IJ Annotated Mild CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(CC)cc4[nH]3)ccc2s1 ZINC000587033782 IJ Annotated Anodyne CCCCOc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1Br ZINC000587033818 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2C1 ZINC000587033852 IJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(Cl)cc4[nH]3)ccc2s1 ZINC000587033963 IJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C)cc(C)c4[nH]3)ccc2s1 ZINC000587034111 IJ Annotated Anodyne CCCOc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1Br ZINC000587034220 IJ Annotated Anodyne O=C(NCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034258 IJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C)cc(F)c4[nH]3)ccc2s1 ZINC000587034375 IJ Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587034545 IJ Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587034547 IJ Annotated Anodyne O=C(NCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034682 IJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(C)ccc(C)c4[nH]3)ccc2s1 ZINC000587034689 IJ Annotated Anodyne O=C(NCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034692 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CNC(=O)c4cc5c(s4)CCC5)[nH]c3c2)cc1 ZINC000587034734 IJ Annotated Anodyne CC(C)Oc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1Br ZINC000587035055 IJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(F)c(C)c4[nH]3)ccc2s1 ZINC000587035130 IJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(Cl)c4[nH]3)ccc2s1 ZINC000587035173 IJ Annotated Anodyne CC(C)COc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1Br ZINC000587035589 IJ Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C)c(F)cc4[nH]3)ccc2s1 ZINC000587035709 IJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(OCc5ccccc5)c4[nH]3)cc12 ZINC000587036911 IJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(OCc5ccccc5)c4[nH]3)cc12 ZINC000587036915 IJ Annotated Anodyne Clc1ncc(I)c2nc([C@@H]3SCCc4sccc43)[nH]c12 ZINC000587036971 IJ Annotated Anodyne Clc1ncc(I)c2nc([C@H]3SCCc4sccc43)[nH]c12 ZINC000587036974 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1 ZINC000587037126 IJ Annotated Anodyne Brc1cnc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc12 ZINC000587037141 IJ Annotated Anodyne Brc1cnc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc12 ZINC000587037142 IJ Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(C(N)=O)c5[nH]4)c23)cc1 ZINC000587037251 IJ Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)nncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037267 IJ Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)nncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037268 IJ Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037291 IJ Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037292 IJ Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnc(N)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037298 IJ Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnc(N)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037299 IJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(OCc5ccccc5)cc4[nH]3)cc12 ZINC000587037513 IJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(OCc5ccccc5)cc4[nH]3)cc12 ZINC000587037515 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Br)cc(Cl)cc2[nH]1 ZINC000587037890 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 ZINC000587037952 IJ Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc[nH]c-6n5)cc4)nc(O)c23)C1 ZINC000587038129 IJ Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc[nH]c-6n5)cc4)nc(O)c23)C1 ZINC000587038130 IJ Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(N)nccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038140 IJ Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(N)nccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038141 IJ Annotated Anodyne Cc1c(Br)cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1C ZINC000587038334 IJ Annotated Anodyne Cc1c(Br)cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1C ZINC000587038335 IJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc12 ZINC000587038373 IJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc12 ZINC000587038374 IJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(SC(F)(F)F)cc4[nH]3)cc12 ZINC000587038425 IJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(SC(F)(F)F)cc4[nH]3)cc12 ZINC000587038426 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Cl)cc(Br)cc2[nH]1 ZINC000587039074 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4Cc5ccccc5S4)[nH]c3c2)cc1 ZINC000587039226 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4Cc5ccccc5S4)[nH]c3c2)cc1 ZINC000587039229 IJ Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039308 IJ Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039310 IJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc12 ZINC000587039421 IJ Annotated Clean Cc1ccc(-c2csc3ncnc(SCc4nc5c(O)nc(S)nc5[nH]4)c23)cc1 ZINC000587039423 IJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc12 ZINC000587039424 IJ Annotated Clean Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cc12 ZINC000587039581 IJ Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cc12 ZINC000587039583 IJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc12 ZINC000587039743 IJ Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5[nH]c(=N)[nH]c(Cl)c-5n4)c23)cc1 ZINC000587040041 IJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587040693 IJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587040695 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000587040718 IJ Annotated Mild CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000587040719 IJ Annotated Mild CCCOc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587040726 IJ Annotated Anodyne CCCOc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587040731 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5csc6nccn56)[nH]c4c3)o2)cc1 ZINC000587040754 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(Br)c(C)c3[nH]2)cc1 ZINC000587040811 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(Br)c(C)c3[nH]2)cc1 ZINC000587040814 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C)cc(Br)c3[nH]2)cc1 ZINC000587040822 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C)cc(Br)c3[nH]2)cc1 ZINC000587040823 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587041094 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587041096 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)cc(C)c3[nH]2)cc1 ZINC000587041097 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)cc(C)c3[nH]2)cc1 ZINC000587041098 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C)c(Br)cc3[nH]2)cc1 ZINC000587041176 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C)c(Br)cc3[nH]2)cc1 ZINC000587041178 IJ Annotated Anodyne Nc1ccc(-c2ccc3nc(C[C@@H]4Sc5ccc(Cl)cc5NC4=O)[nH]c3c2)cc1N ZINC000587041321 IJ Annotated Anodyne Nc1ccc(-c2ccc3nc(C[C@H]4Sc5ccc(Cl)cc5NC4=O)[nH]c3c2)cc1N ZINC000587041323 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587041368 IJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587041371 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587041379 IJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587041383 IJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 ZINC000587041501 IJ Annotated Mild N#Cc1cc(Br)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2c1 ZINC000587041503 IJ Annotated Mild O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587042015 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587042016 IJ Annotated Anodyne O=C1CSC[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)N1 ZINC000587042262 IJ Annotated Reactive O=C1CSC[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)N1 ZINC000587042263 IJ Annotated Reactive O=C1CSc2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2N1 ZINC000587042279 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587042456 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587042457 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587042466 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587042467 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587042532 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587042533 IJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587042596 IJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587042597 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587042847 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587042848 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587042862 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587042863 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587042888 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587042889 IJ Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587043066 IJ Annotated Anodyne CC(C)Oc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587043067 IJ Annotated Anodyne CC(C)COc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587043093 IJ Annotated Anodyne CC(C)COc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br ZINC000587043098 IJ Annotated Anodyne COC(=O)c1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587043332 IJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587043387 IJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587043390 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587043558 IJ Annotated Bother O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587043559 IJ Annotated Bother O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587043578 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587043579 IJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587043646 IJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587043647 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CSCN4C(=O)C(C)(C)C)[nH]c3c2)cc1 ZINC000587043698 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4CSCN4C(=O)C(C)(C)C)[nH]c3c2)cc1 ZINC000587043699 IJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587043722 IJ Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587043723 IJ Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3CSCC(=O)N3)[nH]c2cc1Br ZINC000587043735 IJ Annotated Mild CCCCCCCCOc1cc2nc([C@H]3CSCC(=O)N3)[nH]c2cc1Br ZINC000587043737 IJ Annotated Mild O=C1CSc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2N1 ZINC000587043787 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587043821 IJ Annotated Bother O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587043822 IJ Annotated Bother CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(Br)c3[nH]2)cc1 ZINC000587043946 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(Br)c3[nH]2)cc1 ZINC000587043947 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587044122 IJ Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587044123 IJ Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc2N1 ZINC000587044141 IJ Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587044194 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000587044296 IJ Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000587044297 IJ Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc2N1 ZINC000587044363 IJ Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587044385 IJ Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587044927 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)c(O)c(OC)c3)nc2c1 ZINC000587045707 IJ Annotated Anodyne COc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc(Cl)c1O ZINC000587045901 IJ Annotated Anodyne COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(Cl)c1OCC(C)C ZINC000587046018 IJ Annotated Anodyne COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(Cl)c1OCC(C)C ZINC000587046019 IJ Annotated Anodyne COc1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046270 IJ Annotated Anodyne COc1cc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046576 IJ Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047042 IJ Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047043 IJ Annotated Anodyne O=[N+]([O-])c1cc(/C=C\c2nc3ccc(I)cc3[nH]2)ccc1Cl ZINC000587047270 IJ Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3ccc(I)cc3[nH]2)ccc1Cl ZINC000587047271 IJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000587047322 IJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000587047323 IJ Annotated Bother COc1cc(/C=C\c2nc3nc(Br)c[nH]c-3n2)cc(Cl)c1OCC(C)C ZINC000587047379 IJ Annotated Anodyne COc1cc(/C=C/c2nc3nc(Br)c[nH]c-3n2)cc(Cl)c1OCC(C)C ZINC000587047380 IJ Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047427 IJ Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047428 IJ Annotated Anodyne O=[N+]([O-])c1cc(/C=C\c2nc3cccc(I)c3[nH]2)ccc1Cl ZINC000587047804 IJ Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3cccc(I)c3[nH]2)ccc1Cl ZINC000587047805 IJ Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(C)cnc(Cl)c3[nH]2)c1 ZINC000587047836 IJ Annotated Anodyne O=[N+]([O-])c1cc(/C=C\c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Cl ZINC000587048055 IJ Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Cl ZINC000587048056 IJ Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000587048460 IJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000587049293 IJ Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000587049297 IJ Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000587049610 IJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000587049718 IJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000587049723 IJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Cl)nc(C#N)c3[nH]2)c1 ZINC000587050249 IJ Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Cl)nc(C#N)c3[nH]2)c1 ZINC000587050251 IJ Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 ZINC000587050534 IJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(C)cnc(Cl)c3[nH]2)c1 ZINC000587050676 IJ Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(C)cnc(Cl)c3[nH]2)c1 ZINC000587050678 IJ Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c(Cl)c2)c1 ZINC000587051945 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](N)Cc4ccc(O)c(Cl)c4)[nH]c3c2)cc1 ZINC000587052006 IJ Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 ZINC000587052371 IJ Annotated Mild N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587052457 IJ Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587052708 IJ Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587052745 IJ Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587052797 IJ Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587052816 IJ Annotated Anodyne CC(C)COc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Br ZINC000587052965 IJ Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587053043 IJ Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587053768 IJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587053776 IJ Annotated Bother Cc1cc(/C=C(\C#N)c2nc3cnnc(O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053909 IJ Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cnnc(O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053916 IJ Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3c(O)ncnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053979 IJ Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3c(O)ncnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053981 IJ Annotated Reactive COc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Cl ZINC000587054050 IJ Annotated Bother COc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Cl ZINC000587054057 IJ Annotated Bother O=c1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cn1Cc1ccc(Cl)cc1Cl ZINC000587054106 IJ Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587054327 IJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587054329 IJ Annotated Bother COc1cc(OC)c2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000587054473 IJ Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587054499 IJ Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587054500 IJ Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 ZINC000587054844 IJ Annotated Anodyne N[C@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1Cl ZINC000587055290 IJ Annotated Anodyne N[C@@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1Cl ZINC000587055291 IJ Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587055297 IJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587055299 IJ Annotated Bother N[C@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)c1ccccc1Cl ZINC000587055387 IJ Annotated Anodyne N[C@@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)c1ccccc1Cl ZINC000587055388 IJ Annotated Anodyne O=c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cn1Cc1ccc(Cl)cc1Cl ZINC000587055674 IJ Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)o2)c1Cl ZINC000587056405 IJ Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587056656 IJ Annotated Mild CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587056672 IJ Annotated Mild CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587056723 IJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587056725 IJ Annotated Bother Cc1cc(/C=C(/C#N)c2nc3c(O)nc(O)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056733 IJ Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3c(O)nc(O)nc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056748 IJ Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587056902 IJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587056903 IJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587057446 IJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587057447 IJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587057454 IJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587057455 IJ Annotated Bother COC(=O)c1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587057780 IJ Annotated Anodyne COC(=O)c1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587057787 IJ Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587058049 IJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587058053 IJ Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587058057 IJ Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587058058 IJ Annotated Bother N[C@@H](Cc1ccccc1Cl)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587058163 IJ Annotated Anodyne O=c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cn1Cc1ccc(Cl)cc1Cl ZINC000587058892 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1 ZINC000587058961 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1 ZINC000587058962 IJ Annotated Anodyne COc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1OC ZINC000587059609 IJ Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587059785 IJ Annotated Anodyne O=C1CCc2cc3nc(-c4ccc(=O)n(Cc5ccc(Cl)cc5Cl)c4)[nH]c3cc2N1 ZINC000587059906 IJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060776 IJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(C)cnc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060795 IJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(OC)c(Cl)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061012 IJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Br)c(C)nc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061019 IJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C#N)cc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061036 IJ Annotated Mild Cc1cc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061059 IJ Annotated Bother CCN1C(=O)C[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061137 IJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C#N)cc(Cl)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061199 IJ Annotated Mild Nc1ncc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587061220 IJ Annotated Anodyne Cc1cc(-c2nc3cc(CCO)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061492 IJ Annotated Anodyne Nc1ncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587061610 IJ Annotated Anodyne Cc1cc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061974 IJ Annotated Bother Cc1cc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061981 IJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@@H]1c1ccccc1Cl ZINC000587062052 IJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3c(C)c(Br)cnc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062489 IJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062493 IJ Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062519 IJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062721 IJ Annotated Bother COCCN1C(=O)CC[C@H](c2nc3ccc4ncccc4c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063025 IJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 ZINC000587063100 IJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(C(C)=O)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063245 IJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cnc4ccccc4c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063417 IJ Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(OC)c(C)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063652 IJ Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2c1OC ZINC000587063821 IJ Annotated Anodyne NNC(=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063875 IJ Annotated Reactive O=c1cccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063962 IJ Annotated Anodyne N=c1[nH]c2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc-2c(Cl)[nH]1 ZINC000587063998 IJ Annotated Anodyne O=c1cccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064016 IJ Annotated Anodyne O=c1cccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064040 IJ Annotated Bother Oc1nc(S)nc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc12 ZINC000587064055 IJ Annotated Anodyne O=c1cccc(-c2nc3c(Br)cccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064136 IJ Annotated Anodyne O=c1cccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)n1CCOc1ccccc1Cl ZINC000587064217 IJ Annotated Anodyne O=c1cccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)n1CCOc1ccccc1Cl ZINC000587064487 IJ Annotated Anodyne O=c1cccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064508 IJ Annotated Anodyne N#Cc1cc(Cl)c2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064515 IJ Annotated Mild CCOc1n[nH]c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1Cl ZINC000587064547 IJ Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587064651 IJ Annotated Anodyne O=c1cccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064859 IJ Annotated Anodyne O=c1cccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)n1CCOc1ccccc1Cl ZINC000587064869 IJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1Cl ZINC000587064906 IJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1Cl ZINC000587064962 IJ Annotated Anodyne COc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1Cl ZINC000587065074 IJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(Cl)c(OC)cn3)nc2c(F)c1Nc1ccccc1 ZINC000587065100 IJ Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587065317 IJ Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)c1Cl ZINC000587065375 IJ Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)c1Cl ZINC000587065555 IJ Annotated Anodyne Cc1nn(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)c(C)c1Cl ZINC000587065641 IJ Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(I)cnc4[nH]3)c2)c(C)c1Cl ZINC000587065796 IJ Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2ncc(I)cc2[nH]1 ZINC000587065839 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2c1 ZINC000587066128 IJ Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587066711 IJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2c1 ZINC000587066762 IJ Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587067138 IJ Annotated Mild Cc1cc(Cl)ccc1OCCCc1nc2cc(I)cnc2[nH]1 ZINC000587067163 IJ Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587067275 IJ Annotated Mild OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc1 ZINC000587067673 IJ Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(Cl)cc(-c5ccc(CO)cc5)c4)[nH]c3c2)NNC(=O)C1 ZINC000587067677 IJ Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)nc3cc2N1 ZINC000587068329 IJ Annotated Anodyne Sc1nc(S)c2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2n1 ZINC000587068747 IJ Annotated Anodyne Clc1cccc(-n2nc(-c3nc4nc(Br)c[nH]c-4n3)cc2-c2ccco2)c1 ZINC000587068812 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000587068866 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000587068867 IJ Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c1 ZINC000587069056 IJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587069441 IJ Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587069494 IJ Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587069496 IJ Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587070237 IJ Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587070254 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1cccc(Cl)c1 ZINC000587070263 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1cccc(Cl)c1 ZINC000587070266 IJ Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587070516 IJ Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587070520 IJ Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587070865 IJ Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587070868 IJ Annotated Anodyne O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000587070872 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1cccc(Cl)c1 ZINC000587070919 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1cccc(Cl)c1 ZINC000587070923 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1cccc(Cl)c1 ZINC000587071091 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1cccc(Cl)c1 ZINC000587071096 IJ Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2)c1 ZINC000587071795 IJ Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2)c1 ZINC000587071800 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1cccc(Cl)c1 ZINC000587072003 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1cccc(Cl)c1 ZINC000587072006 IJ Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587072059 IJ Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587072060 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072367 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072369 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072371 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072373 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1cccc(Cl)c1 ZINC000587072452 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1cccc(Cl)c1 ZINC000587072453 IJ Annotated Anodyne COC(=O)c1cccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 ZINC000587072622 IJ Annotated Anodyne COC(=O)c1cccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c12 ZINC000587072623 IJ Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587072686 IJ Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587072687 IJ Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587072688 IJ Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587072689 IJ Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587072715 IJ Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587072716 IJ Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587072717 IJ Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587072718 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(N)ccnc2[nH]1 ZINC000587073008 IJ Annotated Anodyne Cc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073310 IJ Annotated Bother Cc1c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073347 IJ Annotated Anodyne Cc1c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073769 IJ Annotated Bother Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073910 IJ Annotated Bother CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587073915 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccnc(O)c2[nH]1 ZINC000587073968 IJ Annotated Anodyne Cc1c(-c2nc3c(Cl)c(Br)cnc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074077 IJ Annotated Anodyne Cc1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074089 IJ Annotated Anodyne Cc1c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074275 IJ Annotated Anodyne Cc1c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074298 IJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)nc-2[nH]1 ZINC000587074645 IJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc-2[nH]1 ZINC000587074646 IJ Annotated Anodyne Cc1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074758 IJ Annotated Bother Cc1onc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587074923 IJ Annotated Bother Cc1c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075149 IJ Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587075153 IJ Annotated Anodyne Cc1c(-c2nc3cccc(I)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075156 IJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587075286 IJ Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4c(Cl)c(Br)cnc4[nH]3)o2)cc1 ZINC000587075381 IJ Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cccc(I)c2[nH]1 ZINC000587075627 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587076002 IJ Annotated Bother Oc1nc(NCc2ccccc2)c2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc-2[nH]1 ZINC000587076075 IJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000587076091 IJ Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587076124 IJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc2c1 ZINC000587076255 IJ Annotated Anodyne Cc1c(-c2nc3ccc(I)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076303 IJ Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2c1OC ZINC000587076325 IJ Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(I)cc2[nH]1 ZINC000587076583 IJ Annotated Anodyne Cc1onc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076821 IJ Annotated Anodyne Clc1ccc(CN2CCC[C@H]2c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587077045 IJ Annotated Anodyne Clc1ccc(CN2CCC[C@@H]2c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587077050 IJ Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2ncc(I)cc2[nH]1 ZINC000587077133 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2c1 ZINC000587077229 IJ Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4c(Br)cnc(Cl)c4[nH]3)o2)cc1 ZINC000587077424 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077603 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077604 IJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c21 ZINC000587077774 IJ Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c21 ZINC000587077775 IJ Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(=O)OC)nc4[nH]3)c(Cl)cc12 ZINC000587077832 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(=O)OC)nc4[nH]3)c(Cl)cc12 ZINC000587077833 IJ Annotated Anodyne Nc1nc(O)c2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2n1 ZINC000587077881 IJ Annotated Anodyne Nc1nc(O)c2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2n1 ZINC000587077883 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(C(=O)OC)ccnc4[nH]3)c(Cl)cc12 ZINC000587077964 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(C(=O)OC)ccnc4[nH]3)c(Cl)cc12 ZINC000587077965 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(C(N)=O)c4[nH]3)c(Cl)cc12 ZINC000587078035 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(C(N)=O)c4[nH]3)c(Cl)cc12 ZINC000587078036 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(=O)OC)ncc4[nH]3)c(Cl)cc12 ZINC000587078162 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(=O)OC)ncc4[nH]3)c(Cl)cc12 ZINC000587078163 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(S)nc(S)nc4[nH]3)c(Cl)cc12 ZINC000587078206 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(S)nc(S)nc4[nH]3)c(Cl)cc12 ZINC000587078207 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(CCO)cc4[nH]3)c(Cl)cc12 ZINC000587078319 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(CCO)cc4[nH]3)c(Cl)cc12 ZINC000587078320 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(N)=O)cc4[nH]3)c(Cl)cc12 ZINC000587078581 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(N)=O)cc4[nH]3)c(Cl)cc12 ZINC000587078582 IJ Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cncc([N+](=O)[O-])c4[nH]3)c(Cl)cc12 ZINC000587078627 IJ Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cncc([N+](=O)[O-])c4[nH]3)c(Cl)cc12 ZINC000587078628 IJ Annotated Bother CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc([N+](=O)[O-])cnc4[nH]3)c(Cl)cc12 ZINC000587078685 IJ Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc([N+](=O)[O-])cnc4[nH]3)c(Cl)cc12 ZINC000587078686 IJ Annotated Bother N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(I)c2[nH]1 ZINC000587078747 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc(I)c2[nH]1 ZINC000587078749 IJ Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(Cl)ncc(I)c3[nH]2)n1 ZINC000587078812 IJ Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Cl)ncc(I)c3[nH]2)n1 ZINC000587078815 IJ Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587078953 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587078954 IJ Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587079000 IJ Annotated Bother N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587079001 IJ Annotated Bother Cc1onc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079377 IJ Annotated Bother N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587079642 IJ Annotated Bother N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587079644 IJ Annotated Bother Clc1ccc2c(c1)C[C@@H](c1nc3c(Br)cnc(Br)c3[nH]1)O2 ZINC000587079799 IJ Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3c(Br)cnc(Br)c3[nH]1)O2 ZINC000587079800 IJ Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587079837 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587079839 IJ Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(I)cc2[nH]1 ZINC000587080389 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(I)cc2[nH]1 ZINC000587080392 IJ Annotated Anodyne Clc1ccc2ccn(Cc3nc4c(I)cnc(Cl)c4[nH]3)c2c1 ZINC000587080454 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3nn([C@H](C)CC)cc3Cl)[nH]c2c1 ZINC000587080650 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3nn([C@@H](C)CC)cc3Cl)[nH]c2c1 ZINC000587080653 IJ Annotated Anodyne Fc1cnc(Br)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 ZINC000587080786 IJ Annotated Anodyne Cc1onc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080822 IJ Annotated Bother N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587080889 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587080890 IJ Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587080921 IJ Annotated Clean N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587080923 IJ Annotated Clean O=C(CCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(Cl)cn1 ZINC000587081054 IJ Annotated Clean CC1=C(c2ccc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3c2)NNC(=O)C1 ZINC000587081073 IJ Annotated Clean Clc1ccc2c(c1)C[C@@H](c1nc3c(I)cnc(Cl)c3[nH]1)O2 ZINC000587081193 IJ Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3c(I)cnc(Cl)c3[nH]1)O2 ZINC000587081198 IJ Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587081278 IJ Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587081279 IJ Annotated Anodyne Fc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1-n1cccn1 ZINC000587081295 IJ Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 ZINC000587081315 IJ Annotated Anodyne Clc1cnn2c(-c3nc4nccc(Br)c4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081323 IJ Annotated Anodyne FC1(F)Oc2cc3nc(-c4cc(-c5ccccc5)nc5c(Cl)cnn45)[nH]c3cc2O1 ZINC000587081355 IJ Annotated Anodyne Clc1cnn2c(-c3nc4nc(Br)ccc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081361 IJ Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)ncc(Br)c3[nH]2)n1 ZINC000587081390 IJ Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)ncc(Br)c3[nH]2)n1 ZINC000587081391 IJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587081520 IJ Annotated Mild Clc1cnn2c(-c3nc4c(Br)cncc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081571 IJ Annotated Anodyne Clc1cnn2c(-c3nc4c(Br)nccc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081600 IJ Annotated Anodyne Clc1cnn2c(-c3nc4cnc(Br)cc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081681 IJ Annotated Anodyne Clc1cnn2c(-c3nc4ncc(Br)cc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081726 IJ Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc12 ZINC000587081984 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082072 IJ Annotated Bother Clc1cnn(COc2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)c1 ZINC000587082158 IJ Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587082216 IJ Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2n1 ZINC000587082230 IJ Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cccc(OCn5cc(Cl)cn5)c4)[nH]c3c2)cc1N ZINC000587082259 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082313 IJ Annotated Bother NS(=O)(=O)c1cccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 ZINC000587082405 IJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082467 IJ Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082679 IJ Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cccc(OCn4cc(Cl)cn4)c3)nc1-2 ZINC000587082899 IJ Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083492 IJ Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(OC)nc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587083692 IJ Annotated Anodyne Clc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)nc1Cl ZINC000587084146 IJ Annotated Anodyne Clc1nc(-c2nc3ncc(I)cc3[nH]2)ccc1-c1ccccc1 ZINC000587084288 IJ Annotated Anodyne Clc1cc(Br)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587085096 IJ Annotated Anodyne Clc1cccc(C2(c3nc4c(Br)cnc(Br)c4[nH]3)CC2)n1 ZINC000587085220 IJ Annotated Anodyne Clc1nccnc1N1CCC(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 ZINC000587085529 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587086082 IJ Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587086084 IJ Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(S)nc(S)nc2[nH]1 ZINC000587086331 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(S)nc(S)nc2[nH]1 ZINC000587086332 IJ Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cn1 ZINC000587086378 IJ Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cn1 ZINC000587086379 IJ Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587086397 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587086398 IJ Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587086399 IJ Annotated Bother COC(=O)c1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2n1 ZINC000587086415 IJ Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2n1 ZINC000587086416 IJ Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587086495 IJ Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587086507 IJ Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587086581 IJ Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587086613 IJ Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587087053 IJ Annotated Mild CC(C)Oc1cc2nc(C(F)(Br)Br)[nH]c2cc1Br ZINC000587087057 IJ Annotated Anodyne Cc1cncc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587087067 IJ Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587087135 IJ Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587087144 IJ Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587087352 IJ Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587087353 IJ Annotated Anodyne Cc1cnc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2c1 ZINC000587087467 IJ Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587087547 IJ Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(O)cc5[nH]4)(C3)C1)C2 ZINC000587087689 IJ Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cccc(O)c5[nH]4)(C3)C1)C2 ZINC000587087763 IJ Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587087783 IJ Annotated Mild FC(F)(F)Oc1cc2nc(C(F)(Br)Br)[nH]c2cc1Cl ZINC000587087954 IJ Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587088044 IJ Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587088045 IJ Annotated Anodyne CCCOc1cc2nc(C(F)(Br)Br)[nH]c2cc1Br ZINC000587088243 IJ Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587088384 IJ Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587088386 IJ Annotated Anodyne Cc1ccnc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc12 ZINC000587088397 IJ Annotated Anodyne COC(=O)c1ccnc2[nH]c(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc12 ZINC000587088486 IJ Annotated Anodyne COC(=O)c1ccnc2[nH]c(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc12 ZINC000587088487 IJ Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587088601 IJ Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587088602 IJ Annotated Anodyne Cc1nccc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc12 ZINC000587088611 IJ Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccccc5[nH]4)(C3)C1)C2 ZINC000587088615 IJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 ZINC000587088717 IJ Annotated Mild Cc1ccc2c(ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c32)n1 ZINC000587088744 IJ Annotated Mild Cc1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2n1 ZINC000587088979 IJ Annotated Anodyne COC(=O)c1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587089166 IJ Annotated Anodyne COC(=O)c1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587089167 IJ Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587089505 IJ Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 ZINC000587089677 IJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587089762 IJ Annotated Mild Oc1c(Br)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089907 IJ Annotated Mild Cc1nc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1Br ZINC000587089920 IJ Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090095 IJ Annotated Mild FC(F)(F)c1nc(Cl)[nH]c2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc1-2 ZINC000587090530 IJ Annotated Mild Cc1c(Br)cnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587090717 IJ Annotated Mild FC(F)(F)CSc1cc(-c2nc3cccc(I)c3[nH]2)ccn1 ZINC000587090867 IJ Annotated Anodyne Cc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1C ZINC000587090876 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1 ZINC000587090894 IJ Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cnc(Br)cc2[nH]1 ZINC000587090926 IJ Annotated Anodyne Fc1cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2cc1-n1cccn1 ZINC000587090958 IJ Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2nc(Br)ccc2[nH]1 ZINC000587090971 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(F)c(F)c3[nH]2)CC1 ZINC000587091002 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(F)(F)F ZINC000587091101 IJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(F)(F)F ZINC000587091102 IJ Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587091152 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc2c1 ZINC000587091198 IJ Annotated Anodyne Cc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1F ZINC000587091391 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(F)cc(F)c3[nH]2)CC1 ZINC000587091432 IJ Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Br)nccc2[nH]1 ZINC000587091437 IJ Annotated Anodyne Cc1ccc(C)c2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc12 ZINC000587091453 IJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(F)cc(Br)c2[nH]1)C(F)(F)F ZINC000587091478 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(F)cc(Br)c2[nH]1)C(F)(F)F ZINC000587091481 IJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(Br)c(C)c2[nH]1)C(F)(F)F ZINC000587091515 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(Br)c(C)c2[nH]1)C(F)(F)F ZINC000587091516 IJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587091578 IJ Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Br)cncc2[nH]1 ZINC000587091633 IJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc12 ZINC000587091647 IJ Annotated Anodyne Cc1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1C ZINC000587091684 IJ Annotated Anodyne Cc1cc(F)c2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000587091685 IJ Annotated Anodyne COc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1C ZINC000587091691 IJ Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3ccc(I)cc3[nH]2)ccn1 ZINC000587091825 IJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(Br)c(F)cc2[nH]1)C(F)(F)F ZINC000587091881 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)c(F)cc2[nH]1)C(F)(F)F ZINC000587091882 IJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587091890 IJ Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587091891 IJ Annotated Mild CCOc1ccccc1[C@](N)(c1nc2ccc(F)c(Br)c2[nH]1)C(F)(F)F ZINC000587091911 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(F)c(Br)c2[nH]1)C(F)(F)F ZINC000587091912 IJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(C)cc(Br)c2[nH]1)C(F)(F)F ZINC000587091925 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(C)cc(Br)c2[nH]1)C(F)(F)F ZINC000587091926 IJ Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cnc(C(F)(F)F)cc2[nH]1 ZINC000587091972 IJ Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587091979 IJ Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c1 ZINC000587092084 IJ Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2nccc(Br)c2[nH]1 ZINC000587092231 IJ Annotated Anodyne Cc1cc(C)c2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000587092236 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587092239 IJ Annotated Bother CN(C)CCOc1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 ZINC000587092255 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(F)c(F)cc3[nH]2)CC1 ZINC000587092268 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c3cccnc3c3ncccc3c2[nH]1)C(F)(F)F ZINC000587092408 IJ Annotated Bother CCOc1ccccc1[C@](N)(c1nc2c3cccnc3c3ncccc3c2[nH]1)C(F)(F)F ZINC000587092409 IJ Annotated Bother CCOc1ccccc1[C@](N)(c1nc2c(Br)cnc(Cl)c2[nH]1)C(F)(F)F ZINC000587092439 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(Br)cnc(Cl)c2[nH]1)C(F)(F)F ZINC000587092443 IJ Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587092563 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587092576 IJ Annotated Bother CCc1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000587092614 IJ Annotated Anodyne Cc1c(F)ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000587092616 IJ Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2ncc(Br)cc2[nH]1 ZINC000587092742 IJ Annotated Anodyne COc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1F ZINC000587092748 IJ Annotated Anodyne CC(=O)c1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000587092754 IJ Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2ncc(C(F)(F)F)cc2[nH]1 ZINC000587092825 IJ Annotated Mild Cc1csc([C@](O)(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)C(F)(F)F)n1 ZINC000587092830 IJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)C(F)(F)F)n1 ZINC000587092837 IJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2c(Cl)c(Br)cnc2[nH]1)C(F)(F)F ZINC000587092964 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(Cl)c(Br)cnc2[nH]1)C(F)(F)F ZINC000587092965 IJ Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)nn1CC(F)(F)F ZINC000587093077 IJ Annotated Mild CCOc1ccccc1[C@](N)(c1nc2cc(C)c(Br)cc2[nH]1)C(F)(F)F ZINC000587093354 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(C)c(Br)cc2[nH]1)C(F)(F)F ZINC000587093356 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(F)(F)F ZINC000587093420 IJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(F)(F)F ZINC000587093430 IJ Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(Br)cc(C)c2[nH]1)C(F)(F)F ZINC000587093458 IJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)C(F)(F)F)n1 ZINC000587093539 IJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)C(F)(F)F)n1 ZINC000587093540 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)cc(C)c2[nH]1)C(F)(F)F ZINC000587093566 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc3nc4ccccc4nc3cc2[nH]1)C(F)(F)F ZINC000587093567 IJ Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cc3nc4ccccc4nc3cc2[nH]1)C(F)(F)F ZINC000587093568 IJ Annotated Bother CCOc1ccccc1[C@](N)(c1nc2ccc(Br)c(F)c2[nH]1)C(F)(F)F ZINC000587093574 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(Br)c(F)c2[nH]1)C(F)(F)F ZINC000587093575 IJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C(F)(F)F)n1 ZINC000587093772 IJ Annotated Clean Cc1csc([C@](O)(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C(F)(F)F)n1 ZINC000587093775 IJ Annotated Clean CCOc1ccccc1[C@](N)(c1nc2cc(Br)cc(F)c2[nH]1)C(F)(F)F ZINC000587093899 IJ Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(Br)cc(F)c2[nH]1)C(F)(F)F ZINC000587093900 IJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C(F)(F)F)n1 ZINC000587094136 IJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C(F)(F)F)n1 ZINC000587094137 IJ Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br ZINC000587094228 IJ Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1Br ZINC000587094229 IJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(Cl)cc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587094284 IJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(Cl)cc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587094285 IJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C(F)(F)F)n1 ZINC000587094378 IJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C(F)(F)F)n1 ZINC000587094379 IJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(Br)cc(Cl)c3[nH]2)C(F)(F)F)n1 ZINC000587094672 IJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(Br)cc(Cl)c3[nH]2)C(F)(F)F)n1 ZINC000587094673 IJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)C(F)(F)F)n1 ZINC000587094710 IJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)C(F)(F)F)n1 ZINC000587094711 IJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 ZINC000587094818 IJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)C(F)(F)F)n1 ZINC000587094866 IJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)C(F)(F)F)n1 ZINC000587094867 IJ Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)C(F)(F)F)n1 ZINC000587095147 IJ Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)C(F)(F)F)n1 ZINC000587095148 IJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 ZINC000587095264 IJ Annotated Anodyne Nc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095338 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2c1 ZINC000587095502 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2c1 ZINC000587095507 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(OC)cc3C(F)(F)F)nc2c1 ZINC000587095640 IJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](N1C(=O)c3ccccc3C1=O)C4)-c1ccccc1C2=O ZINC000587095966 IJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](N1C(=O)c3ccccc3C1=O)C4)-c1ccccc1C2=O ZINC000587095969 IJ Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1CCN1C(=O)c2ccccc2C1=O)-c1ccccc1C3=O ZINC000587096058 IJ Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc5c(c4)CCC(=O)N5)nc13)-c1ccccc1C2=O ZINC000587096077 IJ Annotated Anodyne Cc1ccc2c3c(cc([C@H]4C=C(C(=O)O)NN4c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587096259 IJ Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4C=C(C(=O)O)NN4c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587096260 IJ Annotated Anodyne Cc1ccc2c3c(cc(CCCN4C(=O)c5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587096312 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587096398 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587096399 IJ Annotated Anodyne CC(=O)Nc1cc(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1[N+](=O)[O-] ZINC000587096496 IJ Annotated Bother CCOC(=O)CC[C@@H](C(=O)OCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096808 IJ Annotated Anodyne CCOC(=O)CC[C@H](C(=O)OCC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096810 IJ Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)Nc4ccc5nc(O)[nH]c5c4)nc13)-c1ccccc1C2=O ZINC000587097075 IJ Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H]4COCCN4C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000587097129 IJ Annotated Anodyne Cc1ccc2c3c(cc(C[C@H]4COCCN4C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000587097133 IJ Annotated Anodyne CCCN1C(=O)[C@@](O)(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000587097296 IJ Annotated Anodyne CCCN1C(=O)[C@](O)(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000587097302 IJ Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)c1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587097325 IJ Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)c1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587097329 IJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H](N1C(=O)c3ccccc3C1=O)CC4)-c1ccccc1C2=O ZINC000587097368 IJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H](N1C(=O)c3ccccc3C1=O)CC4)-c1ccccc1C2=O ZINC000587097370 IJ Annotated Anodyne COc1ccc([N+](=O)[O-])cc1[C@H](O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097417 IJ Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@@H](O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097418 IJ Annotated Bother CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)-c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587097802 IJ Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc(C)n2C)-c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587097803 IJ Annotated Anodyne COc1ccc(O)c(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 ZINC000587097906 IJ Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)OCc4ccc([N+](=O)[O-])cc4)nc13)-c1ccccc1C2=O ZINC000587097923 IJ Annotated Bother Cc1ccc2c3c(c4c(nc13)-c1cnc(N)nc1C[C@H]4c1ccco1)-c1ccccc1C2=O ZINC000587098162 IJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cnc(N)nc1C[C@@H]4c1ccco1)-c1ccccc1C2=O ZINC000587098174 IJ Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098191 IJ Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4C(=O)c5cccc([N+](=O)[O-])c5C4=O)nc13)-c1ccccc1C2=O ZINC000587098272 IJ Annotated Clean Cc1ccc2c3c(cc([C@H]4C(=O)c5cccc([N+](=O)[O-])c5C4=O)nc13)-c1ccccc1C2=O ZINC000587098278 IJ Annotated Clean COc1ccc(-c2nc3c(C)ccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c(O)c1 ZINC000587098386 IJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](OC1CN(C(=O)OC(C)(C)C)C1)C4)-c1ccccc1C2=O ZINC000587098501 IJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](OC1CN(C(=O)OC(C)(C)C)C1)C4)-c1ccccc1C2=O ZINC000587098502 IJ Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(N5CCC(O)CC5)ccc4N)nc13)-c1ccccc1C2=O ZINC000587098755 IJ Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(N5C[C@@H](C(=O)O)CC5=O)c4)nc13)-c1ccccc1C2=O ZINC000587098965 IJ Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(N5C[C@H](C(=O)O)CC5=O)c4)nc13)-c1ccccc1C2=O ZINC000587098972 IJ Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(N5CCCS5(=O)=O)c4)nc13)-c1ccccc1C2=O ZINC000587100975 IJ Annotated Anodyne Cc1oc2nc(Br)nn2c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587100986 IJ Annotated Anodyne C=CCNS(=O)(=O)c1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1 ZINC000587101080 IJ Annotated Mild Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc5c(c4)OCCO5)nc13)-c1ccccc1C2=O ZINC000587101226 IJ Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(S(=O)(=O)N(C)C)c4)nc13)-c1ccccc1C2=O ZINC000587101251 IJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@]1(CS(=O)(=O)O)CC[C@H]4C1(C)C)-c1ccccc1C2=O ZINC000587101397 IJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(CS(=O)(=O)O)CC[C@@H]4C1(C)C)-c1ccccc1C2=O ZINC000587101403 IJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(CS(=O)(=O)O)CC[C@H]4C1(C)C)-c1ccccc1C2=O ZINC000587101406 IJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@](O)(c1ccc3c(c1)OCO3)C4)-c1ccccc1C2=O ZINC000587101642 IJ Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@](O)(c1ccc3c(c1)OCO3)C4)-c1ccccc1C2=O ZINC000587101643 IJ Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(N5CCCS5(=O)=O)cc4)nc13)-c1ccccc1C2=O ZINC000587102003 IJ Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587102136 IJ Annotated Anodyne COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1S(C)(=O)=O ZINC000587102396 IJ Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)N(C)C)cc4)nc13)-c1ccccc1C2=O ZINC000587102885 IJ Annotated Anodyne C=CCNS(=O)(=O)c1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 ZINC000587102959 IJ Annotated Mild CCOC(=O)c1ccc(NC(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587103338 IJ Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1CS(C)(=O)=O ZINC000587103340 IJ Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Cl)c(S(N)(=O)=O)c4)nc13)-c1ccccc1C2=O ZINC000587103542 IJ Annotated Anodyne Cc1cc(C)c(S(N)(=O)=O)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587103662 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103759 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@H]1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103761 IJ Annotated Anodyne CCOC(=O)C(=NOCc1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103850 IJ Annotated Mild CC(C)(C)OC(=O)N1CC(O[C@H]2Cc3c2nc2cccc4c2c3-c2ccccc2C4=O)C1 ZINC000587103927 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC(O[C@@H]2Cc3c2nc2cccc4c2c3-c2ccccc2C4=O)C1 ZINC000587103931 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C=C(OS(=O)(=O)C(F)(F)F)CC3 ZINC000587104078 IJ Annotated Unstable O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000587104118 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](N1C(=O)c2ccccc2C1=O)C3 ZINC000587104179 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](N1C(=O)c2ccccc2C1=O)C3 ZINC000587104183 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H](CN1C(=O)c2ccccc2C1=O)C3 ZINC000587104416 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H](CN1C(=O)c2ccccc2C1=O)C3 ZINC000587104419 IJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1nc2cccc3c2c(c1CCCO)-c1ccccc1C3=O ZINC000587104934 IJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(N4C[C@@H](C(=O)O)CC4=O)c3)nc3cccc1c23 ZINC000587105018 IJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(N4C[C@H](C(=O)O)CC4=O)c3)nc3cccc1c23 ZINC000587105020 IJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc3cccc1c23 ZINC000587105037 IJ Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@H](O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105051 IJ Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@@H](O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105053 IJ Annotated Bother O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](N1C(=O)c2ccccc2C1=O)CC3 ZINC000587105119 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](N1C(=O)c2ccccc2C1=O)CC3 ZINC000587105120 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1CCCN1C(=O)c2ccccc2C1=O)-c1ccccc1C3=O ZINC000587105123 IJ Annotated Anodyne COc1cc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])cc1OC ZINC000587105178 IJ Annotated Bother CC(=O)Nc1cc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1[N+](=O)[O-] ZINC000587105202 IJ Annotated Bother O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](N1C(=O)c2ccccc2C1=O)CCC3 ZINC000587105203 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](N1C(=O)c2ccccc2C1=O)CCC3 ZINC000587105204 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC(=O)[C@H](n1cncn1)[C@H]3c1ccccc1 ZINC000587105211 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC(=O)[C@H](n1cncn1)[C@@H]3c1ccccc1 ZINC000587105212 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC(=O)[C@@H](n1cncn1)[C@H]3c1ccccc1 ZINC000587105213 IJ Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC(=O)[C@@H](n1cncn1)[C@@H]3c1ccccc1 ZINC000587105214 IJ Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3cccc4c3c(c2[C@@H]1c1ccccc1)-c1ccccc1C4=O ZINC000587105877 IJ Annotated Anodyne CCOC(=O)[C@H]1C(=O)Cc2nc3cccc4c3c(c2[C@H]1c1ccccc1)-c1ccccc1C4=O ZINC000587105885 IJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3cccc4c3c(c2[C@@H]1c1ccccc1)-c1ccccc1C4=O ZINC000587105886 IJ Annotated Anodyne CCOC(=O)[C@@H]1C(=O)Cc2nc3cccc4c3c(c2[C@H]1c1ccccc1)-c1ccccc1C4=O ZINC000587105887 IJ Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105931 IJ Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1ccccc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105933 IJ Annotated Anodyne COc1cc(CC(=O)O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1OC ZINC000587105949 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccncc2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587106028 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccncc2)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O ZINC000587106029 IJ Annotated Anodyne Cc1c(F)ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587106455 IJ Annotated Anodyne Cc1c(F)ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587106456 IJ Annotated Anodyne O=C(O)Cc1c(-c2ccc3c(c2)CCC(=O)N3)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107158 IJ Annotated Anodyne FC(F)(F)c1ccccc1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587107348 IJ Annotated Anodyne COc1ccc(OC)c(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 ZINC000587107352 IJ Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccc3ncccc3c2[nH]1 ZINC000587107581 IJ Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccc3ncccc3c2[nH]1 ZINC000587107583 IJ Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587107611 IJ Annotated Bother CC1(C)C(=O)Nc2ccc(-c3nc4cccc5c4c(c3CC(=O)O)-c3ccccc3C5=O)cc21 ZINC000587107677 IJ Annotated Anodyne CCCN1C(=O)[C@@](O)(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000587107870 IJ Annotated Anodyne CCCN1C(=O)[C@](O)(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21 ZINC000587107873 IJ Annotated Anodyne C=CCc1cccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587108005 IJ Annotated Mild C=CCc1cccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12 ZINC000587108007 IJ Annotated Mild O=C1c2ccccc2-c2cc(Cc3nc(-c4ccc5c(c4)OCO5)no3)nc3cccc1c23 ZINC000587108077 IJ Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587108594 IJ Annotated Clean O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587108701 IJ Annotated Bother O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587108722 IJ Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587108724 IJ Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587108856 IJ Annotated Bother N#Cc1cc(Br)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 ZINC000587108872 IJ Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587108999 IJ Annotated Bother COC(=O)c1cc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1OC ZINC000587109154 IJ Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(I)cc2[nH]1 ZINC000587109303 IJ Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587109382 IJ Annotated Mild O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cccc(I)c2[nH]1 ZINC000587109396 IJ Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cccc(I)c2[nH]1 ZINC000587109455 IJ Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587109461 IJ Annotated Clean O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587109535 IJ Annotated Bother O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587109543 IJ Annotated Bother O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000587109563 IJ Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cnc3ccccc3c2[nH]1 ZINC000587109564 IJ Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(I)cc2[nH]1 ZINC000587109780 IJ Annotated Bother O=C(O)c1cc(Br)cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 ZINC000587109856 IJ Annotated Bother COC(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1OC ZINC000587110020 IJ Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587110030 IJ Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587110127 IJ Annotated Bother Nc1ccc(-c2ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3c2)cc1N ZINC000587110257 IJ Annotated Bother FC(F)(F)c1cc(Cc2nc3nc(Br)c[nH]c-3n2)cc(C(F)(F)F)c1 ZINC000587110279 IJ Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccc(I)c2[nH]1 ZINC000587110323 IJ Annotated Bother FC(F)(F)c1cc(CCc2nc3nc(Br)c[nH]c-3n2)cc(C(F)(F)F)c1 ZINC000587110422 IJ Annotated Anodyne O=C1COc2cc3[nH]c(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)nc3cc2N1 ZINC000587110569 IJ Annotated Anodyne O=c1c(-c2nc3ncccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110619 IJ Annotated Anodyne O=c1c(-c2nc3ccncc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110691 IJ Annotated Anodyne O=S(=O)(O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110707 IJ Annotated Anodyne Nc1nc(O)c2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2n1 ZINC000587111165 IJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)nc-2[nH]1 ZINC000587111200 IJ Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)n2)cc1 ZINC000587111201 IJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587111449 IJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587111450 IJ Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4cc(I)cnc4[nH]3)cc2c1 ZINC000587111680 IJ Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(I)cnc2[nH]1 ZINC000587111714 IJ Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(I)cnc2[nH]1 ZINC000587111717 IJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587112089 IJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587112090 IJ Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587112240 IJ Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587112242 IJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587112460 IJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587112462 IJ Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587112529 IJ Annotated Clean CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(Br)c2[nH]1 ZINC000587112560 IJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(Br)c2[nH]1 ZINC000587112563 IJ Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587112768 IJ Annotated Anodyne O=C(CSCc1nc2ccnc(Br)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113399 IJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587113618 IJ Annotated Bother CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587113619 IJ Annotated Bother CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)cc2[nH]1 ZINC000587113669 IJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Br)cc2[nH]1 ZINC000587113671 IJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587113698 IJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587113700 IJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587113726 IJ Annotated Anodyne O=C(CSCc1nc2ccc(Br)nc2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113835 IJ Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)n2)cc1 ZINC000587113858 IJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587113988 IJ Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587113991 IJ Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587113999 IJ Annotated Anodyne FC(F)(F)Sc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587114035 IJ Annotated Anodyne O=C(CSCc1nc2cncc(Br)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114422 IJ Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(C)nc(C)c4[nH]3)cc2)c1C(F)(F)F ZINC000587114472 IJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 ZINC000587114533 IJ Annotated Anodyne Oc1c(Br)ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587114534 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(=O)O)cc4[nH]3)nc2n1 ZINC000587114559 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5c(cc4[nH]3)OCCO5)nc2n1 ZINC000587114792 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(=O)OC)cc4[nH]3)nc2n1 ZINC000587114815 IJ Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)c1C(F)(F)F ZINC000587114841 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc([N+](=O)[O-])c4[nH]3)nc2n1 ZINC000587114843 IJ Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5nc(O)[nH]c5cc4[nH]3)nc2n1 ZINC000587115043 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(C(=O)OC)c4[nH]3)nc2n1 ZINC000587115046 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C#N)c(C#N)cc4[nH]3)nc2n1 ZINC000587115103 IJ Annotated Mild CCOC(=O)c1cnn(-c2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587115250 IJ Annotated Anodyne FC(F)(F)c1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(Br)cn1 ZINC000587115260 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(CCO)cc4[nH]3)nc2n1 ZINC000587115275 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 ZINC000587115335 IJ Annotated Anodyne Cc1nc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2cc1Br ZINC000587115339 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc([C@@H](N)N=O)cc4[nH]3)nc2n1 ZINC000587115448 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc([C@H](N)N=O)cc4[nH]3)nc2n1 ZINC000587115449 IJ Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Cl)ncc(C)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115475 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5c(cc4[nH]3)OCO5)nc2n1 ZINC000587115482 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(C(=O)O)c4[nH]3)nc2n1 ZINC000587115489 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5cn[nH]c5cc4[nH]3)nc2n1 ZINC000587115501 IJ Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc([N+](=O)[O-])cc4[nH]3)nc2n1 ZINC000587115507 IJ Annotated Bother CCOC(=O)Cc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 ZINC000587115807 IJ Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2cccc(I)c2[nH]1 ZINC000587116033 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116087 IJ Annotated Bother Fc1cc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2cc1-n1cccn1 ZINC000587116158 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116176 IJ Annotated Bother CCOC(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116245 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587116277 IJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c21 ZINC000587116365 IJ Annotated Clean Fc1cnc(Br)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 ZINC000587116430 IJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116462 IJ Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc(I)cc2[nH]1 ZINC000587116498 IJ Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc4c(cc3[nH]2)OCCCO4)c(C2CC2)c1Cl ZINC000587116609 IJ Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccnc(N)c2[nH]1 ZINC000587116723 IJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccnc(N)c2[nH]1 ZINC000587116724 IJ Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cncc(Br)c3[nH]2)c(C2CC2)c1Cl ZINC000587116858 IJ Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(Br)ncc3[nH]2)c(C2CC2)c1Cl ZINC000587116890 IJ Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587116917 IJ Annotated Bother CCOC(=O)Cc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116969 IJ Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccnc(O)c2[nH]1 ZINC000587117088 IJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccnc(O)c2[nH]1 ZINC000587117095 IJ Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccnc(Br)c3[nH]2)c(C2CC2)c1Cl ZINC000587117160 IJ Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(ccc5ncccc54)[nH]3)cc2)nc1C(F)(F)F ZINC000587117196 IJ Annotated Bother FC(F)(F)c1ccn(CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)n1 ZINC000587117203 IJ Annotated Anodyne FC1(F)Oc2cc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c3cc2O1 ZINC000587117251 IJ Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(Br)nc3[nH]2)c(C2CC2)c1Cl ZINC000587117306 IJ Annotated Anodyne COC(=O)c1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587117408 IJ Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cccc(Br)c3[nH]2)cc1Br ZINC000587117436 IJ Annotated Anodyne Fc1c(Cl)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1F ZINC000587117448 IJ Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ccc(Br)cc3[nH]2)cc1Br ZINC000587117450 IJ Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587117479 IJ Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587117508 IJ Annotated Anodyne FC(F)(F)Oc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587117537 IJ Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cnncc2[nH]1 ZINC000587117630 IJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cnncc2[nH]1 ZINC000587117631 IJ Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)n1 ZINC000587117689 IJ Annotated Mild Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587117696 IJ Annotated Bother FC(F)(F)c1ccn(CCc2nc3c(Br)ccc(Br)c3[nH]2)n1 ZINC000587117759 IJ Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(Br)ccnc3[nH]2)c(C2CC2)c1Cl ZINC000587117872 IJ Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(Br)cnc3[nH]2)c(C2CC2)c1Cl ZINC000587117941 IJ Annotated Anodyne FC(F)(F)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587117965 IJ Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(cnc5ccccc54)[nH]3)cc2)nc1C(F)(F)F ZINC000587117967 IJ Annotated Bother FC(F)(F)Oc1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587118035 IJ Annotated Anodyne Fc1cc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2cc1-n1cccn1 ZINC000587118046 IJ Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)n1 ZINC000587118079 IJ Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)no2)n1 ZINC000587118154 IJ Annotated Bother Cc1c(Br)cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1C ZINC000587118162 IJ Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)n1 ZINC000587118177 IJ Annotated Anodyne Nc1ccc(Oc2ccc3[nH]c(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)nc3c2)cc1 ZINC000587118183 IJ Annotated Clean O=C(c1ccccc1)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587118195 IJ Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)no2)n1 ZINC000587118272 IJ Annotated Bother FC(F)(F)c1cc(Br)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 ZINC000587118302 IJ Annotated Anodyne FC(F)(F)Oc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587118308 IJ Annotated Anodyne Cc1cc(Br)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1 ZINC000587118326 IJ Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3cc(Br)c(Br)cc3[nH]2)n1 ZINC000587118357 IJ Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587118448 IJ Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587118458 IJ Annotated Mild O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)c(F)c(F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118496 IJ Annotated Bother Fc1cc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2cc1C(F)(F)F ZINC000587118621 IJ Annotated Mild FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Br)cc(Cl)cc4[nH]3)no2)n1 ZINC000587118766 IJ Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Cl)cc(Br)cc4[nH]3)no2)n1 ZINC000587118772 IJ Annotated Anodyne Fc1c(Br)cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1F ZINC000587118778 IJ Annotated Anodyne CCCCOc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587118783 IJ Annotated Anodyne Cc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Br ZINC000587118805 IJ Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ncc[nH]c-2n1 ZINC000587118806 IJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ncc[nH]c-2n1 ZINC000587118809 IJ Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587118904 IJ Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587118930 IJ Annotated Bother Cc1cnc(Cl)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c12 ZINC000587118932 IJ Annotated Bother FC(F)(F)Oc1cc(Br)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587118934 IJ Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587119015 IJ Annotated Bother Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587119039 IJ Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)ncc(F)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587119073 IJ Annotated Bother FC(F)(F)c1nn(CCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1Br ZINC000587119080 IJ Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587119124 IJ Annotated Bother COC(=O)c1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587119134 IJ Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587119152 IJ Annotated Bother CC(C)COc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587119321 IJ Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2c1CCCC2 ZINC000587119364 IJ Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cncnc2[nH]1 ZINC000587119405 IJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cncnc2[nH]1 ZINC000587119406 IJ Annotated Anodyne FC(F)(F)c1nn(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c2c1CCCC2 ZINC000587119458 IJ Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 ZINC000587119459 IJ Annotated Anodyne N#Cc1cc(Cl)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 ZINC000587119570 IJ Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(N)ncc2[nH]1 ZINC000587119732 IJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(N)ncc2[nH]1 ZINC000587119733 IJ Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(N)ccnc2[nH]1 ZINC000587119778 IJ Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(N)ccnc2[nH]1 ZINC000587119779 IJ Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc5c(cc4[nH]3)OCCO5)n2n1 ZINC000587119868 IJ Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1F ZINC000587119979 IJ Annotated Anodyne COc1cc(OC)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587119981 IJ Annotated Anodyne FC(F)(F)c1nn(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c2c1CCCC2 ZINC000587120024 IJ Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587120032 IJ Annotated Mild N[C@@H](N=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 ZINC000587120077 IJ Annotated Anodyne N[C@H](N=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 ZINC000587120078 IJ Annotated Anodyne O=C(O)c1cc(F)cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587120090 IJ Annotated Anodyne Fc1c(Br)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1F ZINC000587120102 IJ Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)n2n1 ZINC000587120120 IJ Annotated Anodyne N#Cc1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1C#N ZINC000587120130 IJ Annotated Mild FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587120162 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 ZINC000587120208 IJ Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587120240 IJ Annotated Bother Nc1ccc(-c2ccc3nc(Cn4nc(C(F)(F)F)c5c4CCCC5)[nH]c3c2)cc1N ZINC000587120278 IJ Annotated Anodyne COc1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1OC ZINC000587120299 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587120461 IJ Annotated Bother FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587120544 IJ Annotated Anodyne O=C1CCc2cc3[nH]c(-c4cc(-c5ccccc5)nc5cc(C(F)(F)F)nn45)nc3cc2N1 ZINC000587120548 IJ Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(I)cc2[nH]1 ZINC000587120566 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 ZINC000587120603 IJ Annotated Bother FC(F)(F)c1nc2ccc(-c3nc4cccc(I)c4[nH]3)cc2[nH]1 ZINC000587120869 IJ Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cccc(I)c2[nH]1 ZINC000587120872 IJ Annotated Anodyne Oc1nc2cc3[nH]c(-c4cc(-c5ccccc5)nc5cc(C(F)(F)F)nn45)nc3cc2[nH]1 ZINC000587120886 IJ Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4c(C(F)(F)F)n[nH]c4C(F)(F)F)[nH]c3c2)cc1N ZINC000587120902 IJ Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4ccc(I)cc4[nH]3)cc2[nH]1 ZINC000587120930 IJ Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587121433 IJ Annotated Anodyne CN1CCN(c2ccc3nc(CSCc4cccc(OC(F)(F)F)c4)[nH]c3c2)CC1 ZINC000587121560 IJ Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587121590 IJ Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587121619 IJ Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)nc12 ZINC000587121647 IJ Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587121828 IJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4cc(OC(F)(F)F)ccc4nc3C)nc2cc1OC ZINC000587121841 IJ Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587121979 IJ Annotated Anodyne FC(F)COc1cccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)n1 ZINC000587122059 IJ Annotated Anodyne COC(=O)c1cc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2cc1OC ZINC000587122065 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587122127 IJ Annotated Bother COC(=O)c1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c1OC ZINC000587122240 IJ Annotated Anodyne FC(F)COc1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)n1 ZINC000587122248 IJ Annotated Anodyne FC(F)COc1cccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)n1 ZINC000587122257 IJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587122334 IJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587122336 IJ Annotated Anodyne FC(F)COc1cccc(-c2nc3cc(Br)c(Br)cc3[nH]2)n1 ZINC000587122687 IJ Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587122788 IJ Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587122883 IJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587122884 IJ Annotated Anodyne Cc1cc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587122904 IJ Annotated Anodyne Cc1cc(-c2nc3c(Br)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587122975 IJ Annotated Anodyne O=[N+]([O-])c1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587123014 IJ Annotated Bother Cc1cc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123120 IJ Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2N1 ZINC000587123183 IJ Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2N1 ZINC000587123184 IJ Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2N1 ZINC000587123187 IJ Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2N1 ZINC000587123192 IJ Annotated Anodyne Cc1cc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123244 IJ Annotated Mild Cc1cc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123537 IJ Annotated Anodyne Cc1cc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123739 IJ Annotated Anodyne Cc1cc(-c2nc3c(C)c(Br)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123845 IJ Annotated Anodyne Cc1cc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124034 IJ Annotated Mild Cc1cc(Br)c2nc(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)[nH]c2c1 ZINC000587124145 IJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c(F)c1Nc1ccccc1 ZINC000587124284 IJ Annotated Anodyne CN(C)CCOc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 ZINC000587124317 IJ Annotated Anodyne CC1=C(c2ccc3nc(CSCc4cccc(OC(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 ZINC000587124354 IJ Annotated Anodyne Cc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cc1Br ZINC000587124858 IJ Annotated Anodyne FC(F)COc1cccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)n1 ZINC000587125105 IJ Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cc2N1 ZINC000587125320 IJ Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cc2N1 ZINC000587125323 IJ Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cc2N1 ZINC000587125325 IJ Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cc2N1 ZINC000587125327 IJ Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cc2N1 ZINC000587125786 IJ Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cc2N1 ZINC000587125787 IJ Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cc2N1 ZINC000587125788 IJ Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cc2N1 ZINC000587125789 IJ Annotated Anodyne Cc1cc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125832 IJ Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)cc2N1 ZINC000587125981 IJ Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)cc2N1 ZINC000587125988 IJ Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)cc2N1 ZINC000587125991 IJ Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)cc2N1 ZINC000587125992 IJ Annotated Anodyne Cc1cc(-c2nc3c(C)cc(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126366 IJ Annotated Anodyne Cc1cc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126555 IJ Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4ncc(Br)c(Cl)c4[nH]3)n[nH]c2c1 ZINC000587126653 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587126990 IJ Annotated Bother FC(F)(F)Oc1ccc2c(-c3nc4cc(I)ccc4[nH]3)n[nH]c2c1 ZINC000587126995 IJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc21 ZINC000587127033 IJ Annotated Clean O=S(=O)(c1ncccc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587127084 IJ Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1)C(F)(F)F ZINC000587127209 IJ Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc2N1 ZINC000587127245 IJ Annotated Mild C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc2N1 ZINC000587127246 IJ Annotated Mild C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc2N1 ZINC000587127247 IJ Annotated Mild C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc2N1 ZINC000587127248 IJ Annotated Mild C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cc2N1 ZINC000587127280 IJ Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cc2N1 ZINC000587127281 IJ Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cc2N1 ZINC000587127282 IJ Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cc2N1 ZINC000587127283 IJ Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4c(Cl)ncc(Br)c4[nH]3)n[nH]c2c1 ZINC000587127418 IJ Annotated Anodyne FC(F)(F)Oc1ccc2c(-c3nc4c(I)cccc4[nH]3)n[nH]c2c1 ZINC000587127426 IJ Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587127534 IJ Annotated Anodyne C[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587127987 IJ Annotated Bother C[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587127988 IJ Annotated Bother Cn1nnc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1C(F)F ZINC000587128063 IJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 ZINC000587128444 IJ Annotated Anodyne C[C@@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128495 IJ Annotated Anodyne C[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128496 IJ Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 ZINC000587128857 IJ Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 ZINC000587128858 IJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccccc5[nH]4)c3n2)cnn1C ZINC000587128863 IJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(O)c5[nH]4)c3n2)cnn1C ZINC000587128975 IJ Annotated Anodyne Cn1nc(-c2nc3nccc(Cl)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129071 IJ Annotated Anodyne Cn1nc(-c2nc3c(Cl)cncc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129136 IJ Annotated Anodyne CCCCOc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1Br ZINC000587129482 IJ Annotated Anodyne C[C@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129497 IJ Annotated Anodyne C[C@@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129498 IJ Annotated Anodyne C[C@@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129698 IJ Annotated Anodyne C[C@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129702 IJ Annotated Anodyne COc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1F ZINC000587129791 IJ Annotated Anodyne Cn1nc(-c2nc3ncc(Cl)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129800 IJ Annotated Anodyne Cn1nc(-c2nc3cc4[nH]ncc4cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129948 IJ Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC(F)(F)C1 ZINC000587129996 IJ Annotated Anodyne CC(C)COc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1Br ZINC000587130046 IJ Annotated Anodyne Cn1nc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130059 IJ Annotated Bother Cn1nc(-c2nc3cc4c(cc3[nH]2)OCO4)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130067 IJ Annotated Anodyne Cn1nc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130098 IJ Annotated Anodyne Cn1nc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130101 IJ Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2cc1OC ZINC000587130213 IJ Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2cc1OC ZINC000587130214 IJ Annotated Anodyne Cc1nccc2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc12 ZINC000587130238 IJ Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC(F)(F)C1 ZINC000587130400 IJ Annotated Anodyne CCCOc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1Br ZINC000587130480 IJ Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC(F)(F)C1 ZINC000587130484 IJ Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC(F)(F)C1 ZINC000587130496 IJ Annotated Anodyne Cc1cncc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c12 ZINC000587130523 IJ Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1OC ZINC000587130565 IJ Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1OC ZINC000587130566 IJ Annotated Anodyne Cn1nc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130649 IJ Annotated Mild Cc1ccnc2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc12 ZINC000587130835 IJ Annotated Anodyne Cc1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2n1 ZINC000587130848 IJ Annotated Anodyne Cn1nc(-c2nc3c(Cl)nccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130876 IJ Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(O)cc5[nH]4)c3n2)cnn1C ZINC000587130920 IJ Annotated Anodyne Cc1cnc2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2c1 ZINC000587130939 IJ Annotated Anodyne Cn1nc(-c2nc3cc4c(cc3[nH]2)OCCO4)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130973 IJ Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(OC(C)C)c(Br)cc3[nH]2)CC(F)(F)C1 ZINC000587131036 IJ Annotated Anodyne Cn1nc(-c2nc3cnc(Cl)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131039 IJ Annotated Anodyne Cn1nc(-c2nc3nc(Cl)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131063 IJ Annotated Anodyne Cn1nc(-c2nc3c(Cl)ncc(F)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131118 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C4(C(=O)OC(C)C)CC(F)(F)C4)[nH]c3c2)cc1 ZINC000587131625 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000587131668 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000587131669 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C(F)(F)C1 ZINC000587131873 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)C(F)(F)C1 ZINC000587131874 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C(F)(F)C1 ZINC000587131875 IJ Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C(F)(F)C1 ZINC000587131876 IJ Annotated Mild CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C(F)(F)C1 ZINC000587131963 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)C(F)(F)C1 ZINC000587131964 IJ Annotated Anodyne Cc1c(Br)cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1C ZINC000587132036 IJ Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1C ZINC000587132037 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C(F)(F)C1 ZINC000587132148 IJ Annotated Bother CC(C)(C)OC(=O)N1C[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C(F)(F)C1 ZINC000587132149 IJ Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C(F)(F)C1 ZINC000587132160 IJ Annotated Clean CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C(F)(F)C1 ZINC000587132161 IJ Annotated Clean O=C(O)c1cc(Br)cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587132220 IJ Annotated Anodyne O=C(O)c1cc(Br)cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587132221 IJ Annotated Anodyne O=C(c1nc2cc(I)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132411 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C(F)(F)C1 ZINC000587132502 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C(F)(F)C1 ZINC000587132503 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C(F)(F)C1 ZINC000587133098 IJ Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C(F)(F)C1 ZINC000587133099 IJ Annotated Bother CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C(F)(F)C1 ZINC000587133113 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)C(F)(F)C1 ZINC000587133114 IJ Annotated Anodyne COC(=O)c1cc(Br)c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2c1 ZINC000587133373 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(F)c(OC)c5N)[nH]c4c3)o2)cc1 ZINC000587133380 IJ Annotated Anodyne O=C(c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133440 IJ Annotated Anodyne O=C(c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133455 IJ Annotated Bother O=C(c1nc2c(I)cccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133576 IJ Annotated Anodyne O=C(c1nc2c(C(=O)O)cc(Br)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133683 IJ Annotated Anodyne O=C(c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133690 IJ Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587133782 IJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587133783 IJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c21 ZINC000587134196 IJ Annotated Clean COC(=O)c1cc(Br)c2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2c1 ZINC000587135350 IJ Annotated Anodyne O=S(=O)(c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1)C(F)(F)F ZINC000587135383 IJ Annotated Mild O=S(=O)(c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1)C(F)(F)F ZINC000587135384 IJ Annotated Mild Cc1c(F)cccc1-c1cc(-c2nc3nc(Br)c[nH]c-3n2)cc([N+](=O)[O-])c1 ZINC000587135545 IJ Annotated Bother O=S(=O)(NCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(F)c(F)c1F ZINC000587135710 IJ Annotated Bother Fc1cc(F)c(-c2nc3ccc(I)cc3[nH]2)cc1Br ZINC000587135718 IJ Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3cccc(I)c3[nH]2)c(N)cc1F ZINC000587135835 IJ Annotated Anodyne O=S(=O)(NCc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587135997 IJ Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1F ZINC000587136049 IJ Annotated Anodyne COC(=O)c1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587136131 IJ Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(Cl)cc(Br)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136328 IJ Annotated Bother Nc1c(F)c(F)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1F ZINC000587136455 IJ Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3ccc(I)cc3[nH]2)c(N)cc1F ZINC000587136503 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(OC(C)(C)C)c(F)cc3N)nc2c1 ZINC000587136505 IJ Annotated Anodyne Fc1cc(F)c(-c2nc3cccc(I)c3[nH]2)cc1Br ZINC000587136656 IJ Annotated Anodyne Nc1cc(F)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1N ZINC000587136660 IJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(Cl)c(Br)cc3F)nc-2[nH]1 ZINC000587136756 IJ Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136925 IJ Annotated Bother CC(C)(C)Oc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(N)cc1F ZINC000587136963 IJ Annotated Clean Cc1cc(N(C)Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136994 IJ Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(F)c(F)c(N)c5F)[nH]c4c3)o2)cc1 ZINC000587137257 IJ Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1F ZINC000587137275 IJ Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(Br)cc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137334 IJ Annotated Bother Cc1cc(Br)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1F ZINC000587137705 IJ Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 ZINC000587137737 IJ Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 ZINC000587137742 IJ Annotated Bother O=C(O)c1cc(Br)cc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 ZINC000587137870 IJ Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(Cl)c(Br)cc4F)[nH]c3c2)NNC(=O)C1 ZINC000587137954 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)c(F)cc3F)nc2c1 ZINC000587137984 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(F)c(C)cc3Br)nc2c1 ZINC000587138106 IJ Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1OC ZINC000587138230 IJ Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)ccc2F)cc1F ZINC000587138376 IJ Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c(F)c2)c1 ZINC000587138474 IJ Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1OC ZINC000587138617 IJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc2cc1OC ZINC000587138681 IJ Annotated Anodyne Fc1cc(CCc2nc3c(Br)cnc(Br)c3[nH]2)cc(F)c1F ZINC000587139288 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2c1 ZINC000587139640 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2c1 ZINC000587139662 IJ Annotated Bother O=S(=O)(Nc1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1)c1cc(F)ccc1F ZINC000587139894 IJ Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1 ZINC000587140568 IJ Annotated Mild CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587140644 IJ Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587140645 IJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587140649 IJ Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587140650 IJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587140678 IJ Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587140679 IJ Annotated Anodyne COc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1C ZINC000587140759 IJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587141530 IJ Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587141531 IJ Annotated Anodyne Cc1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2cc1[N+](=O)[O-] ZINC000587141603 IJ Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587141939 IJ Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587141940 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cnccc2[nH]1 ZINC000587142192 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccnc2[nH]1 ZINC000587142252 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccnc(O)c2[nH]1 ZINC000587142332 IJ Annotated Anodyne N[C@@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(Br)cc1F ZINC000587142444 IJ Annotated Anodyne N[C@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(Br)cc1F ZINC000587142445 IJ Annotated Anodyne N[C@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142479 IJ Annotated Anodyne N[C@@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587142480 IJ Annotated Anodyne Cc1c(Br)ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587142516 IJ Annotated Anodyne Cc1c(Br)ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587142517 IJ Annotated Anodyne Cc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142555 IJ Annotated Anodyne Cc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142556 IJ Annotated Anodyne Cc1cc(Br)cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587142665 IJ Annotated Anodyne Cc1cc(Br)cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587142666 IJ Annotated Anodyne N[C@@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(Br)cc1F ZINC000587142695 IJ Annotated Anodyne N[C@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(Br)cc1F ZINC000587142696 IJ Annotated Anodyne N[C@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(Br)cc1F ZINC000587142907 IJ Annotated Anodyne N[C@@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(Br)cc1F ZINC000587142908 IJ Annotated Anodyne N[C@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142925 IJ Annotated Anodyne N[C@@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142926 IJ Annotated Anodyne N[C@@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(Br)cc1F ZINC000587142992 IJ Annotated Anodyne N[C@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(Br)cc1F ZINC000587142993 IJ Annotated Anodyne N#Cc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1C(F)(F)F ZINC000587143060 IJ Annotated Mild N#Cc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1C(F)(F)F ZINC000587143061 IJ Annotated Mild Cc1cc(Br)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587143135 IJ Annotated Anodyne Cc1cc(Br)c2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2c1 ZINC000587143136 IJ Annotated Anodyne COc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143335 IJ Annotated Anodyne COc1cc(-c2nc3ccnc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143375 IJ Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccnc(Br)c3[nH]2)cc1F ZINC000587143676 IJ Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(F)c1 ZINC000587143859 IJ Annotated Bother N[C@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587143938 IJ Annotated Anodyne N[C@@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587143941 IJ Annotated Anodyne N[C@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(Br)cc1F ZINC000587143951 IJ Annotated Anodyne N[C@@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(Br)cc1F ZINC000587143953 IJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)nc2cc1OC ZINC000587144039 IJ Annotated Anodyne Nc1ccc(-c2ccc3nc(C[C@H](N)c4ccc(Br)cc4F)[nH]c3c2)cc1N ZINC000587144049 IJ Annotated Anodyne Nc1ccc(-c2ccc3nc(C[C@@H](N)c4ccc(Br)cc4F)[nH]c3c2)cc1N ZINC000587144050 IJ Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cncc(Br)c4[nH]3)cc2F)c1 ZINC000587144097 IJ Annotated Anodyne COc1cc(-c2nc3cncc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144180 IJ Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3c(Br)ccnc3[nH]2)cc1F ZINC000587144199 IJ Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)ncc3[nH]2)cc1F ZINC000587144253 IJ Annotated Anodyne N[C@H](Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144264 IJ Annotated Anodyne N[C@@H](Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144266 IJ Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1F ZINC000587144268 IJ Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2c1OC ZINC000587144339 IJ Annotated Anodyne Cc1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144373 IJ Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)cc2F)c1 ZINC000587144412 IJ Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccnc(Br)c4[nH]3)cc2F)c1 ZINC000587144416 IJ Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc2c1OC ZINC000587144544 IJ Annotated Anodyne Fc1cc(Cc2nc3cc(I)cnc3[nH]2)ccc1-c1ccccc1 ZINC000587144894 IJ Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(F)c1 ZINC000587145090 IJ Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(Br)nc3[nH]2)cc1F ZINC000587145274 IJ Annotated Anodyne N[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)cc1F ZINC000587145279 IJ Annotated Bother N[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Br)cc1F ZINC000587145280 IJ Annotated Bother COc1ccc(C(=O)c2ccccc2-c2nc3cncc(Br)c3[nH]2)cc1F ZINC000587145286 IJ Annotated Anodyne N[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1F ZINC000587145308 IJ Annotated Bother N[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(Br)cc1F ZINC000587145309 IJ Annotated Bother CCOC(=O)Cc1ccc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2c1 ZINC000587145434 IJ Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3c(F)cnc(Br)c3[nH]2)cc1F ZINC000587145509 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3ccc(C)c(F)c3)[nH]c2c1 ZINC000587146156 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3ccc(C)c(F)c3)[nH]c2c1 ZINC000587146157 IJ Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c(F)c2)c1 ZINC000587146932 IJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Cl)nc(C#N)c4[nH]3)cc2)cc1F ZINC000587146967 IJ Annotated Mild Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000587147054 IJ Annotated Bother Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 ZINC000587147074 IJ Annotated Mild COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c(F)c2)c1 ZINC000587147097 IJ Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cncc(Br)c4[nH]3)c(F)c2)c1 ZINC000587147131 IJ Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587147145 IJ Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)c(F)c(Br)cc2[nH]1 ZINC000587147239 IJ Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(I)ccc2[nH]1 ZINC000587147292 IJ Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587147351 IJ Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c(F)c2)c1 ZINC000587147364 IJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(F)cnc(Cl)c4[nH]3)cc2)cc1F ZINC000587147401 IJ Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(I)cccc2[nH]1 ZINC000587147437 IJ Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 ZINC000587147439 IJ Annotated Bother COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)nc4[nH]3)c(F)c2)c1 ZINC000587147505 IJ Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccnc(Br)c4[nH]3)c(F)c2)c1 ZINC000587147596 IJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(OC)cc(OC)c4[nH]3)cc2)cc1F ZINC000587147993 IJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(F)cc(C(=O)O)c4[nH]3)cc2)cc1F ZINC000587148044 IJ Annotated Anodyne O=C1C[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148253 IJ Annotated Anodyne O=C1C[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148258 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCc3ccccc3F)[nH]c2c1 ZINC000587148741 IJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@@H](Nc3ccccc3)c3ccccc3F)nc-2[nH]1 ZINC000587148766 IJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H](Nc3ccccc3)c3ccccc3F)nc-2[nH]1 ZINC000587148767 IJ Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1F ZINC000587148930 IJ Annotated Bother O=C1C[C@@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149100 IJ Annotated Anodyne O=C1C[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149106 IJ Annotated Anodyne O=C1C[C@@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149198 IJ Annotated Anodyne O=C1C[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149199 IJ Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587149336 IJ Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1F ZINC000587149366 IJ Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(COc4ccc([N+](=O)[O-])c(F)c4)[nH]c3c2)cc1 ZINC000587149394 IJ Annotated Bother CC1=C(c2ccc3nc([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587149435 IJ Annotated Anodyne CC1=C(c2ccc3nc([C@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587149436 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc2c1 ZINC000587149450 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc2c1 ZINC000587149451 IJ Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1F ZINC000587149509 IJ Annotated Bother O=C(c1ccccc1)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587149596 IJ Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587149603 IJ Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1C ZINC000587149635 IJ Annotated Anodyne Cc1c(Br)cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1C ZINC000587149636 IJ Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000587149678 IJ Annotated Clean O=C1C[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149679 IJ Annotated Anodyne O=C1C[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149680 IJ Annotated Anodyne O=C1C[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149700 IJ Annotated Anodyne O=C1C[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149701 IJ Annotated Anodyne CC1=C(c2ccc3nc([C@@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)NNC(=O)C1 ZINC000587149848 IJ Annotated Anodyne CC1=C(c2ccc3nc([C@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)NNC(=O)C1 ZINC000587149849 IJ Annotated Anodyne CN1CCN(c2ccc3nc([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)CC1 ZINC000587150031 IJ Annotated Anodyne CN1CCN(c2ccc3nc([C@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)CC1 ZINC000587150038 IJ Annotated Anodyne COc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(F)c1 ZINC000587150061 IJ Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587150199 IJ Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587150201 IJ Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3c2)cc1 ZINC000587150302 IJ Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3c2)cc1 ZINC000587150304 IJ Annotated Clean Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(I)cnc2[nH]1 ZINC000587150948 IJ Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(I)cnc2[nH]1 ZINC000587150949 IJ Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587151008 IJ Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587151009 IJ Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F ZINC000587151021 IJ Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F ZINC000587151022 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)c5ccc(F)cc5F)[nH]c4c3)o2)cc1 ZINC000587151198 IJ Annotated Anodyne COc1ccc(-c2ccc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587151302 IJ Annotated Anodyne O=C1C[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587151349 IJ Annotated Anodyne O=C1C[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587151352 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCc3ccccc3F)[nH]c2c1 ZINC000587151396 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 ZINC000587151527 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 ZINC000587151528 IJ Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587151842 IJ Annotated Bother O=[N+]([O-])c1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587151845 IJ Annotated Bother CC(C)COc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Br ZINC000587151870 IJ Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3cc(Br)c(Br)cc3[nH]2)cc1F ZINC000587152003 IJ Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3c(Br)ccc(Br)c3[nH]2)cc1F ZINC000587152190 IJ Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587152371 IJ Annotated Bother COc1cncc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587152579 IJ Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cnc(Cl)[nH]c-3n2)n1-c1ccccc1 ZINC000587152611 IJ Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587152648 IJ Annotated Bother Fc1ccccc1-c1nnc(SCc2nc3nc(Cl)c[nH]c-3n2)n1-c1ccccc1 ZINC000587152716 IJ Annotated Anodyne Fc1cccc([C@H]2C[C@H]2c2nc3c(I)cnc(Cl)c3[nH]2)c1F ZINC000587152815 IJ Annotated Anodyne Fc1cccc([C@@H]2C[C@H]2c2nc3c(I)cnc(Cl)c3[nH]2)c1F ZINC000587152816 IJ Annotated Anodyne Fc1cccc([C@H]2C[C@@H]2c2nc3c(I)cnc(Cl)c3[nH]2)c1F ZINC000587152817 IJ Annotated Anodyne Fc1cccc([C@@H]2C[C@@H]2c2nc3c(I)cnc(Cl)c3[nH]2)c1F ZINC000587152818 IJ Annotated Anodyne OCc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587152940 IJ Annotated Anodyne OCCc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587152975 IJ Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cn1 ZINC000587153199 IJ Annotated Anodyne O=C(O)c1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153205 IJ Annotated Anodyne O=[N+]([O-])c1cncc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153264 IJ Annotated Bother COc1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2n1 ZINC000587153535 IJ Annotated Anodyne O=C(O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153554 IJ Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc4c(cc3[nH]2)OCO4)n1-c1ccccc1 ZINC000587153630 IJ Annotated Anodyne COc1nccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153639 IJ Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c(Cl)ncnc3[nH]2)n1-c1ccccc1 ZINC000587153663 IJ Annotated Anodyne O=C(COc1ccccc1-c1nc2cncc(Br)c2[nH]1)Nc1ccccc1F ZINC000587153727 IJ Annotated Anodyne O=C(COc1ccccc1-c1nc2c(Br)ccnc2[nH]1)Nc1ccccc1F ZINC000587153737 IJ Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1)Nc1ccccc1F ZINC000587153915 IJ Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(Br)cnc2[nH]1)Nc1ccccc1F ZINC000587153987 IJ Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cccc(Br)c3[nH]2)c1 ZINC000587153996 IJ Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1)Nc1ccccc1F ZINC000587154007 IJ Annotated Anodyne N[C@@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154037 IJ Annotated Anodyne N[C@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587154038 IJ Annotated Anodyne N[C@@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587154039 IJ Annotated Anodyne N[C@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154040 IJ Annotated Anodyne N[C@@]1(c2nc3c(Br)ccc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154085 IJ Annotated Anodyne N[C@@]1(c2nc3c(Br)ccc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587154086 IJ Annotated Anodyne N[C@]1(c2nc3c(Br)ccc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154087 IJ Annotated Anodyne N[C@]1(c2nc3c(Br)ccc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587154088 IJ Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc2c1 ZINC000587154116 IJ Annotated Mild O=C(COc1ccccc1-c1nc2ccnc(Br)c2[nH]1)Nc1ccccc1F ZINC000587154204 IJ Annotated Anodyne O=C(COc1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3)Nc1ccccc1F ZINC000587154467 IJ Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cc1Cl ZINC000587154812 IJ Annotated Bother O=C(COc1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1)Nc1ccccc1F ZINC000587154863 IJ Annotated Anodyne CCCc1nc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)nn1-c1ccccc1F ZINC000587155362 IJ Annotated Bother O=C(COc1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1)Nc1ccccc1F ZINC000587155437 IJ Annotated Anodyne O=C(COc1ccccc1-c1nc2ccc(Br)nc2[nH]1)Nc1ccccc1F ZINC000587155497 IJ Annotated Anodyne N[C@@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155691 IJ Annotated Anodyne N[C@@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587155692 IJ Annotated Anodyne N[C@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587155693 IJ Annotated Anodyne N[C@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587155694 IJ Annotated Anodyne CCCc1nc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587155741 IJ Annotated Bother CCCc1nc(-c2nc3cc(I)ccc3[nH]2)nn1-c1ccccc1F ZINC000587155946 IJ Annotated Anodyne CCCc1nc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)nn1-c1ccccc1F ZINC000587156359 IJ Annotated Anodyne CCCc1nc(-c2nc3c(Br)cc(C#N)cc3[nH]2)nn1-c1ccccc1F ZINC000587156364 IJ Annotated Mild COc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)nn1-c1ccccc1F ZINC000587156443 IJ Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587156595 IJ Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587156596 IJ Annotated Anodyne CCCc1nc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)nn1-c1ccccc1F ZINC000587156685 IJ Annotated Anodyne CCCc1nc(-c2nc3ncc(Br)c(Cl)c3[nH]2)nn1-c1ccccc1F ZINC000587156758 IJ Annotated Anodyne CCCc1nc(-c2nc3c(Cl)ncc(Br)c3[nH]2)nn1-c1ccccc1F ZINC000587156875 IJ Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc12 ZINC000587156912 IJ Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1 ZINC000587156924 IJ Annotated Mild COC(=O)c1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587157009 IJ Annotated Anodyne COC(=O)c1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587157010 IJ Annotated Anodyne COC(=O)c1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587157011 IJ Annotated Anodyne COC(=O)c1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587157012 IJ Annotated Anodyne N[C@@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157043 IJ Annotated Anodyne N[C@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587157044 IJ Annotated Anodyne N[C@@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587157045 IJ Annotated Anodyne N[C@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157046 IJ Annotated Anodyne CC(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157104 IJ Annotated Anodyne CCCc1nc(-c2nc3c(I)cccc3[nH]2)nn1-c1ccccc1F ZINC000587157159 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@]5(N)C[C@H]5c5ccccc5F)[nH]c4c3)o2)cc1 ZINC000587157361 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@]5(N)C[C@H]5c5ccccc5F)[nH]c4c3)o2)cc1 ZINC000587157362 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@]5(N)C[C@@H]5c5ccccc5F)[nH]c4c3)o2)cc1 ZINC000587157363 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@]5(N)C[C@@H]5c5ccccc5F)[nH]c4c3)o2)cc1 ZINC000587157364 IJ Annotated Anodyne Cc1cc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2cc1[N+](=O)[O-] ZINC000587157413 IJ Annotated Bother Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(F)c(F)c(F)c4[nH]3)o2)c1 ZINC000587157477 IJ Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cnc5ccccc5c4[nH]3)o2)c1 ZINC000587157971 IJ Annotated Anodyne CC(C)(C)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2n1 ZINC000587158226 IJ Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc5ncccc5c4[nH]3)o2)c1 ZINC000587158234 IJ Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587158273 IJ Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587158311 IJ Annotated Bother COc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1C ZINC000587158476 IJ Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587158722 IJ Annotated Bother CC(C)COc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587158757 IJ Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587158775 IJ Annotated Bother N[C@@]1(c2nc3cc(Br)c(Br)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587159169 IJ Annotated Anodyne N[C@@]1(c2nc3cc(Br)c(Br)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587159171 IJ Annotated Anodyne N[C@]1(c2nc3cc(Br)c(Br)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587159173 IJ Annotated Anodyne N[C@]1(c2nc3cc(Br)c(Br)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587159175 IJ Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3ncc(I)cc3[nH]2)cc1 ZINC000587159260 IJ Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587159276 IJ Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4ccc(F)cc4-c4ccc(C=O)cc4)nc3c2)NNC(=O)C1 ZINC000587159354 IJ Annotated Anodyne Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587159404 IJ Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587159501 IJ Annotated Bother O=S(=O)(O)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587159670 IJ Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587159671 IJ Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587159777 IJ Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(COc4cc(F)ccc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587159812 IJ Annotated Bother O=[N+]([O-])c1cnc2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2c1 ZINC000587161002 IJ Annotated Bother OCCc1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c1 ZINC000587161216 IJ Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2Cl)c1 ZINC000587161263 IJ Annotated Bother O=[N+]([O-])c1cncc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587161489 IJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3cc(F)cc(Br)c3)nc2c1 ZINC000587161519 IJ Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2n1 ZINC000587161626 IJ Annotated Anodyne O=C(CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)Nc1cccc(F)c1 ZINC000587161633 IJ Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2Cl)c1 ZINC000587161675 IJ Annotated Bother Fc1cccc(Cn2nnc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2Cl)c1 ZINC000587162134 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)cc1 ZINC000587162275 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)cc1 ZINC000587162277 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)cc1 ZINC000587162279 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)cc1 ZINC000587162281 IJ Annotated Anodyne O=C(CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)Nc1cccc(F)c1 ZINC000587162309 IJ Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2Cl)c1 ZINC000587162342 IJ Annotated Anodyne O=C(CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)Nc1cccc(F)c1 ZINC000587162651 IJ Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(I)cnc2[nH]1 ZINC000587162799 IJ Annotated Anodyne O=C1CC=C(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162924 IJ Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 ZINC000587162976 IJ Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587163206 IJ Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587163428 IJ Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587163429 IJ Annotated Anodyne O=C(CCc1nc2c(Br)ccc(Br)c2[nH]1)Nc1cccc(F)c1 ZINC000587163587 IJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163825 IJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163827 IJ Annotated Anodyne O=C1CC=C(c2nc3cccc(OCc4ccccc4)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164291 IJ Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587164618 IJ Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587164619 IJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587164784 IJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587164862 IJ Annotated Anodyne N#Cc1nc(Cl)cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587165199 IJ Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc2c1 ZINC000587165281 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(C(=O)O)cc3[nH]2)c1C ZINC000587165408 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Cl)nc3[nH]2)c1C ZINC000587165462 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc4c(cc3[nH]2)OCO4)c1C ZINC000587165496 IJ Annotated Anodyne O=[N+]([O-])c1cccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587165604 IJ Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc4c(cc3[nH]2)OCCO4)c1C ZINC000587165613 IJ Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165617 IJ Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165618 IJ Annotated Anodyne O=C(O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165642 IJ Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000587165665 IJ Annotated Anodyne CN(C)CCOc1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587165685 IJ Annotated Anodyne O=C(O)c1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1F ZINC000587165690 IJ Annotated Anodyne Oc1nc2cc3nc(Cn4nc(C5CC5)c5c(-c6ccc(F)cc6)ccnc54)[nH]c3cc2[nH]1 ZINC000587165692 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C#N)c(C#N)cc3[nH]2)c1C ZINC000587165711 IJ Annotated Mild Fc1ccc(-c2cn3c(Cc4nc5c(Br)ccnc5[nH]4)csc3n2)cc1 ZINC000587165798 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(Cl)ccnc3[nH]2)c1C ZINC000587165826 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(C(=O)O)c3[nH]2)c1C ZINC000587165836 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1C ZINC000587165840 IJ Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc([C@H](N)N=O)cc3[nH]2)c1C ZINC000587165882 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1C ZINC000587165883 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1C ZINC000587165892 IJ Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cncc(Cl)c3[nH]2)c1C ZINC000587165895 IJ Annotated Anodyne COC(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165899 IJ Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(Br)ncc5[nH]4)csc3n2)cc1 ZINC000587165903 IJ Annotated Anodyne Cc1c(-c2nc3cc(I)cnc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165920 IJ Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(Br)cnc5[nH]4)csc3n2)cc1 ZINC000587165967 IJ Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cncc(Br)c5[nH]4)csc3n2)cc1 ZINC000587165997 IJ Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000587166003 IJ Annotated Anodyne O=[N+]([O-])c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587166009 IJ Annotated Bother O=C(O)c1cc(F)cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587166025 IJ Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc6c(cc5[nH]4)OC(F)(F)O6)csc3n2)cc1 ZINC000587166042 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccnc(Cl)c3[nH]2)c1C ZINC000587166066 IJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587166084 IJ Annotated Anodyne N#Cc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1C#N ZINC000587166097 IJ Annotated Mild O=C(O)c1cccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587166098 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(C(=O)OC)c3[nH]2)c1C ZINC000587166164 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Cl)ncc3[nH]2)c1C ZINC000587166165 IJ Annotated Anodyne COC(=O)c1cccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587166274 IJ Annotated Anodyne OCCc1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587166287 IJ Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(CN6CCOCC6)cc5[nH]4)csc3n2)cc1 ZINC000587166364 IJ Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccnc(Br)c5[nH]4)csc3n2)cc1 ZINC000587166400 IJ Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5c(F)cnc(Br)c5[nH]4)csc3n2)cc1 ZINC000587166406 IJ Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5ccc(Br)nc5[nH]4)csc3n2)cc1 ZINC000587166407 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Cl)cnc3[nH]2)c1C ZINC000587166424 IJ Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc4cn[nH]c4cc3[nH]2)c1C ZINC000587166442 IJ Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(-n6cccn6)c(F)cc5[nH]4)csc3n2)cc1 ZINC000587166502 IJ Annotated Anodyne Cc1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(-c2ccc(F)cc2)n1C ZINC000587166622 IJ Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587166882 IJ Annotated Anodyne CC(C)(C)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2n1 ZINC000587167019 IJ Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587167223 IJ Annotated Anodyne O=C(/C=C/c1nc2c(Br)ccc(Br)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167363 IJ Annotated Anodyne O=C(/C=C\c1nc2c(Br)ccc(Br)c2[nH]1)Nc1ccc(F)cc1 ZINC000587167364 IJ Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587167404 IJ Annotated Bother O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587167505 IJ Annotated Bother O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587167510 IJ Annotated Bother O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587167511 IJ Annotated Bother N#Cc1cc(Br)c2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587167514 IJ Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587167515 IJ Annotated Mild Fc1ccc(-n2nnc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2C2CC2)cc1 ZINC000587167609 IJ Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587167685 IJ Annotated Mild Nc1ccc(-c2ccc3nc(-c4nnn(-c5ccc(F)cc5)c4C4CC4)[nH]c3c2)cc1N ZINC000587167712 IJ Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587167752 IJ Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587168207 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc(F)cc3)[nH]c2c1 ZINC000587168275 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)cc3)[nH]c2c1 ZINC000587168277 IJ Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cnnc(O)c4[nH]3)c12 ZINC000587168356 IJ Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587168455 IJ Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2C2CC2)cc1 ZINC000587168660 IJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c21 ZINC000587168733 IJ Annotated Clean CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccnc(N)c4[nH]3)c12 ZINC000587168855 IJ Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2C2CC2)cc1 ZINC000587168874 IJ Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(N)ncc4[nH]3)c12 ZINC000587168885 IJ Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(O)ncnc4[nH]3)c12 ZINC000587169104 IJ Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2C2CC2)cc1 ZINC000587169246 IJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587169304 IJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(F)cc1 ZINC000587169306 IJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169340 IJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169341 IJ Annotated Anodyne Cc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Cl ZINC000587169613 IJ Annotated Anodyne Cc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Cl ZINC000587169614 IJ Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169720 IJ Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169721 IJ Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170080 IJ Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170081 IJ Annotated Anodyne O=c1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170491 IJ Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(Br)c(Br)cc4[nH]3)c1)OCOC2 ZINC000587170493 IJ Annotated Anodyne CC(C)COc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Br ZINC000587170512 IJ Annotated Anodyne Fc1cc2c(c(Cc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c1)OCOC2 ZINC000587170516 IJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc12 ZINC000587170548 IJ Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c1)OCOC2 ZINC000587170839 IJ Annotated Anodyne Cc1nc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2cc1Br ZINC000587170916 IJ Annotated Anodyne CN(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170955 IJ Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c1)OCOC2 ZINC000587171021 IJ Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(F)cc1 ZINC000587171138 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2c1 ZINC000587171307 IJ Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c1)OCOC2 ZINC000587171334 IJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(F)cc1 ZINC000587171431 IJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(F)cc1 ZINC000587171432 IJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc3ccccc3cc2[nH]1)c1ccc(F)cc1 ZINC000587171438 IJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc3ccccc3cc2[nH]1)c1ccc(F)cc1 ZINC000587171439 IJ Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(F)cc1 ZINC000587171646 IJ Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(F)cc1 ZINC000587171647 IJ Annotated Anodyne O=c1c(-c2nc3ccc(Br)c(O)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171910 IJ Annotated Anodyne CC(C)Oc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587171943 IJ Annotated Anodyne CC(C)Oc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587171944 IJ Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c32)n1 ZINC000587172056 IJ Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c32)n1 ZINC000587172057 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4cc(F)cc5c4OCOC5)[nH]c3c2)cc1 ZINC000587172155 IJ Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c1)OCOC2 ZINC000587172162 IJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2c1 ZINC000587172186 IJ Annotated Mild Fc1cc2c(c(Cc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c1)OCOC2 ZINC000587172201 IJ Annotated Anodyne Fc1cc2c(c(Cc3nc4c(Br)ccc(Br)c4[nH]3)c1)OCOC2 ZINC000587172204 IJ Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c1)OCOC2 ZINC000587172205 IJ Annotated Anodyne Cc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172816 IJ Annotated Anodyne Cc1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587172817 IJ Annotated Anodyne Cc1cccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172993 IJ Annotated Anodyne Cc1cccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172994 IJ Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cn(C5CC5)c5cc(F)c(F)cc5c4=O)[nH]c3c2)cc1N ZINC000587173004 IJ Annotated Anodyne CCCOc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587173269 IJ Annotated Anodyne CCCOc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587173271 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c3c2)cc1 ZINC000587174439 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c3c2)cc1 ZINC000587174441 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5n[nH]c6c(F)cccc56)nc4c3)o2)cc1 ZINC000587176491 IJ Annotated Anodyne Fc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc(N2CCCC2)n1 ZINC000587177355 IJ Annotated Anodyne Fc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc(N2CCCC2)n1 ZINC000587177696 IJ Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587177850 IJ Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587177943 IJ Annotated Unstable O=C(O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178489 IJ Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(I)c1 ZINC000587178519 IJ Annotated Anodyne COC(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178525 IJ Annotated Anodyne COc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1OC ZINC000587178527 IJ Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587178567 IJ Annotated Bother COc1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)c(I)c1 ZINC000587178568 IJ Annotated Anodyne N#Cc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1C#N ZINC000587178657 IJ Annotated Mild FC(F)(F)c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)c(I)c1 ZINC000587178825 IJ Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178897 IJ Annotated Mild COc1cc(N)c(I)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587179161 IJ Annotated Anodyne COc1ccc(-c2nc3cc(C)cc(Br)c3[nH]2)c(I)c1 ZINC000587179188 IJ Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587179269 IJ Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587179271 IJ Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587179347 IJ Annotated Anodyne COc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)c(I)c1 ZINC000587179423 IJ Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 ZINC000587179435 IJ Annotated Anodyne COc1ccc(-c2nc3cc(C)c(Br)cc3[nH]2)c(I)c1 ZINC000587179555 IJ Annotated Anodyne COc1ccc(-c2nc3cccc(Br)c3[nH]2)c(I)c1 ZINC000587179572 IJ Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587179587 IJ Annotated Bother COc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)c(I)c1 ZINC000587179601 IJ Annotated Anodyne COc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)c(I)c1 ZINC000587179882 IJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(F)c(F)c(Cl)cc2[nH]1 ZINC000587180002 IJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)c(F)c(Cl)cc2[nH]1 ZINC000587180005 IJ Annotated Anodyne COc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)c(I)c1 ZINC000587180106 IJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2ncc(Cl)c(Cl)c2[nH]1 ZINC000587180135 IJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2ncc(Cl)c(Cl)c2[nH]1 ZINC000587180136 IJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nc(Cl)c(Cl)cc2[nH]1 ZINC000587180226 IJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2nc(Cl)c(Cl)cc2[nH]1 ZINC000587180227 IJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(ccc3nc(C)ccc32)[nH]1 ZINC000587180307 IJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(ccc3nc(C)ccc32)[nH]1 ZINC000587180309 IJ Annotated Anodyne COc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)c(I)c1 ZINC000587180394 IJ Annotated Anodyne COc1ccc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(I)c1 ZINC000587180429 IJ Annotated Mild COc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(I)c1 ZINC000587180476 IJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)nc(Cl)cc2[nH]1 ZINC000587180586 IJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)nc(Cl)cc2[nH]1 ZINC000587180587 IJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587180693 IJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587180694 IJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)cccc2[nH]1 ZINC000587181009 IJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)cccc2[nH]1 ZINC000587181010 IJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)cc(C#N)cc2[nH]1 ZINC000587181015 IJ Annotated Mild CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)cc(C#N)cc2[nH]1 ZINC000587181016 IJ Annotated Mild CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 ZINC000587181111 IJ Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1 ZINC000587181113 IJ Annotated Bother CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Cl)c(OC)cc2[nH]1 ZINC000587181226 IJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Cl)c(OC)cc2[nH]1 ZINC000587181229 IJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Cl)ncc(Cl)c2[nH]1 ZINC000587181399 IJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Cl)ncc(Cl)c2[nH]1 ZINC000587181400 IJ Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Br)ccc2[nH]1 ZINC000587181586 IJ Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Br)ccc2[nH]1 ZINC000587181587 IJ Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587182022 IJ Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cc(I)ccc3F)nc2c1 ZINC000587182082 IJ Annotated Anodyne Clc1cc(I)cc(-c2nc3cc(Br)ncc3[nH]2)c1 ZINC000587182099 IJ Annotated Anodyne Oc1c(Br)ccc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587182171 IJ Annotated Anodyne Clc1ccc(I)cc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587182196 IJ Annotated Anodyne Oc1c(Br)ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587182206 IJ Annotated Anodyne FC1(F)Oc2cc3nc(-c4cc(Cl)cc(I)c4)[nH]c3cc2O1 ZINC000587182242 IJ Annotated Anodyne N#Cc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1C(F)(F)F ZINC000587182309 IJ Annotated Mild Clc1ccc(I)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587182350 IJ Annotated Anodyne Clc1cc(I)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC000587182373 IJ Annotated Anodyne Fc1ccc(I)cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587182396 IJ Annotated Anodyne Fc1ccc(I)cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587182405 IJ Annotated Anodyne Clc1ccc(I)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587182467 IJ Annotated Anodyne Cc1nc2[nH]c(-c3cc(I)ccc3Cl)nc2cc1Br ZINC000587182504 IJ Annotated Anodyne Clc1cc(I)cc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587182569 IJ Annotated Anodyne Clc1cc(I)cc(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587182658 IJ Annotated Anodyne Fc1cc2[nH]c(-c3cc(I)ccc3Cl)nc2cc1-n1cccn1 ZINC000587182837 IJ Annotated Anodyne Cc1nc2[nH]c(-c3cc(Cl)cc(I)c3)nc2cc1Br ZINC000587182924 IJ Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 ZINC000587182949 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587182969 IJ Annotated Anodyne Clc1cc(I)cc(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587182982 IJ Annotated Anodyne Cc1nc2[nH]c(/C=C/c3cccc(I)c3)nc2cc1Br ZINC000587183192 IJ Annotated Anodyne Cc1nc2[nH]c(/C=C\c3cccc(I)c3)nc2cc1Br ZINC000587183206 IJ Annotated Anodyne Fc1cc2[nH]c(-c3cc(Cl)cc(I)c3)nc2cc1-n1cccn1 ZINC000587183236 IJ Annotated Anodyne Clc1cc(I)cc(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000587183238 IJ Annotated Anodyne Clc1cc(I)cc(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587183248 IJ Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587183273 IJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587183279 IJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(I)ccc3F)nc2c1 ZINC000587183371 IJ Annotated Mild Fc1cc2[nH]c(-c3cc(I)ccc3F)nc2cc1Br ZINC000587183397 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587183485 IJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(I)ccc3Cl)nc12 ZINC000587183501 IJ Annotated Anodyne Clc1ccc(I)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587183519 IJ Annotated Anodyne Oc1c(Br)ccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183520 IJ Annotated Anodyne Oc1c(Br)ccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183521 IJ Annotated Anodyne Clc1ccc(I)cc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587183533 IJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc12 ZINC000587183966 IJ Annotated Anodyne Fc1cnc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc12 ZINC000587183967 IJ Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587184089 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587184097 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587184099 IJ Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587184112 IJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587184113 IJ Annotated Anodyne Ic1cncc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587184144 IJ Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587184179 IJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587184180 IJ Annotated Anodyne CC[C@@H](c1nc2ccc3nc(C)ccc3c2[nH]1)n1cc(I)c(C)n1 ZINC000587184242 IJ Annotated Anodyne CC[C@H](c1nc2ccc3nc(C)ccc3c2[nH]1)n1cc(I)c(C)n1 ZINC000587184243 IJ Annotated Anodyne Clc1cc(Br)cc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184251 IJ Annotated Anodyne Cc1c(Br)cc2nc(-c3cncc(I)c3)[nH]c2c1C ZINC000587184252 IJ Annotated Anodyne FC1(F)Oc2cc3nc(/C=C\c4cccc(I)c4)[nH]c3cc2O1 ZINC000587184435 IJ Annotated Anodyne FC1(F)Oc2cc3nc(/C=C/c4cccc(I)c4)[nH]c3cc2O1 ZINC000587184436 IJ Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Cl ZINC000587184668 IJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C/c3cccc(I)c3)nc12 ZINC000587184709 IJ Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C=C\c3cccc(I)c3)nc12 ZINC000587184710 IJ Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Cl ZINC000587184743 IJ Annotated Bother O=[N+]([O-])c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Cl ZINC000587184744 IJ Annotated Bother N[C@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587185117 IJ Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587185120 IJ Annotated Anodyne Fc1cc2[nH]c(/C=C/c3cccc(I)c3)nc2cc1-n1cccn1 ZINC000587185217 IJ Annotated Anodyne Fc1cc2[nH]c(/C=C\c3cccc(I)c3)nc2cc1-n1cccn1 ZINC000587185218 IJ Annotated Anodyne CC[C@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185285 IJ Annotated Anodyne CC[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185286 IJ Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cncc(I)c4)[nH]c3c2)cc1 ZINC000587186033 IJ Annotated Clean Fc1cc(C(F)(F)F)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587186042 IJ Annotated Anodyne Ic1nccnc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587186094 IJ Annotated Anodyne CC[C@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186119 IJ Annotated Anodyne CC[C@@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186120 IJ Annotated Anodyne CC[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186155 IJ Annotated Anodyne CC[C@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186156 IJ Annotated Anodyne CC[C@H](c1nc2cccc(C(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186170 IJ Annotated Anodyne CC[C@@H](c1nc2cccc(C(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186171 IJ Annotated Anodyne Clc1cc(Cl)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587186406 IJ Annotated Anodyne CC[C@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186452 IJ Annotated Anodyne CC[C@@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186453 IJ Annotated Anodyne Clc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Cl ZINC000587186617 IJ Annotated Anodyne Fc1cc2[nH]c(-c3ccc4ncc(I)n4c3)nc2cc1C(F)(F)F ZINC000587186809 IJ Annotated Anodyne FC(F)(F)c1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587186908 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C(C#N)=C\c4ccc(C)cc4)[nH]c3c2)cc1 ZINC000587187308 IJ Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc(/C(C#N)=C/c4ccc(C)cc4)[nH]c3c2)cc1 ZINC000587187309 IJ Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2c1 ZINC000587188484 IJ Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2c1 ZINC000587188486 IJ Annotated Reactive CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587189555 IJ Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587189557 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4[nH]c(C=NOCc5ccccc5)nc4c3)o2)cc1 ZINC000587189708 IJ Annotated Mild O=S(=O)(Nc1ccccc1Cl)c1ccc2[nH]c(C=NOCc3ccccc3)nc2c1 ZINC000587190045 IJ Annotated Mild Cc1nc2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2cc1Br ZINC000587190082 IJ Annotated Anodyne Cc1nc2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2cc1Br ZINC000587190083 IJ Annotated Anodyne C#CCN(Cc1nc2cc(Cl)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190184 IJ Annotated Mild C#CCN(Cc1nc2ccnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190643 IJ Annotated Mild C#CCN(Cc1nc2c(Cl)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190782 IJ Annotated Mild C#CCN(Cc1nc2cc(Cl)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190961 IJ Annotated Mild C#CCN(Cc1nc2cncc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191241 IJ Annotated Mild C#CCN(Cc1nc2ccc(Cl)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191650 IJ Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2[nH]c(C=NOCc3ccccc3)nc2c1 ZINC000587192107 IJ Annotated Mild COC(=O)c1cc(Cl)c2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587192305 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587192307 IJ Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587192544 IJ Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587192545 IJ Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587192582 IJ Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587192583 IJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc12 ZINC000587192615 IJ Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc12 ZINC000587192616 IJ Annotated Anodyne CCCCN(Cc1nc2cc(N)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192821 IJ Annotated Anodyne CCCCN(Cc1nc2cncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192903 IJ Annotated Anodyne CCCCN(Cc1nc2c(O)ncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192915 IJ Annotated Anodyne CCCCN(Cc1nc2ncc[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192922 IJ Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1Br ZINC000587192930 IJ Annotated Clean CCCCCOc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1Br ZINC000587192953 IJ Annotated Clean O=C(O)CCN(CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)Cc1ccccc1 ZINC000587193147 IJ Annotated Anodyne C#CCN(Cc1nc2cccc(C#N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193209 IJ Annotated Mild CCCCN(Cc1nc2ccnc(N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193225 IJ Annotated Anodyne C#CCN(Cc1nc2c(C)nc(C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193294 IJ Annotated Mild CCCCN(Cc1nc2cnncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193297 IJ Annotated Anodyne C#CCN(Cc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193317 IJ Annotated Mild CCCCN(Cc1nc2cnnc(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193366 IJ Annotated Anodyne CN(CCc1nc2cc(C#N)c(C#N)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193467 IJ Annotated Mild C#CCN(Cc1nc2cccc(OC)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193568 IJ Annotated Mild Cc1cc2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000587193768 IJ Annotated Anodyne O=C(O)CCN(CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)Cc1ccccc1 ZINC000587193770 IJ Annotated Anodyne C#CCN(Cc1nc2ccc(C#N)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193805 IJ Annotated Mild O=C(O)CCN(CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)Cc1ccccc1 ZINC000587193859 IJ Annotated Anodyne CN(CCc1nc2ccc(CCO)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193865 IJ Annotated Anodyne C#CCN(Cc1nc2ccc(OC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194009 IJ Annotated Mild COc1cccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587194140 IJ Annotated Anodyne CN(CCc1nc2ccc(C(=O)O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194169 IJ Annotated Anodyne CN(CCc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194210 IJ Annotated Bother CN(CCc1nc2cccc(C(=O)O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194380 IJ Annotated Anodyne CN(CCc1nc2cc3c(cc2[nH]1)OCO3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194440 IJ Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587194533 IJ Annotated Anodyne CN(CCc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194657 IJ Annotated Bother CN(CCc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194831 IJ Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587194876 IJ Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587194880 IJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CN(Cc3ccccc3)c3ccccc3)nc-2[nH]1 ZINC000587195025 IJ Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587195880 IJ Annotated Anodyne Ic1cnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587195917 IJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc(Cl)c2[nH]1)C[C@H]1CCCO1 ZINC000587196087 IJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)cc(Cl)c2[nH]1)C[C@@H]1CCCO1 ZINC000587196088 IJ Annotated Anodyne Cc1c(Br)cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1C ZINC000587196241 IJ Annotated Anodyne Cc1c(Br)cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1C ZINC000587196242 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587196312 IJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)nc2cc1OC ZINC000587196488 IJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)cc(Br)c2[nH]1)C[C@H]1CCCO1 ZINC000587196602 IJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)cc(Br)c2[nH]1)C[C@@H]1CCCO1 ZINC000587196603 IJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C[C@@H]1CCCO1 ZINC000587196684 IJ Annotated Bother CC(C)(C)OC(=O)N(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C[C@H]1CCCO1 ZINC000587196685 IJ Annotated Bother CC(C)[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197181 IJ Annotated Bother CC(C)[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197260 IJ Annotated Anodyne CC(C)[C@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197540 IJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)c(F)c(F)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197689 IJ Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(Br)c(F)c(F)c2[nH]1)C[C@H]1CCCO1 ZINC000587197690 IJ Annotated Anodyne CC(C)[C@H](c1nc2ccc(I)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197768 IJ Annotated Anodyne CC(C)[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197911 IJ Annotated Bother CC(C)(C)OC(=O)N(Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197930 IJ Annotated Clean CC(C)(C)OC(=O)N(Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197931 IJ Annotated Clean CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587197964 IJ Annotated Anodyne CC(C)[C@H](c1nc2cccc(I)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198018 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2c1 ZINC000587198030 IJ Annotated Anodyne CC(C)[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)N(C)C(=O)OC(C)(C)C ZINC000587198078 IJ Annotated Clean CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587198084 IJ Annotated Mild Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000587198092 IJ Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)nc2c1 ZINC000587198291 IJ Annotated Anodyne CC(C)[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)N(C)C(=O)OCc1ccccc1 ZINC000587198349 IJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587198389 IJ Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(C)ccc4N(C)C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587198440 IJ Annotated Anodyne Cc1nc2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2cc1Br ZINC000587198445 IJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587198459 IJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587198610 IJ Annotated Mild Cc1c(Br)cnc2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc12 ZINC000587198628 IJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587198671 IJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587198830 IJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587198843 IJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587198855 IJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587198887 IJ Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587199033 IJ Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587199086 IJ Annotated Anodyne CC(C)[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)N(C)C ZINC000587199142 IJ Annotated Anodyne CCC[C@@H](c1nc2c(O)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199416 IJ Annotated Anodyne COc1cncc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199515 IJ Annotated Anodyne C[C@@H](c1nc2nc(Cl)c[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199529 IJ Annotated Anodyne C[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199533 IJ Annotated Bother C[C@@H](c1nc2cc(N)c(N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199540 IJ Annotated Anodyne C[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199554 IJ Annotated Bother COc1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587199572 IJ Annotated Anodyne CCC[C@@H](c1nc2cnnc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199574 IJ Annotated Anodyne COc1nccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199718 IJ Annotated Anodyne C[C@@H](c1nc2ccc(CO)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199789 IJ Annotated Anodyne C[C@@H](c1nc2c(Cl)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199907 IJ Annotated Anodyne COc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587199908 IJ Annotated Anodyne CCC[C@@H](c1nc2c(N)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199970 IJ Annotated Anodyne Cc1nc2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2cc1Br ZINC000587200280 IJ Annotated Anodyne C[C@@H](c1nc2cnc(Cl)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200306 IJ Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2c1 ZINC000587200515 IJ Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587200671 IJ Annotated Mild CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587200782 IJ Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(I)cc2[nH]1 ZINC000587201026 IJ Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587201113 IJ Annotated Clean CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(I)c2[nH]1 ZINC000587201181 IJ Annotated Anodyne COc1ccc(NC(C)(C)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587201381 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C(C)(C)Nc3ccc(OC)cc3)nc2c1 ZINC000587201390 IJ Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587201534 IJ Annotated Anodyne COc1ccc(NC(C)(C)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587201540 IJ Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587201907 IJ Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587201923 IJ Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587201936 IJ Annotated Bother CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000587202275 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)C(C)(C)C ZINC000587202928 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)C(C)(C)C ZINC000587202930 IJ Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587203394 IJ Annotated Bother CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000587203852 IJ Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000587203932 IJ Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000587204592 IJ Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000587204626 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)(C)C ZINC000587205237 IJ Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)(C)C ZINC000587205238 IJ Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)C(C)(C)C ZINC000587205411 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)C(C)(C)C ZINC000587205412 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)(C)C ZINC000587205413 IJ Annotated Clean CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)(C)C ZINC000587205414 IJ Annotated Clean CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)(C)C ZINC000587206635 IJ Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)(C)C ZINC000587206636 IJ Annotated Bother CC(=O)N[C@@H](Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587207364 IJ Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1)c1ccc(C)cc1 ZINC000587207365 IJ Annotated Anodyne O=C(O)Cc1c(CCC(=O)c2cccs2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207556 IJ Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587207662 IJ Annotated Anodyne Cc1nc(NC[C@H]2CCCO2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587207666 IJ Annotated Anodyne O=C(N=c1nc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[nH]s1)c1ccccc1 ZINC000587207992 IJ Annotated Anodyne Cn1ncc(Br)c1C(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587208131 IJ Annotated Anodyne CCCOc1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000587208134 IJ Annotated Anodyne CCCOc1cc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000587208136 IJ Annotated Anodyne O=C(O)CCc1nc2cccc3c2c(c1CC(=O)c1cccs1)-c1ccccc1C3=O ZINC000587208315 IJ Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208370 IJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(N4CCCS4(=O)=O)c3)nc3cccc1c23 ZINC000587208507 IJ Annotated Anodyne O=C(O)Cc1c(-c2ccc3c(c2)OCCCO3)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208611 IJ Annotated Anodyne Cc1nc(NC(=O)CCC(=O)O)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208650 IJ Annotated Anodyne Cc1c(-c2ccc(Cl)c(S(N)(=O)=O)c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208922 IJ Annotated Anodyne C=CCNS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587208944 IJ Annotated Mild O=C(O)CCc1c(-c2ccc3c(c2)OCCO3)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208948 IJ Annotated Anodyne COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1CS(C)(=O)=O ZINC000587208969 IJ Annotated Anodyne C=CCNS(=O)(=O)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587209134 IJ Annotated Mild Cc1nc2cccc3c2c(c1CC(=O)c1ccc(S(C)(=O)=O)cc1)-c1ccccc1C3=O ZINC000587209170 IJ Annotated Anodyne C[C@H]1CN(c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)S(=O)(=O)C1 ZINC000587209287 IJ Annotated Anodyne C[C@@H]1CN(c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)S(=O)(=O)C1 ZINC000587209288 IJ Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)ccc1Cl ZINC000587209688 IJ Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(N4CCCS4(=O)=O)cc3)nc3cccc1c23 ZINC000587209884 IJ Annotated Anodyne O=C1CCc2c(nc3cccc4c3c2CC4)[C@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587210123 IJ Annotated Bother O=C1CCc2c(nc3cccc4c3c2CC4)[C@@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587210124 IJ Annotated Bother CN1C(=O)[C@H](c2cc3c4c(cccc4n2)CC3)C(=O)[C@@H]2c3c[nH]c4cccc(c34)C[C@@H]2C1(C)C ZINC000587211358 IJ Annotated Anodyne CN1C(=O)[C@H](c2cc3c4c(cccc4n2)CC3)C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@H]2C1(C)C ZINC000587211365 IJ Annotated Anodyne CN1C(=O)[C@H](c2cc3c4c(cccc4n2)CC3)C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@@H]2C1(C)C ZINC000587211368 IJ Annotated Anodyne CN1C(=O)[C@H](c2cc3c4c(cccc4n2)CC3)C(=O)[C@@H]2c3c[nH]c4cccc(c34)C[C@H]2C1(C)C ZINC000587211374 IJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3CC5)CC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587211662 IJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3CC5)CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000587211669 IJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3CC5)CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000587211670 IJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3CC5)CC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587211671 IJ Annotated Anodyne O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587213398 IJ Annotated Anodyne O=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587213401 IJ Annotated Anodyne O=C1Oc2ccc(O)cc2C(=O)[C@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 ZINC000587215836 IJ Annotated Anodyne O=C1Oc2ccc(O)cc2C(=O)[C@@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 ZINC000587215838 IJ Annotated Anodyne O=C1Oc2ccc(O)cc2C(=O)[C@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 ZINC000587215839 IJ Annotated Anodyne O=C1Oc2ccc(O)cc2C(=O)[C@@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 ZINC000587215840 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2C1=O)CC3 ZINC000587216161 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2C1=O)CC3 ZINC000587216162 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2C1=O)CC3 ZINC000587216163 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2C1=O)CC3 ZINC000587216164 IJ Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc(O)cc1 ZINC000587216342 IJ Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc(O)cc1 ZINC000587216343 IJ Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc(O)cc1 ZINC000587216344 IJ Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccc(O)cc1 ZINC000587216346 IJ Annotated Anodyne O=C1Oc2c(O)cccc2C(=O)[C@@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 ZINC000587216662 IJ Annotated Anodyne O=C1Oc2c(O)cccc2C(=O)[C@@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 ZINC000587216663 IJ Annotated Anodyne O=C1Oc2c(O)cccc2C(=O)[C@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 ZINC000587216664 IJ Annotated Anodyne O=C1Oc2c(O)cccc2C(=O)[C@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 ZINC000587216665 IJ Annotated Anodyne O=C1Oc2cc(O)ccc2C(=O)[C@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 ZINC000587216712 IJ Annotated Anodyne O=C1Oc2cc(O)ccc2C(=O)[C@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 ZINC000587216713 IJ Annotated Anodyne O=C1Oc2cc(O)ccc2C(=O)[C@@H]1[C@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 ZINC000587216714 IJ Annotated Anodyne O=C1Oc2cc(O)ccc2C(=O)[C@@H]1[C@@H](Cc1cc2c3c(cccc3n1)CC2)c1ccccc1 ZINC000587216715 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2C1=O)CC3 ZINC000587216725 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2C1=O)CC3 ZINC000587216726 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2C1=O)CC3 ZINC000587216727 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2C1=O)CC3 ZINC000587216728 IJ Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](c1ccccc1)[C@H](O)c1cc2c3c(cccc3n1)CC2 ZINC000587216865 IJ Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](c1ccccc1)[C@@H](O)c1cc2c3c(cccc3n1)CC2 ZINC000587216866 IJ Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](c1ccccc1)[C@@H](O)c1cc2c3c(cccc3n1)CC2 ZINC000587216867 IJ Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](c1ccccc1)[C@H](O)c1cc2c3c(cccc3n1)CC2 ZINC000587216868 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2C1=O)CC3 ZINC000587216935 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2C1=O)CC3 ZINC000587216936 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2C1=O)CC3 ZINC000587216937 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2C1=O)CC3 ZINC000587216938 IJ Annotated Anodyne CS(=O)(=O)c1ccc(C2=C(Br)c3nc4cccc5c4c(c3C2)CC5)cc1 ZINC000587216944 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3 ZINC000587216951 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3 ZINC000587216954 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)CC3 ZINC000587216957 IJ Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)CC3 ZINC000587216959 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cncc(Cl)c2[nH]1 ZINC000587216979 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cncc(Cl)c2[nH]1 ZINC000587216981 IJ Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3c2)cc1N ZINC000587217018 IJ Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3c2)cc1N ZINC000587217021 IJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1)c1ccccc1 ZINC000587217328 IJ Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1)c1ccccc1 ZINC000587217330 IJ Annotated Anodyne Cc1cc2[nH]c([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587218163 IJ Annotated Anodyne Cc1cc2[nH]c([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587218165 IJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccccc1 ZINC000587218651 IJ Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1)c1ccccc1 ZINC000587218653 IJ Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587220545 IJ Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587220553 IJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221664 IJ Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221665 IJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 ZINC000587222127 IJ Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 ZINC000587222130 IJ Annotated Mild O=C(N[C@H](c1ccccc1)c1nc2ncc[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587222267 IJ Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ncc[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587222269 IJ Annotated Anodyne COc1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587222407 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587222504 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587222505 IJ Annotated Anodyne CCCCOc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cc1Br ZINC000587223376 IJ Annotated Anodyne CCCCOc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cc1Br ZINC000587223378 IJ Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587223837 IJ Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587223839 IJ Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587224264 IJ Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587224268 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C1CCCC1 ZINC000587224305 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C1CCCC1 ZINC000587224308 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C1CCCC1 ZINC000587224815 IJ Annotated Bother CC(C)(C)OC(=O)N[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C1CCCC1 ZINC000587224818 IJ Annotated Bother CC(C)(C)OC(=O)N[C@H](c1nc2cccc(I)c2[nH]1)C1CCCC1 ZINC000587225847 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cccc(I)c2[nH]1)C1CCCC1 ZINC000587225852 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C1CCCC1 ZINC000587226092 IJ Annotated Bother CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C1CCCC1 ZINC000587226093 IJ Annotated Bother CC(C)(C)OC(=O)N[C@H](c1nc2ccc(I)cc2[nH]1)C1CCCC1 ZINC000587226590 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(I)cc2[nH]1)C1CCCC1 ZINC000587226591 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C1CCCC1 ZINC000587226826 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C1CCCC1 ZINC000587226827 IJ Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000587227090 IJ Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587227737 IJ Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587227927 IJ Annotated Mild CCCCCCCC(=O)NCCCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587228039 IJ Annotated Mild O=C(NCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 ZINC000587228075 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCCNc3cc(C)ccc3OC)nc2c1 ZINC000587228259 IJ Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000587228395 IJ Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587228709 IJ Annotated Clean CCCCCCCC(=O)NCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587228743 IJ Annotated Mild CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C2CC2)n1 ZINC000587229255 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C2CC2)n1 ZINC000587229283 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C2CC2)n1 ZINC000587229382 IJ Annotated Bother COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587229420 IJ Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587229424 IJ Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587229427 IJ Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587229429 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cncc(Br)c3[nH]2)c(C2CC2)n1 ZINC000587229550 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(Br)ccnc3[nH]2)c(C2CC2)n1 ZINC000587229628 IJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cccc(CNc4ncccc4C#N)c3)nc2c1 ZINC000587229673 IJ Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587229734 IJ Annotated Mild CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(Br)nc3[nH]2)c(C2CC2)n1 ZINC000587229913 IJ Annotated Anodyne CCOC(=O)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1 ZINC000587229985 IJ Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 ZINC000587230042 IJ Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587230153 IJ Annotated Mild Cc1cc2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2cc1[N+](=O)[O-] ZINC000587230206 IJ Annotated Bother CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C2CC2)n1 ZINC000587230369 IJ Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587230466 IJ Annotated Mild CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Br)ncc3[nH]2)c(C2CC2)n1 ZINC000587230613 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccnc(Br)c3[nH]2)c(C2CC2)n1 ZINC000587230661 IJ Annotated Anodyne Ic1cccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587230674 IJ Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587230790 IJ Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587230798 IJ Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587230800 IJ Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587230803 IJ Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587230895 IJ Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000587231041 IJ Annotated Mild O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587231291 IJ Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(C(=O)OC)cc(Cl)c4[nH]3)c2)c1 ZINC000587231504 IJ Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587231531 IJ Annotated Mild O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587231910 IJ Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587231946 IJ Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587231973 IJ Annotated Bother O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587232176 IJ Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(CNCc4ccco4)cc3)nc21 ZINC000587232203 IJ Annotated Clean CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(C2CC2)n1 ZINC000587232611 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587232860 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587232949 IJ Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587232994 IJ Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587233086 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587233097 IJ Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc(I)cnc4[nH]3)c2)c1 ZINC000587233433 IJ Annotated Anodyne CC(=O)NC1(c2nc3c(Br)ccc(Br)c3[nH]2)CCC(C)CC1 ZINC000587233728 IJ Annotated Anodyne COC(=O)c1cc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587233818 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCC(=O)CC1 ZINC000587233821 IJ Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CCC(=O)CC1 ZINC000587233851 IJ Annotated Anodyne CC(=O)NC1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCC(C)CC1 ZINC000587233879 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CCC(=O)CC1 ZINC000587234120 IJ Annotated Clean CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)cc(Br)c3[nH]2)CCC(O)CC1 ZINC000587234133 IJ Annotated Anodyne CC(=O)NC1(c2nc3cc(Br)c(Br)cc3[nH]2)CCC(C)CC1 ZINC000587234174 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCC(=O)CC1 ZINC000587234224 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCC(=O)CC1 ZINC000587234379 IJ Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCC(O)CC1 ZINC000587234592 IJ Annotated Anodyne CC(=O)NC1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCC(C)CC1 ZINC000587234636 IJ Annotated Anodyne CC(=O)NC1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCC(C)CC1 ZINC000587234728 IJ Annotated Anodyne Cc1c(Br)cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1C ZINC000587234810 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587235244 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCC(=O)CC1 ZINC000587235256 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)cc(Br)c3[nH]2)CCC(=O)CC1 ZINC000587235499 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587235763 IJ Annotated Anodyne Cc1c(Br)cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1C ZINC000587236016 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587236072 IJ Annotated Clean CC(C)(C)OC(=O)NC1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CCC(O)CC1 ZINC000587236547 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CCC(O)CC1 ZINC000587236671 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCC(O)CC1 ZINC000587236677 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2c1 ZINC000587236923 IJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2c1 ZINC000587237287 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CCC(O)CC1 ZINC000587237529 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CCC(O)CC1 ZINC000587237770 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CCC(O)CC1 ZINC000587237816 IJ Annotated Clean CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238074 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238076 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238077 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238079 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4c(c3[nH]2)CCCC4)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238117 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4c(c3[nH]2)CCCC4)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238119 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4c(c3[nH]2)CCCC4)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238121 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc4c(c3[nH]2)CCCC4)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238123 IJ Annotated Anodyne O=C(NC1(c2nc3cnccc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238264 IJ Annotated Anodyne Cc1ccc2c(ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@H]5C4(C)C)[nH]c32)n1 ZINC000587238608 IJ Annotated Anodyne Cc1ccc2c(ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@H]5C4(C)C)[nH]c32)n1 ZINC000587238609 IJ Annotated Anodyne Cc1ccc2c(ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@@H]5C4(C)C)[nH]c32)n1 ZINC000587238611 IJ Annotated Anodyne Cc1ccc2c(ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@@H]5C4(C)C)[nH]c32)n1 ZINC000587238612 IJ Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587238622 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238645 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238646 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238648 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238650 IJ Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(NC(N)=O)c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587238828 IJ Annotated Anodyne CC(C)Oc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587238829 IJ Annotated Anodyne CC(C)Oc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587238831 IJ Annotated Anodyne CC(C)Oc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 ZINC000587238832 IJ Annotated Anodyne CC(C)Oc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 ZINC000587238833 IJ Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(Br)c(Br)cc3[nH]2)c1C ZINC000587238870 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239085 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239086 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239087 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239088 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239105 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239106 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239107 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239108 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239413 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239415 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239416 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239418 IJ Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3c(Br)ccc(Br)c3[nH]2)c1C ZINC000587239534 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CC(=O)Nc4cccc(C)c4C)[nH]c3c2)cc1 ZINC000587239559 IJ Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Cl ZINC000587239565 IJ Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Cl ZINC000587239567 IJ Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Cl ZINC000587239568 IJ Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Cl ZINC000587239569 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239579 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239580 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239582 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239584 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(C)(C)C)nc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239606 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(C)(C)C)nc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239608 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(C)(C)C)nc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239610 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(C)(C)C)nc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239612 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)cc(Cl)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239650 IJ Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)cc(Cl)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239652 IJ Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)cc(Cl)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239653 IJ Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C#N)cc(Cl)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239655 IJ Annotated Mild O=C(NC1(c2nc3cccnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587239673 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239793 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239796 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239797 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239798 IJ Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cncc(Br)c3[nH]2)c(O)c1 ZINC000587239906 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000587239919 IJ Annotated Mild CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587239922 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)c(F)c(F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240010 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)c(F)c(F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240013 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)c(F)c(F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240015 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(F)c(F)c(F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240016 IJ Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587240251 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587240408 IJ Annotated Bother CC1=C(c2ccc3nc(-c4cccc(N)c4Nc4cc(C)cc(C)c4)[nH]c3c2)NNC(=O)C1 ZINC000587240433 IJ Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587240538 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587240596 IJ Annotated Bother Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(O)c1 ZINC000587240651 IJ Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(O)c1 ZINC000587240867 IJ Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(Br)ccnc3[nH]2)c(O)c1 ZINC000587240939 IJ Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccnc(Br)c3[nH]2)c(O)c1 ZINC000587240990 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587241214 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5cccc(NC(C)=O)c5)[nH]c4c3)o2)cc1 ZINC000587241905 IJ Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587242512 IJ Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587242517 IJ Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4cc(I)cnc4[nH]3)c2)cc1 ZINC000587242520 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(NC(=O)C(C)(C)C)c3)nc2c1 ZINC000587242635 IJ Annotated Anodyne COC(=O)c1cc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587242698 IJ Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587242783 IJ Annotated Anodyne COC(=O)c1cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587243163 IJ Annotated Anodyne COC(=O)c1cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587243164 IJ Annotated Anodyne O=C(/C=C\c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)Nc1ccccc1 ZINC000587243816 IJ Annotated Anodyne O=C(/C=C/c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)Nc1ccccc1 ZINC000587243818 IJ Annotated Anodyne O=C(/C=C\c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)Nc1ccccc1 ZINC000587243867 IJ Annotated Anodyne O=C(/C=C/c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)Nc1ccccc1 ZINC000587243869 IJ Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Br)c(C)c3[nH]2)cc1 ZINC000587243957 IJ Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3ccc(NC(=O)c4cnoc4C)cc3)nc2c1 ZINC000587244436 IJ Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587244444 IJ Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000587244492 IJ Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Br)cc(C)c3[nH]2)cc1 ZINC000587244742 IJ Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587244895 IJ Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587245309 IJ Annotated Anodyne O=C(Nc1ccccc1)c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587245356 IJ Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000587245607 IJ Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000587245717 IJ Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000587245733 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)C2 ZINC000587245901 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)C2 ZINC000587245902 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)C2 ZINC000587246036 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)C2 ZINC000587246037 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)C2 ZINC000587246558 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)C2 ZINC000587246559 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)C2 ZINC000587246888 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)C2 ZINC000587246889 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)C2 ZINC000587246997 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)C2 ZINC000587246998 IJ Annotated Anodyne CCCCOc1cc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2cc1Br ZINC000587247350 IJ Annotated Anodyne CCCCOc1cc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2cc1Br ZINC000587247351 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)C2 ZINC000587247427 IJ Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)C2 ZINC000587247428 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc2c1 ZINC000587247439 IJ Annotated Anodyne CC1=C(c2ccc3nc(-c4cc5ccccc5cc4NC(=O)C(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587247925 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(OC)cc(C)c5N)[nH]c4c3)o2)cc1 ZINC000587249234 IJ Annotated Anodyne CC(C)CCOc1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cc1Br ZINC000587249383 IJ Annotated Anodyne Cc1ccc(CCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1N ZINC000587250778 IJ Annotated Anodyne Cc1ccc(CCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1N ZINC000587251082 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1 ZINC000587251507 IJ Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587251538 IJ Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587251578 IJ Annotated Anodyne COC(=O)c1cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587251591 IJ Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587251700 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(N)cc5ccccc45)[nH]c3c2)cc1 ZINC000587251882 IJ Annotated Anodyne COc1cncc(N)c1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 ZINC000587252831 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(N)nc6ccccc56)[nH]c4c3)o2)cc1 ZINC000587253436 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc4ccccc4c3N)[nH]c2c1 ZINC000587253488 IJ Annotated Anodyne Nc1ncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(O)n1 ZINC000587253902 IJ Annotated Reactive Nc1ncc(-c2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)cn1 ZINC000587254025 IJ Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cn1 ZINC000587254137 IJ Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cnc(N)nc3O)[nH]c2cc1Br ZINC000587254229 IJ Annotated Mild Nc1ncc(-c2cccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2)cn1 ZINC000587254497 IJ Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)cn1 ZINC000587254535 IJ Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cn1 ZINC000587254558 IJ Annotated Anodyne COC(=O)c1cc2nc(-c3cc(N)nc4ccccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587254750 IJ Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cn1 ZINC000587254841 IJ Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)=C1N ZINC000587255145 IJ Annotated Reactive N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587258208 IJ Annotated Anodyne N[C@@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)c1cccc2ccccc12 ZINC000587258280 IJ Annotated Anodyne CC(C)[C@H](N)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587258632 IJ Annotated Bother N[C@@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1cccc2ccccc12 ZINC000587259026 IJ Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc2c1 ZINC000587259081 IJ Annotated Mild N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587259446 IJ Annotated Anodyne N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587259450 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](N)c3cccc4ccccc34)nc2c1 ZINC000587259603 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCCCCCN=[N+]=[N-])[nH]c3c2)cc1 ZINC000587259758 IJ Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 ZINC000587260313 IJ Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H](N)CCCNC(=O)OCc4ccccc4)[nH]c3c2)cc1 ZINC000587260403 IJ Annotated Clean COC(=O)CC[C@H](N)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587260566 IJ Annotated Reactive COc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260717 IJ Annotated Bother COc1cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260890 IJ Annotated Bother COc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261005 IJ Annotated Bother COc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261060 IJ Annotated Bother COc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261113 IJ Annotated Bother CCCOc1cc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2cc1Br ZINC000587261240 IJ Annotated Bother COCCNc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261418 IJ Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(C#Cc4ccc([N+](=O)[O-])c(C)c4)[nH]c3c2)cc1 ZINC000587261614 IJ Annotated Mild Cc1cc(C#Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261660 IJ Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 ZINC000587261667 IJ Annotated Bother COCCNc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261814 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Br)cc2[nH]1 ZINC000587261831 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Br)cc2[nH]1 ZINC000587261836 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587261871 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587261872 IJ Annotated Bother Cc1cc(C#Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261907 IJ Annotated Mild CCCOc1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587261942 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587261962 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587261963 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587261966 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587261967 IJ Annotated Bother O=CC(C=O)c1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261971 IJ Annotated Mild COCCNc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262003 IJ Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262016 IJ Annotated Mild COCCNc1ccc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262058 IJ Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(CCOc4cc(C)ccc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587262078 IJ Annotated Bother Cc1cc(C#Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262107 IJ Annotated Mild CCCOc1cc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587262309 IJ Annotated Bother Cc1cc(C#Cc2nc3c(Br)ccc(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262315 IJ Annotated Mild Cc1cc(C#Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262448 IJ Annotated Mild CCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cc1Br ZINC000587262504 IJ Annotated Bother Cc1cc(C#Cc2nc3cc(Br)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262808 IJ Annotated Mild COC(=O)c1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587262819 IJ Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587262844 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587262845 IJ Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(COc4ccc([N+](=O)[O-])c(OC)c4)[nH]c3c2)cc1 ZINC000587262905 IJ Annotated Bother COc1cc(OCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263077 IJ Annotated Bother COc1cc(OCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263102 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587263235 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587263237 IJ Annotated Bother COc1cc(OCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263357 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587263449 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587263451 IJ Annotated Bother CC(C)Oc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587263532 IJ Annotated Bother COc1cc(OCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263592 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587263651 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587263653 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587263665 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587263666 IJ Annotated Bother COc1cc(OCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263672 IJ Annotated Bother CCCCOc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587263892 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587264021 IJ Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587264022 IJ Annotated Mild C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587264185 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587264416 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587264417 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587264466 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587264467 IJ Annotated Bother CCCOc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587264551 IJ Annotated Bother O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12 ZINC000587264572 IJ Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587264657 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587264809 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587264813 IJ Annotated Bother Cc1c(Br)cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1C ZINC000587264957 IJ Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587265031 IJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587265053 IJ Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)cc1 ZINC000587265093 IJ Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587265096 IJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587265152 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587265281 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587265282 IJ Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587265416 IJ Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587265505 IJ Annotated Bother CC(C)COc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587265528 IJ Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587265655 IJ Annotated Bother COC(=O)c1cc(Br)c2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1 ZINC000587265790 IJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cccc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587265803 IJ Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587265867 IJ Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587265883 IJ Annotated Clean C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587266058 IJ Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587266116 IJ Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587266269 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587266278 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587266280 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(Br)c2[nH]1 ZINC000587266283 IJ Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(Br)c2[nH]1 ZINC000587266285 IJ Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587266353 IJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587266991 IJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(Br)c(F)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267085 IJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267219 IJ Annotated Mild Cc1nn(Cc2ccccc2-c2nc3cc(Br)cc(F)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267245 IJ Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587267269 IJ Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587267272 IJ Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587267274 IJ Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587267276 IJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(Br)c(F)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267281 IJ Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587267295 IJ Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587267299 IJ Annotated Bother CC(C)COc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Br ZINC000587267301 IJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267318 IJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(F)cc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267354 IJ Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587267603 IJ Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(F)c(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267626 IJ Annotated Bother CCCCCOc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000587267778 IJ Annotated Bother CCCCCOc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000587267779 IJ Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587267841 IJ Annotated Bother CCCCOc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Br ZINC000587268063 IJ Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587268168 IJ Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587268288 IJ Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587268355 IJ Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587268395 IJ Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587268406 IJ Annotated Bother CC(C)CCOc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587268416 IJ Annotated Bother CCCCCOc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587268431 IJ Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587268741 IJ Annotated Bother CC(C)COc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br ZINC000587268748 IJ Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587268753 IJ Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587269004 IJ Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587269073 IJ Annotated Bother O=C(O)c1cc(Br)cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 ZINC000587269414 IJ Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587269551 IJ Annotated Bother Cc1c(Br)ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 ZINC000587269788 IJ Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587269804 IJ Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587269939 IJ Annotated Bother CC(C)COc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000587270047 IJ Annotated Bother Cc1cc(Br)c2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2c1 ZINC000587270215 IJ Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccc(I)c4[nH]3)c2)c1 ZINC000587270329 IJ Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587270375 IJ Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587270395 IJ Annotated Bother CCCCOc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br ZINC000587270435 IJ Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c21 ZINC000587270450 IJ Annotated Clean O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587270460 IJ Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)nn2)c1 ZINC000587270603 IJ Annotated Bother Cc1cc(Br)cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 ZINC000587270619 IJ Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c21 ZINC000587270688 IJ Annotated Clean O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587270690 IJ Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)nn2)c1 ZINC000587270698 IJ Annotated Bother CCCCOc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000587270860 IJ Annotated Bother CC(C)CCOc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000587270929 IJ Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587270943 IJ Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)c1 ZINC000587270973 IJ Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272208 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272210 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272212 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccnc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272213 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)nc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272239 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)nc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272241 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)nc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272242 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)nc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272243 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272423 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272425 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272426 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272428 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)ccnc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272642 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)ccnc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272645 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)ccnc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272647 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)ccnc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272648 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cnc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272671 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cnc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272672 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cnc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272673 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cnc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272677 IJ Annotated Clean COC(=O)CCCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587272823 IJ Annotated Anodyne O=C(c1ccc(Br)cc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587272865 IJ Annotated Anodyne O=C(/C=C/c1ccccc1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587272893 IJ Annotated Mild O=C(c1ccc(Cl)c(Br)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587272936 IJ Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)ncc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587273053 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)ncc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587273054 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)ncc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587273055 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)ncc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587273056 IJ Annotated Clean CCCCCOc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Br ZINC000587273284 IJ Annotated Bother O=C(c1cc(Cl)cc(Br)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587273744 IJ Annotated Anodyne COc1ccc(C2(C(=O)c3c(CO)oc4cc(Br)cnc34)CCCC2)cc1 ZINC000587273845 IJ Annotated Anodyne CCOc1ccc(/C=C\C(=O)c2c(CO)oc3cc(Br)cnc23)cc1OCC ZINC000587273982 IJ Annotated Mild CCOc1ccc(/C=C/C(=O)c2c(CO)oc3cc(Br)cnc23)cc1OCC ZINC000587273984 IJ Annotated Mild O=C(Cl)/C=C/c1ccc(/C=C\C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587274060 IJ Annotated Reactive O=C(Cl)/C=C/c1ccc(/C=C/C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587274063 IJ Annotated Reactive O=C(Cl)/C=C\c1ccc(/C=C\C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587274064 IJ Annotated Reactive O=C(Cl)/C=C\c1ccc(/C=C/C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587274065 IJ Annotated Reactive O=C(c1ccc(Br)c(Cl)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587274093 IJ Annotated Anodyne Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)c1Br ZINC000587274404 IJ Annotated Anodyne N[C@@H](CCc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587274421 IJ Annotated Bother O=C(CCc1ccccc1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587274467 IJ Annotated Anodyne O=C(c1cc(Br)ccc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587274649 IJ Annotated Anodyne O=C(c1c(Cl)cccc1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587274683 IJ Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 ZINC000587275271 IJ Annotated Clean CCOC(=O)Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 ZINC000587275272 IJ Annotated Clean CCOC(=O)Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587275273 IJ Annotated Clean CCOC(=O)Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587275274 IJ Annotated Clean O=C(c1cc(-c2ccc(Cl)cc2)on1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275540 IJ Annotated Anodyne O=C(c1ccccc1)c1ccccc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275578 IJ Annotated Anodyne C[C@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275773 IJ Annotated Bother C[C@@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275776 IJ Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275783 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275788 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275789 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(-n4cccn4)c(F)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275791 IJ Annotated Clean O=C(c1ccc(SC(F)(F)F)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275850 IJ Annotated Anodyne Cc1nc(-c2cccc(C(=O)c3c(CO)oc4cc(Br)cnc34)c2)cs1 ZINC000587275902 IJ Annotated Anodyne O=C(c1cc(Cl)ccc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587275948 IJ Annotated Anodyne C[C@@H](Oc1ccc(F)cc1Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275952 IJ Annotated Anodyne C[C@H](Oc1ccc(F)cc1Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275955 IJ Annotated Anodyne O=C(c1c(Cl)cnc(Cl)c1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587275956 IJ Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276001 IJ Annotated Anodyne O=C(c1ccc(Oc2ccccc2)nc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276009 IJ Annotated Anodyne O=C(c1cccc(OCc2ccccc2)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276290 IJ Annotated Anodyne Cc1ccc(Oc2ncccc2C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587276337 IJ Annotated Anodyne Cc1cc(OC(F)(F)F)ccc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276359 IJ Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OCCN(C)C)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276377 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OCCN(C)C)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276378 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OCCN(C)C)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276379 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OCCN(C)C)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276380 IJ Annotated Clean O=C1c2ccccc2-c2c1cccc2C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276388 IJ Annotated Anodyne O=C(/C=C/c1cccc(C(F)(F)F)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276409 IJ Annotated Mild C[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276569 IJ Annotated Bother C[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276570 IJ Annotated Bother O=C(COc1ccc(Cl)cc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587276594 IJ Annotated Anodyne O=C(c1cc(C(F)(F)F)ccc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587276657 IJ Annotated Anodyne O=C(c1ccc(C(F)(F)F)c(F)c1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276678 IJ Annotated Anodyne O=C(c1ccccc1OCc1ccccc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276708 IJ Annotated Anodyne CCCCCOc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br ZINC000587276851 IJ Annotated Bother CCCCCOc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br ZINC000587276852 IJ Annotated Bother O=C(c1ccc(Cl)cc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276946 IJ Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587277004 IJ Annotated Anodyne Cc1cc(Cl)cc(Cl)c1OCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587277084 IJ Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)[C@@H]1CC=C[C@@H]21 ZINC000587277160 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)[C@@H]1CC=C[C@H]21 ZINC000587277161 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)[C@H]1CC=C[C@@H]21 ZINC000587277162 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4c(cc3[nH]1)OC(F)(F)O4)[C@H]1CC=C[C@H]21 ZINC000587277163 IJ Annotated Clean CC(C)CCOc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br ZINC000587277190 IJ Annotated Bother CC(C)CCOc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br ZINC000587277191 IJ Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)cnc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277378 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)cnc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277379 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)cnc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277380 IJ Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(F)cnc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277381 IJ Annotated Clean N#Cc1ccc2c(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3C(F)(F)F)coc2c1 ZINC000587277876 IJ Annotated Mild N#Cc1ccc2c(C(=O)[C@H](Br)CC[C@H](Br)C(=O)Cl)coc2c1 ZINC000587277980 IJ Annotated Reactive N#Cc1ccc2c(C(=O)[C@@H](Br)CC[C@@H](Br)C(=O)Cl)coc2c1 ZINC000587277989 IJ Annotated Reactive N#Cc1ccc2c(C(=O)[C@@H](Br)CC[C@H](Br)C(=O)Cl)coc2c1 ZINC000587277990 IJ Annotated Reactive N#Cc1ccc2c(C(=O)[C@H](Br)CC[C@@H](Br)C(=O)Cl)coc2c1 ZINC000587277991 IJ Annotated Reactive O=C(c1ccc(Cl)cc1I)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279841 IJ Annotated Bother N#Cc1ccc2c(C(=O)c3cc4ccccc4n3S(=O)(=O)c3ccccc3)coc2c1 ZINC000587279888 IJ Annotated Mild Cc1nn(Cc2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)o2)c(C)c1Br ZINC000587280010 IJ Annotated Bother O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280170 IJ Annotated Bother O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280224 IJ Annotated Bother O=C(c1coc2cc([N+](=O)[O-])ccc12)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 ZINC000587280282 IJ Annotated Bother O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280490 IJ Annotated Bother C[C@@]1(c2ncccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319630 IJ Annotated Anodyne C[C@]1(c2ncccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319631 IJ Annotated Anodyne C[C@]1(c2ncccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319633 IJ Annotated Anodyne C[C@@]1(c2ncccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319634 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587320155 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587320159 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587320164 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587320171 IJ Annotated Reactive C[C@@]1(c2ccc(Br)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320480 IJ Annotated Anodyne C[C@@]1(c2ccc(Br)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320482 IJ Annotated Anodyne C[C@]1(c2ccc(Br)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320483 IJ Annotated Anodyne C[C@]1(c2ccc(Br)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320484 IJ Annotated Anodyne C[C@]1(c2cccnc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321699 IJ Annotated Anodyne C[C@@]1(c2cccnc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321700 IJ Annotated Anodyne C[C@@]1(c2cccnc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321704 IJ Annotated Anodyne C[C@]1(c2cccnc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321713 IJ Annotated Anodyne C[C@]1([C@H](Cl)C(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321798 IJ Annotated Reactive C[C@]1([C@H](Cl)C(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321801 IJ Annotated Reactive C[C@]1([C@@H](Cl)C(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321802 IJ Annotated Reactive C[C@]1([C@@H](Cl)C(=O)Nc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321805 IJ Annotated Reactive CCn1cc(Br)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587322021 IJ Annotated Anodyne CCn1cc(Br)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587322029 IJ Annotated Anodyne CCn1cc(Br)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587322030 IJ Annotated Anodyne CCn1cc(Br)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587322032 IJ Annotated Anodyne C[C@@]1(c2cncc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322901 IJ Annotated Anodyne C[C@@]1(c2cncc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322904 IJ Annotated Anodyne C[C@]1(c2cncc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322905 IJ Annotated Anodyne C[C@]1(c2cncc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322906 IJ Annotated Anodyne CCn1ncc(Br)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323307 IJ Annotated Anodyne CCn1ncc(Br)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323312 IJ Annotated Anodyne CCn1ncc(Br)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323315 IJ Annotated Anodyne CCn1ncc(Br)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323317 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587323623 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587323624 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587323625 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587323626 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000587323631 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000587323632 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000587323633 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000587323634 IJ Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323681 IJ Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323682 IJ Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323683 IJ Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323684 IJ Annotated Reactive Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324290 IJ Annotated Reactive Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324292 IJ Annotated Reactive Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324294 IJ Annotated Reactive Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324296 IJ Annotated Reactive O=C[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324304 IJ Annotated Mild O=C[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324309 IJ Annotated Mild O=C[C@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324311 IJ Annotated Mild O=C[C@@]1(c2cccc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324313 IJ Annotated Mild Cc1nc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587324331 IJ Annotated Reactive Cc1nc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587324334 IJ Annotated Reactive Cc1nc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587324335 IJ Annotated Reactive Cc1nc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587324336 IJ Annotated Reactive O=C[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324405 IJ Annotated Mild O=C[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324406 IJ Annotated Mild O=C[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324407 IJ Annotated Mild O=C[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324408 IJ Annotated Mild C[C@@]1(c2cccc(Br)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324598 IJ Annotated Anodyne C[C@@]1(c2cccc(Br)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324599 IJ Annotated Anodyne C[C@]1(c2cccc(Br)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324600 IJ Annotated Anodyne C[C@]1(c2cccc(Br)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324601 IJ Annotated Anodyne C[C@@]1(c2cc(Br)ccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324798 IJ Annotated Anodyne C[C@@]1(c2cc(Br)ccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324800 IJ Annotated Anodyne C[C@]1(c2cc(Br)ccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324802 IJ Annotated Anodyne C[C@]1(c2cc(Br)ccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324803 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324842 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324845 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324847 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324849 IJ Annotated Anodyne O=C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324850 IJ Annotated Mild O=C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324851 IJ Annotated Mild O=C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324854 IJ Annotated Mild O=C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324856 IJ Annotated Mild C[C@@]1(c2ccncc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324888 IJ Annotated Anodyne C[C@@]1(c2ccncc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324890 IJ Annotated Anodyne C[C@]1(c2ccncc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324892 IJ Annotated Anodyne C[C@]1(c2ccncc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324893 IJ Annotated Anodyne COC(=O)[C@]1([C@H](Cl)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324973 IJ Annotated Reactive COC(=O)[C@]1([C@H](Cl)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324974 IJ Annotated Reactive COC(=O)[C@]1([C@@H](Cl)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324975 IJ Annotated Reactive COC(=O)[C@]1([C@@H](Cl)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324976 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3nc(O)oc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587325472 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3nc(O)oc3c2)[C@H]1c1ccc(F)cc1 ZINC000587325473 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3nc(O)oc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587325474 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3nc(O)oc3c2)[C@H]1c1ccc(F)cc1 ZINC000587325475 IJ Annotated Reactive C[C@@]1(c2ccc(Br)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325807 IJ Annotated Anodyne C[C@@]1(c2ccc(Br)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325809 IJ Annotated Anodyne C[C@]1(c2ccc(Br)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325810 IJ Annotated Anodyne C[C@]1(c2ccc(Br)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325811 IJ Annotated Anodyne C[C@]1(c2cccc(NC(=O)CCl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326312 IJ Annotated Reactive C[C@]1(c2cccc(NC(=O)CCl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326313 IJ Annotated Reactive C[C@@]1(c2cccc(NC(=O)CCl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326314 IJ Annotated Reactive C[C@@]1(c2cccc(NC(=O)CCl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326315 IJ Annotated Reactive CCOC(=O)C(F)(F)[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326529 IJ Annotated Anodyne NC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326532 IJ Annotated Reactive CCOC(=O)C(F)(F)[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326534 IJ Annotated Anodyne NC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326535 IJ Annotated Reactive NC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326537 IJ Annotated Reactive CCOC(=O)C(F)(F)[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326538 IJ Annotated Anodyne NC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326540 IJ Annotated Reactive CCOC(=O)C(F)(F)[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326541 IJ Annotated Anodyne CCOC(=O)[C@]1(CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326851 IJ Annotated Anodyne CCOC(=O)[C@@]1(CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326856 IJ Annotated Anodyne CCOC(=O)[C@@]1(CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326857 IJ Annotated Anodyne CCOC(=O)[C@]1(CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326860 IJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327099 IJ Annotated Reactive C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327108 IJ Annotated Reactive C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327109 IJ Annotated Reactive C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327110 IJ Annotated Reactive COc1ccc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587327326 IJ Annotated Anodyne COc1ccc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587327327 IJ Annotated Anodyne COc1ccc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587327328 IJ Annotated Anodyne COc1ccc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587327329 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3nc(O)[nH]c3c2)[C@@H]1c1ccc(F)cc1 ZINC000587327330 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3nc(O)[nH]c3c2)[C@H]1c1ccc(F)cc1 ZINC000587327331 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3nc(O)[nH]c3c2)[C@@H]1c1ccc(F)cc1 ZINC000587327332 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3nc(O)[nH]c3c2)[C@H]1c1ccc(F)cc1 ZINC000587327333 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587327878 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000587327879 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000587327880 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587327881 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(O)c(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587327907 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(O)c(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587327912 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(O)c(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587327914 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(O)c(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587327915 IJ Annotated Anodyne CCOC(=O)[C@]1(CCCCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327991 IJ Annotated Reactive CCOC(=O)[C@]1(CCCCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327996 IJ Annotated Reactive CCOC(=O)[C@@]1(CCCCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327998 IJ Annotated Reactive CCOC(=O)[C@@]1(CCCCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328000 IJ Annotated Reactive C[C@@]1(c2c(F)ccc(F)c2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328285 IJ Annotated Anodyne C[C@]1(c2c(F)ccc(F)c2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328289 IJ Annotated Anodyne CN(C=O)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328493 IJ Annotated Reactive CN(C=O)c1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328499 IJ Annotated Reactive CN(C=O)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328501 IJ Annotated Reactive CN(C=O)c1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328503 IJ Annotated Reactive C[C@@]1(c2c(F)ccc(F)c2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328567 IJ Annotated Anodyne C[C@]1(c2c(F)ccc(F)c2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328568 IJ Annotated Anodyne C[C@]1(c2ccccc2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328605 IJ Annotated Reactive C[C@]1(c2ccccc2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328608 IJ Annotated Reactive C[C@@]1(c2ccccc2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328613 IJ Annotated Reactive C[C@@]1(c2ccccc2NC(=O)CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328614 IJ Annotated Reactive C[C@]1(Cn2cc(C(F)(F)F)ccc2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328691 IJ Annotated Anodyne C[C@@]1(Cn2cc(C(F)(F)F)ccc2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328696 IJ Annotated Anodyne C[C@]1(Cn2cc(C(F)(F)F)ccc2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328697 IJ Annotated Anodyne C[C@@]1(Cn2cc(C(F)(F)F)ccc2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328698 IJ Annotated Anodyne COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328986 IJ Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328987 IJ Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328988 IJ Annotated Bother COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328989 IJ Annotated Bother C[C@]1(c2cn(Cc3ccc(F)cc3)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328990 IJ Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(F)cc3)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328991 IJ Annotated Anodyne C[C@]1(c2cn(Cc3ccc(F)cc3)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328992 IJ Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(F)cc3)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328993 IJ Annotated Anodyne CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587329062 IJ Annotated Anodyne CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587329066 IJ Annotated Anodyne CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587329068 IJ Annotated Anodyne CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587329070 IJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329113 IJ Annotated Reactive CC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329122 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329123 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329124 IJ Annotated Reactive O=C(O)CC[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329168 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329176 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329177 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329178 IJ Annotated Anodyne Cc1oc(C(=O)O)cc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329270 IJ Annotated Reactive Cc1oc(C(=O)O)cc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329272 IJ Annotated Reactive Cc1oc(C(=O)O)cc1[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329275 IJ Annotated Reactive Cc1oc(C(=O)O)cc1[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329278 IJ Annotated Reactive COC(=O)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329424 IJ Annotated Anodyne COC(=O)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329425 IJ Annotated Anodyne COC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329426 IJ Annotated Anodyne COC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329427 IJ Annotated Anodyne COC(=O)c1cccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587329458 IJ Annotated Reactive COC(=O)c1cccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587329461 IJ Annotated Reactive COC(=O)c1cccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587329463 IJ Annotated Reactive COC(=O)c1cccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587329465 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(C(F)(F)F)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587329497 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(C(F)(F)F)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587329502 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(C(F)(F)F)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587329505 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(C(F)(F)F)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587329507 IJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(c3ncc4c(Cl)nccn34)C2)[C@@H]1c1ccc(F)cc1 ZINC000587329576 IJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC(c3ncc4c(Cl)nccn34)C2)[C@H]1c1ccc(F)cc1 ZINC000587329584 IJ Annotated Anodyne COC(=O)C[C@@]1(Cc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329769 IJ Annotated Anodyne COC(=O)C[C@]1(Cc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329771 IJ Annotated Anodyne COC(=O)C[C@@]1(Cc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329774 IJ Annotated Anodyne COC(=O)C[C@]1(Cc2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329776 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329898 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329902 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329907 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329908 IJ Annotated Anodyne COc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329974 IJ Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329976 IJ Annotated Anodyne COc1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329978 IJ Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329980 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1-c1ccc(F)cc1 ZINC000587330272 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1-c1ccc(F)cc1 ZINC000587330274 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1-c1ccc(F)cc1 ZINC000587330278 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1-c1ccc(F)cc1 ZINC000587330284 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330299 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330301 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330303 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330306 IJ Annotated Anodyne COC(=O)CC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330376 IJ Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330378 IJ Annotated Anodyne COC(=O)CC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330380 IJ Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330381 IJ Annotated Anodyne CC1(NC(=O)OC(C)(C)C)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587330426 IJ Annotated Anodyne CC1(NC(=O)OC(C)(C)C)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587330430 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CC2OCCO2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587330870 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC2OCCO2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587330877 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CC2OCCO2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587330878 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC2OCCO2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587330880 IJ Annotated Anodyne C[C@@]1(c2ccc(N3CCCC3)nc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330911 IJ Annotated Anodyne C[C@]1(c2ccc(N3CCCC3)nc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330915 IJ Annotated Anodyne C[C@@]1(c2ccc(N3CCCC3)nc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330916 IJ Annotated Anodyne C[C@]1(c2ccc(N3CCCC3)nc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330918 IJ Annotated Anodyne C[C@]1(c2cc(F)nc(N3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330942 IJ Annotated Anodyne C[C@@]1(c2cc(F)nc(N3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330944 IJ Annotated Anodyne C[C@]1(c2cc(F)nc(N3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330945 IJ Annotated Anodyne C[C@@]1(c2cc(F)nc(N3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330948 IJ Annotated Anodyne Nc1cccc([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587330994 IJ Annotated Anodyne Nc1cccc([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587330998 IJ Annotated Anodyne Nc1cccc([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587330999 IJ Annotated Anodyne Nc1cccc([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587331000 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331105 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331106 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331107 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331108 IJ Annotated Anodyne CC(C)Cn1cc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587331129 IJ Annotated Anodyne CC(C)Cn1cc([C@@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587331136 IJ Annotated Anodyne CC(C)Cn1cc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587331138 IJ Annotated Anodyne CC(C)Cn1cc([C@]2(C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587331140 IJ Annotated Anodyne CN(C)/C=C/[C@]1(c2cccnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331197 IJ Annotated Anodyne CN(C)/C=C\[C@]1(c2cccnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331201 IJ Annotated Anodyne CN(C)/C=C/[C@]1(c2cccnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331206 IJ Annotated Anodyne CN(C)/C=C\[C@]1(c2cccnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331208 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331391 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331393 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331396 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331400 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c2ccc(Cl)c3F)[C@H]1c1ccc(F)cc1 ZINC000587331468 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c2ccc(Cl)c3F)[C@H]1c1ccc(F)cc1 ZINC000587331469 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c2ccc(Cl)c3F)[C@@H]1c1ccc(F)cc1 ZINC000587331470 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c2ccc(Cl)c3F)[C@@H]1c1ccc(F)cc1 ZINC000587331471 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331472 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331473 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331474 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331475 IJ Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331727 IJ Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331751 IJ Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331753 IJ Annotated Anodyne CN(C)/C=C/[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331755 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587331774 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587331781 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587331787 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](F)C1 ZINC000587331788 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587331791 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](F)C1 ZINC000587331795 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](F)C1 ZINC000587331798 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](F)C1 ZINC000587331800 IJ Annotated Anodyne C[C@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331883 IJ Annotated Bother C[C@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331887 IJ Annotated Bother C[C@@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331893 IJ Annotated Bother C[C@@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331900 IJ Annotated Bother O=C(O)CC[C@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331983 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331985 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331987 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331989 IJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3ccc(F)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587332120 IJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3ccc(F)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587332121 IJ Annotated Anodyne Nc1ncccc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332128 IJ Annotated Anodyne Nc1ncccc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332129 IJ Annotated Anodyne Nc1ncccc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332130 IJ Annotated Anodyne Nc1ncccc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332131 IJ Annotated Anodyne Cn1ccnc1[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332157 IJ Annotated Anodyne Cn1ccnc1[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332158 IJ Annotated Anodyne Cn1ccnc1[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332161 IJ Annotated Anodyne Cn1ccnc1[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332163 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332175 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332176 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332178 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332180 IJ Annotated Anodyne C[C@H](Oc1cccnc1)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332187 IJ Annotated Anodyne C[C@H](Oc1cccnc1)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332189 IJ Annotated Anodyne C[C@H](Oc1cccnc1)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332191 IJ Annotated Anodyne C[C@H](Oc1cccnc1)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332193 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cccc(C(F)(F)F)c32)[C@H]1c1ccc(F)cc1 ZINC000587332413 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cccc(C(F)(F)F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587332419 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cccc(C(F)(F)F)c32)[C@H]1c1ccc(F)cc1 ZINC000587332424 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332429 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cccc(C(F)(F)F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587332430 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(C(F)(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587332433 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332437 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(C(F)(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587332439 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(C(F)(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587332440 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(C(F)(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587332441 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332446 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332449 IJ Annotated Anodyne Cn1ccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587332703 IJ Annotated Anodyne Cn1ccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587332704 IJ Annotated Anodyne Cn1ccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587332706 IJ Annotated Anodyne Cn1ccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587332708 IJ Annotated Anodyne COc1cccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587332839 IJ Annotated Anodyne COc1cccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587332844 IJ Annotated Anodyne COc1cccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587332845 IJ Annotated Anodyne COc1cccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587332847 IJ Annotated Anodyne C[C@]1(CC(=O)NC2CCCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332997 IJ Annotated Anodyne C[C@@]1(CC(=O)NC2CCCCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333000 IJ Annotated Anodyne C[C@]1(CC(=O)NC2CCCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333002 IJ Annotated Anodyne C[C@@]1(CC(=O)NC2CCCCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333003 IJ Annotated Anodyne Nc1ccc(C2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333139 IJ Annotated Anodyne Nc1ccc(C2(c3ccc(N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333142 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333285 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333287 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333289 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333292 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333294 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333296 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333297 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333298 IJ Annotated Anodyne COc1cc(F)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587333305 IJ Annotated Anodyne COc1cc(F)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587333309 IJ Annotated Anodyne COc1cc(F)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587333311 IJ Annotated Anodyne COc1cc(F)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587333312 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)cc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587333497 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)cc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587333501 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)cc(Cl)c32)[C@H]1c1ccc(F)cc1 ZINC000587333503 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)cc(Cl)c32)[C@@H]1c1ccc(F)cc1 ZINC000587333510 IJ Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587333672 IJ Annotated Anodyne COc1cccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587333674 IJ Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587333676 IJ Annotated Anodyne COc1cccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587333681 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333874 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333875 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333876 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333878 IJ Annotated Anodyne Cc1ccc([C@]2(c3ncccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333896 IJ Annotated Anodyne Cc1ccc([C@@]2(c3ncccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333899 IJ Annotated Anodyne Cc1ccc([C@]2(c3ncccn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333901 IJ Annotated Anodyne Cc1ccc([C@@]2(c3ncccn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333905 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334156 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334158 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334159 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334162 IJ Annotated Anodyne COc1ccc([C@]2(CCN(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334428 IJ Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334459 IJ Annotated Anodyne COc1ccc([C@@]2(CCN(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334461 IJ Annotated Anodyne COc1ccc([C@]2(CCN(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334464 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334673 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334675 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334677 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334678 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(C(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334778 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(C(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587334779 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc(C(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587334780 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc(C(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587334781 IJ Annotated Anodyne C[C@@]1(c2sc(N)nc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334790 IJ Annotated Anodyne C[C@@]1(c2sc(N)nc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334791 IJ Annotated Anodyne C[C@]1(c2sc(N)nc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334792 IJ Annotated Anodyne C[C@]1(c2sc(N)nc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334793 IJ Annotated Anodyne CC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000587335126 IJ Annotated Anodyne CC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000587335133 IJ Annotated Anodyne CC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000587335138 IJ Annotated Anodyne CC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000587335144 IJ Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335241 IJ Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335246 IJ Annotated Anodyne CCC[C@@]1(c2cc3c(cc2N)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335249 IJ Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335250 IJ Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(F)c(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335253 IJ Annotated Anodyne CCC[C@]1(c2cc3c(cc2N)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335285 IJ Annotated Anodyne CCC[C@]1(c2cc3c(cc2N)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335288 IJ Annotated Anodyne CCC[C@@]1(c2cc3c(cc2N)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335291 IJ Annotated Anodyne C[C@@]1(c2cc(Cl)cnc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335482 IJ Annotated Anodyne C[C@@]1(c2cc(Cl)cnc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335484 IJ Annotated Anodyne C[C@]1(c2cc(Cl)cnc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335485 IJ Annotated Anodyne C[C@]1(c2cc(Cl)cnc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335486 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335515 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335517 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335519 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335520 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335521 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335522 IJ Annotated Anodyne CN(C)CCOc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587335537 IJ Annotated Anodyne CN(C)CCOc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587335538 IJ Annotated Anodyne CN(C)CCOc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587335539 IJ Annotated Anodyne CN(C)CCOc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587335540 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335595 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335597 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335600 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335602 IJ Annotated Anodyne CN(C)/C=C(\C#N)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335611 IJ Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335613 IJ Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335615 IJ Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335617 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2ccncn2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335659 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccncn2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335661 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccncn2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335663 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccncn2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335666 IJ Annotated Anodyne O=C(NC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587335675 IJ Annotated Anodyne O=C(NC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587335685 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cnccn2)[C@@H]1c1ccc(F)cc1 ZINC000587335700 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cnccn2)[C@@H]1c1ccc(F)cc1 ZINC000587335711 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cnccn2)[C@H]1c1ccc(F)cc1 ZINC000587335712 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cnccn2)[C@H]1c1ccc(F)cc1 ZINC000587335716 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335765 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335770 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335782 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335786 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335788 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335793 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587335796 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587335800 IJ Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335818 IJ Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335822 IJ Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335827 IJ Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335832 IJ Annotated Anodyne Cn1ccnc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335911 IJ Annotated Anodyne Cn1ccnc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335915 IJ Annotated Anodyne Cn1ccnc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335917 IJ Annotated Anodyne Cn1ccnc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335921 IJ Annotated Anodyne Nc1ccc([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336035 IJ Annotated Anodyne Nc1ccc([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336037 IJ Annotated Anodyne Nc1ccc([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336039 IJ Annotated Anodyne Nc1ccc([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336041 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336151 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336153 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336156 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336158 IJ Annotated Anodyne C[C@H](NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587336188 IJ Annotated Anodyne C[C@H](NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587336189 IJ Annotated Anodyne C[C@H](NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587336191 IJ Annotated Anodyne C[C@H](NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587336192 IJ Annotated Anodyne CCC[C@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336236 IJ Annotated Anodyne CCC[C@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336242 IJ Annotated Anodyne CCC[C@@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336245 IJ Annotated Anodyne CCC[C@@]1(CNC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336246 IJ Annotated Anodyne O=C(O)CC[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336247 IJ Annotated Anodyne O=C(O)CC[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336250 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336252 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336259 IJ Annotated Anodyne CC(=O)OC[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336311 IJ Annotated Anodyne CC(=O)OC[C@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336317 IJ Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336321 IJ Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336323 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cnccn2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587336433 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cnccn2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587336438 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC(F)(F)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336441 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cnccn2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587336444 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC(F)(F)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336445 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cnccn2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587336449 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC(F)(F)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336450 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC(F)(F)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336455 IJ Annotated Anodyne COc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587336532 IJ Annotated Bother Cc1ccc([C@]2(CCn3cncn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336533 IJ Annotated Anodyne COc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587336535 IJ Annotated Bother COc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587336536 IJ Annotated Bother COc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587336537 IJ Annotated Bother Cc1ccc([C@@]2(CCn3cncn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336540 IJ Annotated Anodyne Cc1ccc([C@@]2(CCn3cncn3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336543 IJ Annotated Anodyne Cc1ccc([C@]2(CCn3cncn3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336547 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587336605 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587336615 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587336619 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587336621 IJ Annotated Anodyne C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336669 IJ Annotated Anodyne C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336675 IJ Annotated Anodyne C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336677 IJ Annotated Anodyne C[C@@H]1C(=O)Oc2ccc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336679 IJ Annotated Anodyne Cc1ccc([C@]2(c3nccn3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336827 IJ Annotated Anodyne Cc1ccc([C@@]2(c3nccn3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336835 IJ Annotated Anodyne Cc1ccc([C@]2(c3nccn3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587336837 IJ Annotated Anodyne Cc1ccc([C@@]2(c3nccn3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587336841 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336898 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336900 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC12CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336912 IJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587336914 IJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587336915 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC12CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336916 IJ Annotated Anodyne C=CN1CCCC[C@H]([C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587336918 IJ Annotated Anodyne C=CN1CCCC[C@H]([C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587336920 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336984 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336990 IJ Annotated Anodyne O=C(N[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587337078 IJ Annotated Anodyne O=C(N[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587337081 IJ Annotated Anodyne O=C(N[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587337086 IJ Annotated Anodyne O=C(N[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCc1ccccc1 ZINC000587337092 IJ Annotated Anodyne CC(C)(C)OC(=O)NCC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337302 IJ Annotated Anodyne CC(C)(C)OC(=O)NCC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337306 IJ Annotated Anodyne COc1ccccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337402 IJ Annotated Anodyne COc1ccccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337405 IJ Annotated Anodyne COc1ccccc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337408 IJ Annotated Anodyne COc1ccccc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337410 IJ Annotated Anodyne COc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337461 IJ Annotated Anodyne COc1ccc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337465 IJ Annotated Anodyne COc1ccc([C@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337469 IJ Annotated Anodyne COc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337471 IJ Annotated Anodyne COc1ccc([C@]2(/C=C\N(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337473 IJ Annotated Anodyne COc1ccc([C@@]2(/C=C/N(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337475 IJ Annotated Anodyne COc1ccc(-n2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn2)cc1 ZINC000587337502 IJ Annotated Anodyne COc1ccc(-n2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn2)cc1 ZINC000587337504 IJ Annotated Anodyne COc1ccc(-n2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn2)cc1 ZINC000587337507 IJ Annotated Anodyne COc1ccc(-n2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn2)cc1 ZINC000587337509 IJ Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1ccco1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337574 IJ Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1ccco1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337575 IJ Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1ccco1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337576 IJ Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1ccco1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337577 IJ Annotated Anodyne Cn1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O ZINC000587337594 IJ Annotated Anodyne Cn1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O ZINC000587337595 IJ Annotated Anodyne Cn1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O ZINC000587337596 IJ Annotated Anodyne Cn1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O ZINC000587337597 IJ Annotated Anodyne CC(C)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337701 IJ Annotated Anodyne CC(C)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337702 IJ Annotated Anodyne CC(C)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337704 IJ Annotated Anodyne CC(C)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337706 IJ Annotated Anodyne C[C@H](C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC000587337788 IJ Annotated Anodyne Cc1ccccc1C(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337801 IJ Annotated Anodyne C[C@H](C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC000587337808 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587337810 IJ Annotated Bother C[C@H](C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC000587337811 IJ Annotated Anodyne C[C@H](C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)NC(=O)OC(C)(C)C ZINC000587337813 IJ Annotated Anodyne Cc1ccccc1C(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337816 IJ Annotated Anodyne C[C@@]1(c2cccc(N3CCOCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337818 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587337821 IJ Annotated Bother C[C@]1(c2cccc(N3CCOCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337826 IJ Annotated Anodyne C[C@]1(c2cccc(N3CCOCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337827 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587337830 IJ Annotated Bother C[C@@]1(c2cccc(N3CCOCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337831 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587337834 IJ Annotated Bother O=C1c2ccc(O)cc2OC2(CCN(c3ccc4c(c3)OCO4)CC2)[C@H]1c1ccc(F)cc1 ZINC000587337878 IJ Annotated Clean O=C1c2ccc(O)cc2OC2(CCN(c3ccc4c(c3)OCO4)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587337882 IJ Annotated Clean CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338001 IJ Annotated Anodyne COCCOc1cccc(F)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338004 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338008 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338012 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338015 IJ Annotated Anodyne COCCOc1cccc(F)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338059 IJ Annotated Anodyne COCCOc1cccc(F)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338063 IJ Annotated Anodyne COCCOc1cccc(F)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338067 IJ Annotated Anodyne O=C(O)CC[C@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338072 IJ Annotated Anodyne O=C(O)CC[C@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338077 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338082 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2cc(F)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338088 IJ Annotated Anodyne C[C@@]1(c2ccccc2N2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338130 IJ Annotated Anodyne C[C@]1(c2ccccc2N2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338136 IJ Annotated Anodyne C[C@@]1(c2ccccc2N2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338140 IJ Annotated Anodyne C[C@]1(c2ccccc2N2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338143 IJ Annotated Anodyne COc1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587338152 IJ Annotated Clean COc1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587338155 IJ Annotated Clean Nc1ccccc1[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338189 IJ Annotated Anodyne Nc1ccccc1[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338190 IJ Annotated Anodyne Nc1ccccc1[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338191 IJ Annotated Anodyne Nc1ccccc1[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338193 IJ Annotated Anodyne C[C@@]1(CCCOc2ccccc2C(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338208 IJ Annotated Anodyne C[C@]1(CCCOc2ccccc2C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338209 IJ Annotated Anodyne C[C@@]1(CCCOc2ccccc2C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338210 IJ Annotated Anodyne C[C@]1(CCCOc2ccccc2C(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338211 IJ Annotated Anodyne COc1ccccc1[C@]1(CNC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338287 IJ Annotated Anodyne COc1ccccc1[C@@]1(CNC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338289 IJ Annotated Anodyne COc1ccccc1[C@@]1(CNC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338290 IJ Annotated Anodyne COc1ccccc1[C@]1(CNC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338291 IJ Annotated Anodyne CN(CCC[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N=O ZINC000587338363 IJ Annotated Anodyne CN(CCC[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N=O ZINC000587338366 IJ Annotated Anodyne CN(CCC[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N=O ZINC000587338367 IJ Annotated Anodyne CN(CCC[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N=O ZINC000587338371 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338514 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338515 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338520 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338524 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2ccnc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587338643 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2ccnc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587338647 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2ccnc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587338649 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2ccnc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587338651 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(C2CCNCC2)[C@H]1c1ccc(F)cc1 ZINC000587338693 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000587338694 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(C2CCNCC2)[C@H]1c1ccc(F)cc1 ZINC000587338695 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000587338698 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2ccnc2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587338715 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2ccnc2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587338716 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cn2ccnc2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587338717 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cn2ccnc2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587338719 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338903 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338905 IJ Annotated Anodyne CCOC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)nc1C ZINC000587338908 IJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)nc1C ZINC000587338909 IJ Annotated Anodyne CCOC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)nc1C ZINC000587338910 IJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)nc1C ZINC000587338911 IJ Annotated Anodyne COC(=O)[C@H](CCC#N)[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339115 IJ Annotated Mild COC(=O)[C@H](CCC#N)[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339119 IJ Annotated Mild COC(=O)[C@H](CCC#N)[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339123 IJ Annotated Mild COC(=O)[C@H](CCC#N)[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339126 IJ Annotated Mild CCOC(=O)C[C@@]1(c2cccc(C#N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339151 IJ Annotated Mild CCOC(=O)C[C@]1(c2cccc(C#N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339157 IJ Annotated Mild CCOC(=O)C[C@]1(c2cccc(C#N)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339159 IJ Annotated Mild CCOC(=O)C[C@@]1(c2cccc(C#N)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339161 IJ Annotated Mild CCO[C@H](C)c1ccc([C@]2(CN)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339438 IJ Annotated Anodyne CCO[C@H](C)c1ccc([C@]2(CN)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339439 IJ Annotated Anodyne CCO[C@H](C)c1ccc([C@@]2(CN)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339442 IJ Annotated Anodyne CCO[C@H](C)c1ccc([C@@]2(CN)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339445 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(F)c2)(C2CCNCC2)[C@H]1c1ccc(F)cc1 ZINC000587339456 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(F)c2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000587339459 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(F)c2)(C2CCNCC2)[C@H]1c1ccc(F)cc1 ZINC000587339462 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(F)c2)(C2CCNCC2)[C@@H]1c1ccc(F)cc1 ZINC000587339465 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)c(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587339467 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)c(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587339471 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)c(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587339474 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)c(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587339478 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@H]3CC[C@H]2N(Cc2ccccc2)C3)[C@H]1c1ccc(F)cc1 ZINC000587339599 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@H]3CC[C@H]2N(Cc2ccccc2)C3)[C@H]1c1ccc(F)cc1 ZINC000587339604 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@H]3CC[C@H]2N(Cc2ccccc2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587339608 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@H]3CC[C@H]2N(Cc2ccccc2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587339614 IJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1NC(C)=O ZINC000587339719 IJ Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1NC(C)=O ZINC000587339723 IJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1NC(C)=O ZINC000587339728 IJ Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1NC(C)=O ZINC000587339732 IJ Annotated Anodyne COc1ccccc1-n1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587339873 IJ Annotated Anodyne COc1ccccc1-n1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587339874 IJ Annotated Anodyne COc1ccccc1-n1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587339875 IJ Annotated Anodyne COc1ccccc1-n1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587339876 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339979 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339983 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339985 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339988 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340008 IJ Annotated Mild CCOC(=O)C[C@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340011 IJ Annotated Mild CCOC(=O)C[C@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340015 IJ Annotated Mild CCOC(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340018 IJ Annotated Mild COc1ccc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587340296 IJ Annotated Mild COc1ccc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587340299 IJ Annotated Mild COc1ccc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587340301 IJ Annotated Mild COc1ccc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587340303 IJ Annotated Mild O=C1c2ccc(O)cc2O[C@@](Cc2ccccn2)(c2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000587340451 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccn2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000587340454 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccn2)(c2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000587340458 IJ Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340463 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccn2)(c2cccnc2)[C@@H]1c1ccc(F)cc1 ZINC000587340465 IJ Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340469 IJ Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340472 IJ Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340477 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340488 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340497 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340503 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340507 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Cl)ccc(F)c32)[C@H]1c1ccc(F)cc1 ZINC000587340664 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Cl)ccc(F)c32)[C@H]1c1ccc(F)cc1 ZINC000587340666 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Cl)ccc(F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587340669 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Cl)ccc(F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587340675 IJ Annotated Anodyne Cn1cc([C@@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587340724 IJ Annotated Anodyne Cn1cc([C@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587340727 IJ Annotated Anodyne Cn1cc([C@@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587340730 IJ Annotated Anodyne Cn1cc([C@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587340733 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(F)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587340750 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(F)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587340753 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(F)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587340756 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(F)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587340759 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ncccn2)[C@H]1c1ccc(F)cc1 ZINC000587340784 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ncccn2)[C@@H]1c1ccc(F)cc1 ZINC000587340787 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ncccn2)[C@@H]1c1ccc(F)cc1 ZINC000587340789 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ncccn2)[C@H]1c1ccc(F)cc1 ZINC000587340793 IJ Annotated Anodyne C#CCNC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340794 IJ Annotated Mild C#CCNC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340797 IJ Annotated Mild C#CCNC(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587340799 IJ Annotated Mild C#CCNC(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587340802 IJ Annotated Mild CN1C(=O)CCc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587340891 IJ Annotated Anodyne CN1C(=O)CCc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587340895 IJ Annotated Anodyne CN1C(=O)CCc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587340897 IJ Annotated Anodyne CN1C(=O)CCc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587340900 IJ Annotated Anodyne CN(C)c1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341113 IJ Annotated Anodyne CN(C)c1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341116 IJ Annotated Anodyne CN(C)c1ccc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341120 IJ Annotated Anodyne CN(C)c1ccc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341122 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1Cc1ccccc1 ZINC000587341124 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1Cc1ccccc1 ZINC000587341130 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1Cc1ccccc1 ZINC000587341134 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1Cc1ccccc1 ZINC000587341138 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587341283 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587341284 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587341285 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587341286 IJ Annotated Anodyne COc1cc(OC)cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587341297 IJ Annotated Mild COc1cc(OC)cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587341299 IJ Annotated Mild COc1cc(OC)cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587341301 IJ Annotated Mild COc1cc(OC)cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587341303 IJ Annotated Mild CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341332 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000587341333 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341335 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000587341337 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000587341338 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000587341339 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000587341341 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000587341343 IJ Annotated Anodyne Nc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1N ZINC000587341406 IJ Annotated Anodyne Nc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1N ZINC000587341409 IJ Annotated Anodyne Cc1ccc(CNC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341410 IJ Annotated Anodyne Nc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1N ZINC000587341411 IJ Annotated Anodyne Nc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1N ZINC000587341413 IJ Annotated Anodyne Cc1ccc(CNC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341414 IJ Annotated Anodyne Cc1ccc(CNC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587341416 IJ Annotated Anodyne Cc1ccc(CNC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587341418 IJ Annotated Anodyne C[C@]1(CC(=O)NCCCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341438 IJ Annotated Anodyne C[C@@]1(CC(=O)NCCCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341451 IJ Annotated Anodyne C[C@@]1(CC(=O)NCCCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341457 IJ Annotated Anodyne C[C@]1(CC(=O)NCCCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341463 IJ Annotated Anodyne C[C@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341688 IJ Annotated Bother C[C@@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341690 IJ Annotated Bother C[C@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341691 IJ Annotated Bother C[C@@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341693 IJ Annotated Bother CN(C)/C=C/[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341695 IJ Annotated Bother CN(C)/C=C/[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341697 IJ Annotated Bother CN(C)/C=C\[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341699 IJ Annotated Bother CN(C)/C=C\[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341702 IJ Annotated Bother COc1cccc([C@]2([C@@H](C)CN(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587341887 IJ Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587341888 IJ Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587341889 IJ Annotated Anodyne COc1cccc([C@@]2([C@@H](C)CN(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587341890 IJ Annotated Anodyne COc1cccc([C@@]2([C@@H](C)CN(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587341891 IJ Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587341892 IJ Annotated Anodyne CN(CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000587341905 IJ Annotated Anodyne CN(CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000587341906 IJ Annotated Anodyne CN(CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000587341907 IJ Annotated Anodyne CN(CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000587341908 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587342069 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587342071 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587342073 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587342075 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587342076 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587342078 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587342080 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H]([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587342081 IJ Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342153 IJ Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342154 IJ Annotated Anodyne CCOC(=O)CCC[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342155 IJ Annotated Anodyne CCOC(=O)CCC[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342156 IJ Annotated Anodyne Cc1ccncc1[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342222 IJ Annotated Anodyne Cc1ccncc1[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342224 IJ Annotated Anodyne Cc1ccncc1[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342226 IJ Annotated Anodyne Cc1ccncc1[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342228 IJ Annotated Anodyne C[C@]1(c2ccc(N3CCC(O)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342274 IJ Annotated Anodyne C[C@@]1(c2ccc(N3CCC(O)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342276 IJ Annotated Anodyne C[C@@]1(c2ccc(N3CCC(O)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342279 IJ Annotated Anodyne C[C@]1(c2ccc(N3CCC(O)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342282 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccccn1 ZINC000587342336 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccccn1 ZINC000587342338 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccn1 ZINC000587342339 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccn1 ZINC000587342341 IJ Annotated Anodyne O=C(O)c1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587342387 IJ Annotated Anodyne O=C(O)c1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587342388 IJ Annotated Anodyne C[C@]1([C@H]2CN(Cc3ccccc3)CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342492 IJ Annotated Anodyne C[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342494 IJ Annotated Anodyne C[C@]1([C@H]2CN(Cc3ccccc3)CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342496 IJ Annotated Anodyne C[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342499 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587342525 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587342527 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587342528 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587342529 IJ Annotated Anodyne CC(=O)N1CCc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587342607 IJ Annotated Anodyne CC(=O)N1CCc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587342608 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nn(-c4ccccc4)nc32)[C@@H]1c1ccc(F)cc1 ZINC000587342623 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nn(-c4ccccc4)nc32)[C@H]1c1ccc(F)cc1 ZINC000587342624 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nn(-c4ccccc4)nc32)[C@H]1c1ccc(F)cc1 ZINC000587342625 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nn(-c4ccccc4)nc32)[C@@H]1c1ccc(F)cc1 ZINC000587342626 IJ Annotated Anodyne CC(=O)N1CCc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587342631 IJ Annotated Anodyne CC(=O)N1CCc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587342633 IJ Annotated Anodyne C[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342757 IJ Annotated Anodyne C[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342758 IJ Annotated Anodyne C[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342760 IJ Annotated Anodyne C[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342763 IJ Annotated Anodyne COc1cccc(-n2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn2)c1 ZINC000587342780 IJ Annotated Anodyne COc1cccc(-n2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn2)c1 ZINC000587342782 IJ Annotated Anodyne COc1cccc(-n2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn2)c1 ZINC000587342785 IJ Annotated Anodyne COc1cccc(-n2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn2)c1 ZINC000587342787 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(F)cc1 ZINC000587342844 IJ Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(F)cc1 ZINC000587342848 IJ Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(F)cc1 ZINC000587342849 IJ Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(F)cc1 ZINC000587342850 IJ Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587342969 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC(=O)N(Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587342970 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC(=O)N(Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587342971 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587342972 IJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cnccc21 ZINC000587343212 IJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cnccc21 ZINC000587343217 IJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cnccc21 ZINC000587343219 IJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cnccc21 ZINC000587343222 IJ Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587343262 IJ Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587343264 IJ Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587343267 IJ Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587343270 IJ Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343340 IJ Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343341 IJ Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343342 IJ Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343343 IJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3cc[nH]c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343503 IJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3cc[nH]c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343505 IJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3cc[nH]c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343506 IJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3cc[nH]c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343508 IJ Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587343710 IJ Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587343714 IJ Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587343716 IJ Annotated Anodyne CCOC(=O)c1c(C)[nH]c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587343717 IJ Annotated Anodyne CC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2C1 ZINC000587343718 IJ Annotated Anodyne CC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2C1 ZINC000587343724 IJ Annotated Anodyne CC(=O)N1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2C1 ZINC000587343727 IJ Annotated Anodyne CC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2C1 ZINC000587343731 IJ Annotated Anodyne N#CC[C@@]1(c2ccc(-n3cccn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343805 IJ Annotated Mild N#CC[C@]1(c2ccc(-n3cccn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343809 IJ Annotated Mild N#CC[C@]1(c2ccc(-n3cccn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343810 IJ Annotated Mild N#CC[C@@]1(c2ccc(-n3cccn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343813 IJ Annotated Mild C[C@@]1(c2cn(CCN)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343823 IJ Annotated Anodyne C[C@]1(c2cn(CCN)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343825 IJ Annotated Anodyne C[C@]1(c2cn(CCN)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343827 IJ Annotated Anodyne C[C@@]1(c2cn(CCN)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343828 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1-c1ccccc1 ZINC000587343857 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1-c1ccccc1 ZINC000587343859 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1-c1ccccc1 ZINC000587343864 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1-c1ccccc1 ZINC000587343866 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2cnn3-c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587343873 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2cnn3-c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587343874 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2cnn3-c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587343875 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2cnn3-c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587343879 IJ Annotated Anodyne C[C@@H]1CN(Cc2ccccn2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343901 IJ Annotated Anodyne C[C@@H]1CN(Cc2ccccn2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343902 IJ Annotated Anodyne C[C@@H]1CN(Cc2ccccn2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343903 IJ Annotated Anodyne C[C@@H]1CN(Cc2ccccn2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343904 IJ Annotated Anodyne C[C@@]1(c2ccc(N3CCCC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343921 IJ Annotated Anodyne C[C@]1(c2ccc(N3CCCC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343922 IJ Annotated Anodyne C[C@]1(c2ccc(N3CCCC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343923 IJ Annotated Anodyne C[C@@]1(c2ccc(N3CCCC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343924 IJ Annotated Anodyne CN(C)c1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587343937 IJ Annotated Anodyne CN(C)c1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587343940 IJ Annotated Anodyne CN1CCN(c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587343943 IJ Annotated Anodyne CN1CCN(c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587343945 IJ Annotated Anodyne CN1CCN(c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587343946 IJ Annotated Anodyne CN1CCN(c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587343948 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCn3c(O)nc4cccc2c43)[C@@H]1c1ccc(F)cc1 ZINC000587344071 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCn3c(O)nc4cccc2c43)[C@H]1c1ccc(F)cc1 ZINC000587344074 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCn3c(O)nc4cccc2c43)[C@@H]1c1ccc(F)cc1 ZINC000587344076 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCn3c(O)nc4cccc2c43)[C@H]1c1ccc(F)cc1 ZINC000587344079 IJ Annotated Anodyne CC[C@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344084 IJ Annotated Anodyne CC[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344086 IJ Annotated Anodyne CC[C@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344087 IJ Annotated Anodyne CC[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344088 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344119 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344124 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344126 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344129 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)([C@@H]2CCCNC2)[C@@H]1c1ccc(F)cc1 ZINC000587344154 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)([C@H]2CCCNC2)[C@@H]1c1ccc(F)cc1 ZINC000587344156 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)([C@H]2CCCNC2)[C@H]1c1ccc(F)cc1 ZINC000587344158 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)([C@@H]2CCCNC2)[C@H]1c1ccc(F)cc1 ZINC000587344160 IJ Annotated Anodyne CC(C)COC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344240 IJ Annotated Anodyne CC(C)COC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344241 IJ Annotated Anodyne CC[C@@H]1CCCCN1C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344293 IJ Annotated Anodyne CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344294 IJ Annotated Anodyne CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344295 IJ Annotated Anodyne CC[C@@H]1CCCCN1C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344296 IJ Annotated Anodyne C[C@@]1(c2cccc(N3CCOC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344309 IJ Annotated Anodyne C[C@]1(c2cccc(N3CCOC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344310 IJ Annotated Anodyne C[C@@]1(c2cccc(N3CCOC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344311 IJ Annotated Anodyne C[C@]1(c2cccc(N3CCOC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344312 IJ Annotated Anodyne C[C@@]1(c2ccc(O)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344403 IJ Annotated Anodyne C[C@]1(c2ccc(O)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344406 IJ Annotated Anodyne C[C@@]1(c2ccc(O)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344410 IJ Annotated Anodyne C[C@]1(c2ccc(O)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344412 IJ Annotated Anodyne CC(=O)c1c(C)[nH]c([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587344433 IJ Annotated Mild CC(=O)c1c(C)[nH]c([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587344437 IJ Annotated Mild CC(=O)c1c(C)[nH]c([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587344440 IJ Annotated Mild CC(=O)c1c(C)[nH]c([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587344444 IJ Annotated Mild COc1ccc2c(c1[N+](=O)[O-])[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344653 IJ Annotated Bother COc1ccc2c(c1[N+](=O)[O-])[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344654 IJ Annotated Bother COc1ccc2c(c1[N+](=O)[O-])[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344655 IJ Annotated Bother COc1ccc2c(c1[N+](=O)[O-])[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344656 IJ Annotated Bother Cc1[nH]c2ccccc2c1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344885 IJ Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344888 IJ Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344890 IJ Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344893 IJ Annotated Anodyne O=C(O)c1ccc(OC[C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345108 IJ Annotated Anodyne O=C(O)c1ccc(OC[C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345110 IJ Annotated Anodyne O=C(O)c1ccc(OC[C@@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345112 IJ Annotated Anodyne O=C(O)c1ccc(OC[C@]2(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345114 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345159 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345163 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345165 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345167 IJ Annotated Anodyne Cn1ccnc1C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345354 IJ Annotated Anodyne Cn1ccnc1C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345360 IJ Annotated Anodyne Cn1ccnc1C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345364 IJ Annotated Anodyne Cn1ccnc1C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345368 IJ Annotated Anodyne N#Cc1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587345423 IJ Annotated Mild N#Cc1ccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587345428 IJ Annotated Mild C[C@@]1(c2cc(N3CCCC3)ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345978 IJ Annotated Anodyne C[C@]1(c2cc(N3CCCC3)ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345982 IJ Annotated Anodyne C[C@]1(c2cc(N3CCCC3)ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345985 IJ Annotated Anodyne C[C@@]1(c2cc(N3CCCC3)ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345988 IJ Annotated Anodyne COC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346362 IJ Annotated Anodyne COC(=O)[C@]1(c2c(C)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346363 IJ Annotated Anodyne COC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346364 IJ Annotated Anodyne COC(=O)[C@]1(c2c(C)[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346365 IJ Annotated Anodyne CC(C)(C)CC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346488 IJ Annotated Anodyne CC(C)(C)CC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346492 IJ Annotated Anodyne CCOC(=O)Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346528 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCN(C(=O)c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587346529 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCN(C(=O)c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587346534 IJ Annotated Anodyne CCOC(=O)Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346535 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCN(C(=O)c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000587346536 IJ Annotated Anodyne CCOC(=O)Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346537 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCN(C(=O)c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587346540 IJ Annotated Anodyne CCOC(=O)Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346541 IJ Annotated Anodyne COc1cccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 ZINC000587346602 IJ Annotated Anodyne COc1cccc(N2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 ZINC000587346606 IJ Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346690 IJ Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346692 IJ Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346694 IJ Annotated Anodyne Cc1nc(N2CCCCC2)ncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346696 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346698 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346699 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346702 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346703 IJ Annotated Anodyne C[C@@]1(c2c[nH]c3cc(C(=O)O)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347188 IJ Annotated Anodyne C[C@]1(c2c[nH]c3cc(C(=O)O)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347191 IJ Annotated Anodyne C[C@@]1(c2c[nH]c3cc(C(=O)O)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347194 IJ Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347195 IJ Annotated Anodyne C[C@]1(c2c[nH]c3cc(C(=O)O)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347196 IJ Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347197 IJ Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347199 IJ Annotated Anodyne COc1nc(N2CCCC2)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347203 IJ Annotated Anodyne CCOC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587347251 IJ Annotated Anodyne CCOC(=O)c1[nH]c(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587347252 IJ Annotated Anodyne CCOC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587347254 IJ Annotated Anodyne CCOC(=O)c1[nH]c(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587347256 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc4ccccc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587347618 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc4ccccc4c32)[C@H]1c1ccc(F)cc1 ZINC000587347619 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc4ccccc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587347620 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc4ccccc4c32)[C@H]1c1ccc(F)cc1 ZINC000587347621 IJ Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347623 IJ Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347625 IJ Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347627 IJ Annotated Anodyne CCOC(=O)[C@H](c1ccccc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347628 IJ Annotated Anodyne C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347982 IJ Annotated Anodyne C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347984 IJ Annotated Anodyne COC(=O)c1oc2c(c1C)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347993 IJ Annotated Anodyne COC(=O)c1oc2c(c1C)[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347996 IJ Annotated Anodyne COC(=O)c1oc2c(c1C)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347998 IJ Annotated Anodyne COC(=O)c1oc2c(c1C)[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348005 IJ Annotated Anodyne C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348305 IJ Annotated Anodyne C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348306 IJ Annotated Anodyne CCOc1ccc(N2CC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587348342 IJ Annotated Clean CCOc1ccc(N2CC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587348344 IJ Annotated Clean CCOc1ccc(N2CC[C@]3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587348346 IJ Annotated Clean CCOc1ccc(N2CC[C@@]3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587348353 IJ Annotated Clean N#Cc1ccc(CN2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587348384 IJ Annotated Mild N#Cc1ccc(CN2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587348389 IJ Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CCCN(C(=O)c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587348456 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCN(C(=O)c3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587348457 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCN(C(=O)c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587348458 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCN(C(=O)c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587348459 IJ Annotated Anodyne C[C@@]1(c2cccc(N3CCCC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348466 IJ Annotated Anodyne C[C@]1(c2cccc(N3CCCC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348467 IJ Annotated Anodyne C[C@]1(c2cccc(N3CCCC3=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348468 IJ Annotated Anodyne C[C@@]1(c2cccc(N3CCCC3=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348469 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cc3ccccc3o2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587348509 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cc3ccccc3o2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587348510 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cc3ccccc3o2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587348511 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cc3ccccc3o2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587348512 IJ Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587348550 IJ Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587348557 IJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587348561 IJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587348563 IJ Annotated Anodyne CC1(C)Oc2ccc(C(=O)O)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348630 IJ Annotated Anodyne CC1(C)Oc2ccc(C(=O)O)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348639 IJ Annotated Anodyne CC1(C)Oc2ccc(C(=O)O)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348644 IJ Annotated Anodyne CC1(C)Oc2ccc(C(=O)O)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348648 IJ Annotated Anodyne O=C(OCc1ccccc1)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348775 IJ Annotated Anodyne O=C(OCc1ccccc1)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348784 IJ Annotated Anodyne CCOC(=O)[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348817 IJ Annotated Anodyne CCOC(=O)[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348821 IJ Annotated Anodyne CCOC(=O)[C@@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348824 IJ Annotated Anodyne CCOC(=O)[C@]1(CCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348827 IJ Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348913 IJ Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348918 IJ Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348923 IJ Annotated Anodyne COC(=O)[C@@H]1CCCc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348928 IJ Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(Oc4cc(O)ccc4C(=O)[C@H]1c1ccc(F)cc1)[C@H](C3)C2 ZINC000587348982 IJ Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(Oc4cc(O)ccc4C(=O)[C@H]1c1ccc(F)cc1)[C@H](C3)C2 ZINC000587348988 IJ Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)[C@H](C3)C2 ZINC000587348992 IJ Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)[C@H](C3)C2 ZINC000587348995 IJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccncc21 ZINC000587349083 IJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccncc21 ZINC000587349086 IJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccncc21 ZINC000587349088 IJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccncc21 ZINC000587349090 IJ Annotated Anodyne COc1cccc(CN2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 ZINC000587349179 IJ Annotated Anodyne COc1cccc(CN2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 ZINC000587349181 IJ Annotated Anodyne C[C@@]1(c2ccc(N3CCOC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349230 IJ Annotated Anodyne C[C@]1(c2ccc(N3CCOC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349235 IJ Annotated Anodyne C[C@@]1(c2ccc(N3CCOC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349240 IJ Annotated Anodyne C[C@]1(c2ccc(N3CCOC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349244 IJ Annotated Anodyne CCOC(=O)Cc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349359 IJ Annotated Anodyne CCOC(=O)Cc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349361 IJ Annotated Anodyne CCOC(=O)Cc1ccccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349367 IJ Annotated Anodyne CCOC(=O)Cc1ccccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349371 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349486 IJ Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349491 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349496 IJ Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349503 IJ Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349524 IJ Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349530 IJ Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349534 IJ Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349539 IJ Annotated Anodyne C[C@]1([C@@H](C#N)c2nc3ccccc3[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349617 IJ Annotated Mild C[C@]1([C@@H](C#N)c2nc3ccccc3[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349643 IJ Annotated Mild C[C@]1([C@H](C#N)c2nc3ccccc3[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349652 IJ Annotated Mild C[C@]1([C@H](C#N)c2nc3ccccc3[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349659 IJ Annotated Mild C[C@H](Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587349806 IJ Annotated Anodyne C[C@H](Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587349825 IJ Annotated Anodyne C[C@H](Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587349827 IJ Annotated Anodyne C[C@H](Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587349830 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349831 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(C)cc(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349835 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)cc(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349874 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(C)cc(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349876 IJ Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1Oc1ccccc1 ZINC000587350288 IJ Annotated Anodyne C[C@@]1(Cc2nc(-c3ccccc3)no2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350289 IJ Annotated Anodyne C[C@]1(Cc2nc(-c3ccccc3)no2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350298 IJ Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1Oc1ccccc1 ZINC000587350300 IJ Annotated Anodyne C[C@@]1(Cc2nc(-c3ccccc3)no2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350304 IJ Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1Oc1ccccc1 ZINC000587350306 IJ Annotated Anodyne C[C@]1(Cc2nc(-c3ccccc3)no2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350307 IJ Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]1Oc1ccccc1 ZINC000587350312 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350666 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350668 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350670 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350672 IJ Annotated Anodyne O=C(O)c1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587350831 IJ Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587350839 IJ Annotated Anodyne O=C(O)c1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587350845 IJ Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587350850 IJ Annotated Anodyne COc1cc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587351072 IJ Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587351074 IJ Annotated Anodyne COc1cc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587351078 IJ Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587351082 IJ Annotated Anodyne Cc1[nH]c(C(=O)CC#N)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351182 IJ Annotated Mild Cc1[nH]c(C(=O)CC#N)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351183 IJ Annotated Mild Cc1[nH]c(C(=O)CC#N)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351184 IJ Annotated Mild Cc1[nH]c(C(=O)CC#N)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351185 IJ Annotated Mild O=C1c2ccc(O)cc2O[C@@](Cc2ccncn2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587351224 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccncn2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587351225 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccncn2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587351226 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccncn2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587351227 IJ Annotated Anodyne COC(=O)[C@@H]1CCc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351297 IJ Annotated Anodyne COC(=O)[C@@H]1CCc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351299 IJ Annotated Anodyne COC(=O)[C@@H]1CCc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351302 IJ Annotated Anodyne COC(=O)[C@@H]1CCc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351304 IJ Annotated Anodyne C[C@H](Oc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1)C(=O)O ZINC000587351397 IJ Annotated Anodyne C[C@H](Oc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1)C(=O)O ZINC000587351398 IJ Annotated Anodyne C[C@H](Oc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1)C(=O)O ZINC000587351399 IJ Annotated Anodyne C[C@H](Oc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1)C(=O)O ZINC000587351401 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 ZINC000587351705 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 ZINC000587351707 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc3c(c2)CCCC3)[C@H]1c1ccc(F)cc1 ZINC000587351709 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc3c(c2)CCCC3)[C@@H]1c1ccc(F)cc1 ZINC000587351713 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)ccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351768 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(C)ccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351769 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(C)ccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351770 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(C)ccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351771 IJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC(C)=O ZINC000587351824 IJ Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC(C)=O ZINC000587351827 IJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC(C)=O ZINC000587351829 IJ Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC(C)=O ZINC000587351838 IJ Annotated Anodyne COC(=O)C[C@]1([C@@H](C)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352039 IJ Annotated Anodyne COC(=O)C[C@]1([C@H](C)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352043 IJ Annotated Anodyne COC(=O)C[C@]1([C@H](C)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352049 IJ Annotated Anodyne COC(=O)C[C@]1([C@@H](C)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352052 IJ Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352366 IJ Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352368 IJ Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352370 IJ Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352372 IJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352586 IJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587352588 IJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352591 IJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587352594 IJ Annotated Anodyne CC(=O)OC12CC3C[C@@H](C1)C1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](C3)C2 ZINC000587352597 IJ Annotated Anodyne CC(=O)OC12CC3C[C@@H](C1)C1(Oc4cc(O)ccc4C(=O)[C@H]1c1ccc(F)cc1)[C@@H](C3)C2 ZINC000587352600 IJ Annotated Anodyne CCOC(=O)[C@@H]1Cc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352776 IJ Annotated Anodyne CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352777 IJ Annotated Anodyne CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352778 IJ Annotated Anodyne CCOC(=O)[C@@H]1Cc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352779 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC3(CCNCC3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587352802 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC3(CCNCC3)Oc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587352803 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC3(CCNCC3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587352804 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC3(CCNCC3)Oc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587352805 IJ Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587352936 IJ Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587352942 IJ Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587352943 IJ Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587352945 IJ Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC(C)=O ZINC000587353039 IJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC(C)=O ZINC000587353040 IJ Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC(C)=O ZINC000587353041 IJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC(C)=O ZINC000587353042 IJ Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353953 IJ Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353956 IJ Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353961 IJ Annotated Anodyne COc1ccc2c(c1)[C@H](CC(=O)O)C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353964 IJ Annotated Anodyne COc1cc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587354622 IJ Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587354624 IJ Annotated Anodyne COc1cc(OC)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587354726 IJ Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587354727 IJ Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354800 IJ Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354802 IJ Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354806 IJ Annotated Anodyne COC(=O)[C@]1(C)CCc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354810 IJ Annotated Anodyne CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354964 IJ Annotated Anodyne CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354967 IJ Annotated Anodyne CC[C@]1(c2ccc(OC[C@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354971 IJ Annotated Anodyne CC[C@]1(c2ccc(OC[C@@H]3CO3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354974 IJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355395 IJ Annotated Anodyne COC(=O)[C@H](C)[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355398 IJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355399 IJ Annotated Anodyne COC(=O)[C@H](C)[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355400 IJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587355573 IJ Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587355574 IJ Annotated Anodyne COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587355576 IJ Annotated Anodyne COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587355577 IJ Annotated Anodyne CCc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355580 IJ Annotated Anodyne CCc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355584 IJ Annotated Anodyne CCc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355589 IJ Annotated Anodyne CCc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355592 IJ Annotated Anodyne O=C(O)/C=C/C1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356429 IJ Annotated Anodyne O=C(O)/C=C\C1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356434 IJ Annotated Anodyne O=C(O)/C=C/C1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356437 IJ Annotated Anodyne O=C(O)/C=C\C1=COc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356438 IJ Annotated Anodyne CC1(C)COC2(CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)OC1 ZINC000587356626 IJ Annotated Anodyne CC1(C)COC2(CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)OC1 ZINC000587356627 IJ Annotated Anodyne Cc1cc(C)c2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356640 IJ Annotated Anodyne Cc1cc(C)c2c(c1)[C@@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356647 IJ Annotated Anodyne Cc1cc(C)c2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356650 IJ Annotated Anodyne Cc1cc(C)c2c(c1)[C@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356651 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCCC2OCCO2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587358084 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCCC2OCCO2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587358088 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCCC2OCCO2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587358092 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCCC2OCCO2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587358096 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOC[C@@H]2OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587358257 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOC[C@@H]2OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587358259 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOC[C@H]2OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587358261 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOC[C@H]2OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587358265 IJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358969 IJ Annotated Unstable C[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358987 IJ Annotated Unstable C[C@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358989 IJ Annotated Unstable C[C@@]1(c2ccc(S(=O)(=O)Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358992 IJ Annotated Unstable CCS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587359778 IJ Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587359780 IJ Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587359781 IJ Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587359782 IJ Annotated Anodyne COc1cc(OC)c2c(c1)OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359893 IJ Annotated Anodyne COc1cc(OC)c2c(c1)OCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359895 IJ Annotated Anodyne COc1cc(OC)c2c(c1)OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359897 IJ Annotated Anodyne COc1cc(OC)c2c(c1)OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359899 IJ Annotated Anodyne C[C@H](Oc1ccc2c(c1)OCO2)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359908 IJ Annotated Anodyne C[C@H](Oc1ccc2c(c1)OCO2)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359909 IJ Annotated Anodyne C[C@H](Oc1ccc2c(c1)OCO2)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359911 IJ Annotated Anodyne C[C@H](Oc1ccc2c(c1)OCO2)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359912 IJ Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 ZINC000587360678 IJ Annotated Anodyne CCOC(=O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 ZINC000587360683 IJ Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 ZINC000587360686 IJ Annotated Anodyne CCOC(=O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 ZINC000587360691 IJ Annotated Anodyne CC(C)(C)OC(=O)[C@@]1(C2=COCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361487 IJ Annotated Anodyne CC(C)(C)OC(=O)[C@@]1(C2=COCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361488 IJ Annotated Anodyne CC(C)(C)OC(=O)[C@]1(C2=COCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361492 IJ Annotated Anodyne CC(C)(C)OC(=O)[C@]1(C2=COCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361493 IJ Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361643 IJ Annotated Unstable C[C@@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361644 IJ Annotated Unstable C[C@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361645 IJ Annotated Unstable C[C@@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361646 IJ Annotated Unstable CCOC(=O)Cc1c(CCC(=O)O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361796 IJ Annotated Anodyne COC(=O)[C@@H]1c2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)CC[C@H]1C(=O)OC ZINC000587362265 IJ Annotated Anodyne CCOC(=O)C(Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)C(=O)OCC ZINC000587362313 IJ Annotated Anodyne C=C(C)C(=O)OCCOC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362509 IJ Annotated Mild CCOC(=O)[C@](C)(OC(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362806 IJ Annotated Anodyne CCOC(=O)[C@@](C)(OC(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362807 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cnc(O)c(C(N)=O)c2CC3)c1 ZINC000587363077 IJ Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-[n+]4cc(=O)o[nH]4)cc3)nc3c2oc2ccccc23)c1 ZINC000587363182 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C(N)=O)c(O)nc2CC3)c1 ZINC000587363579 IJ Annotated Anodyne CCOC(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC(=O)OCC ZINC000587363725 IJ Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363809 IJ Annotated Anodyne COC(=O)CC[C@@H](C(=O)OC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587363811 IJ Annotated Anodyne COc1cccc(-c2cc(-c3cc(C(N)=O)c(O)nc3C)nc3c2oc2ccccc23)c1 ZINC000587364031 IJ Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587364105 IJ Annotated Anodyne COC(=O)C1(c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)CC(OC)(OC)C1 ZINC000587364816 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)[C@H](C(=O)O)[C@H]3C(=O)O)c1 ZINC000587365899 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)[C@H](C(=O)O)[C@@H]3C(=O)O)c1 ZINC000587365903 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)[C@@H](C(=O)O)[C@@H]3C(=O)O)c1 ZINC000587365905 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)[C@@H](C(=O)O)[C@H]3C(=O)O)c1 ZINC000587365909 IJ Annotated Anodyne COc1cccc(-c2cc(C3C(=O)CC(C)(C(=O)O)CC3=O)nc3c2oc2ccccc23)c1 ZINC000587366317 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C(=O)O)[C@@H](C(=O)O)[C@H]3C)c1 ZINC000587366726 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C(=O)O)[C@H](C(=O)O)[C@H]3C)c1 ZINC000587366729 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C(=O)O)[C@@H](C(=O)O)[C@@H]3C)c1 ZINC000587366730 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C(=O)O)[C@H](C(=O)O)[C@@H]3C)c1 ZINC000587366733 IJ Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1Cc1c(C)nc2ccc(Br)cc2c1Cl ZINC000587367512 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2C[C@H]3[C@@H](C(=O)O)[C@@H]2C(=O)O)c1 ZINC000587367691 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2C[C@H]3[C@@H](C(=O)O)[C@H]2C(=O)O)c1 ZINC000587367692 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2C[C@H]3[C@H](C(=O)O)[C@H]2C(=O)O)c1 ZINC000587367693 IJ Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2C[C@H]3[C@H](C(=O)O)[C@@H]2C(=O)O)c1 ZINC000587367694 IJ Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Oc4ccc(F)cc4Br)cc3)nc2n1 ZINC000587368019 IJ Annotated Anodyne COc1ccc(-c2c(-c3ccc4c(O)nc(O)nc4n3)c(O)nc3ccc(Cl)cc23)cc1 ZINC000587368166 IJ Annotated Anodyne Cc1ccc(COc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2Cl)cc1[N+](=O)[O-] ZINC000587368172 IJ Annotated Bother O=C(O)[C@@H](c1cccc(Cl)c1)c1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1 ZINC000587368191 IJ Annotated Anodyne O=C(O)[C@H](c1cccc(Cl)c1)c1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1 ZINC000587368192 IJ Annotated Anodyne Cc1ccc(-c2c(-c3ccc4c(O)nc(O)nc4n3)c(O)nc3ccc(Cl)cc23)cc1 ZINC000587368335 IJ Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)nc2n1 ZINC000587368955 IJ Annotated Anodyne CCSc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369015 IJ Annotated Anodyne CCSc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369020 IJ Annotated Anodyne CCSc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369022 IJ Annotated Anodyne CCSc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369023 IJ Annotated Anodyne Oc1nc(O)c2ccc(-c3c(O)nc4ccc(Cl)cc4c3-c3ccc(F)cc3)nc2n1 ZINC000587369415 IJ Annotated Anodyne O=C(O)CSC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369530 IJ Annotated Anodyne O=C(O)CSC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369531 IJ Annotated Anodyne O=C(O)CSC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369532 IJ Annotated Anodyne O=C(O)CSC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369533 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C(=O)O)(c3ccc(Br)cc3)CC1)O2 ZINC000587370220 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cccc(Br)c21 ZINC000587370244 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cccc(Br)c21 ZINC000587370245 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Br)cc3)nc3ncccn13)O2 ZINC000587370283 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Br)cc3)nc3ncccn13)O2 ZINC000587370284 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ncc(Br)cn3)cc1)O2 ZINC000587370296 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ncc(Br)cn3)cc1)O2 ZINC000587370300 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1cnn3-c1cccc(Br)c1)O2 ZINC000587370313 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1cnn3-c1cccc(Br)c1)O2 ZINC000587370315 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1Br)O2 ZINC000587370345 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1Br)O2 ZINC000587370347 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Br)c3nc(C(C)(C)C)oc13)O2 ZINC000587370588 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Br)c3nc(C(C)(C)C)oc13)O2 ZINC000587370590 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370672 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370676 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370678 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370679 IJ Annotated Anodyne Cc1csc([C@H](C#N)[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587370680 IJ Annotated Reactive Cc1csc([C@H](C#N)[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587370689 IJ Annotated Reactive Cc1csc([C@H](C#N)[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587370691 IJ Annotated Reactive Cc1csc([C@H](C#N)[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587370693 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(N3CCCCC3)cc1)O2 ZINC000587370917 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(N3CCCCC3)cc1)O2 ZINC000587370918 IJ Annotated Reactive C[C@@]1(c2c(N)sc3c2CCOC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371040 IJ Annotated Anodyne C[C@]1(c2c(N)sc3c2CCOC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371045 IJ Annotated Anodyne C[C@@]1(c2c(N)sc3c2CCOC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371046 IJ Annotated Anodyne C[C@]1(c2c(N)sc3c2CCOC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371048 IJ Annotated Anodyne CC[C@@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371052 IJ Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371057 IJ Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371060 IJ Annotated Reactive CC[C@@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371062 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Br)cc(Br)c31)O2 ZINC000587371097 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Br)cc(Br)c31)O2 ZINC000587371099 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnccc1C)(c1cncc(Br)c1C)O2 ZINC000587371198 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnccc1C)(c1cncc(Br)c1C)O2 ZINC000587371201 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371221 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371228 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(C1CC1)O2 ZINC000587371248 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(C1CC1)O2 ZINC000587371260 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)O2 ZINC000587371468 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3ccc4c(c3)OCO4)c1C)O2 ZINC000587371469 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O2 ZINC000587371495 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O2 ZINC000587371499 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(Br)cc21 ZINC000587371560 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(Br)cc21 ZINC000587371561 IJ Annotated Anodyne CCCNc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371771 IJ Annotated Anodyne CCCNc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371782 IJ Annotated Anodyne CCCNc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371784 IJ Annotated Anodyne CCCNc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371786 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Br)([C@@H](C)Br)O2 ZINC000587372018 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Br)([C@H](C)Br)O2 ZINC000587372025 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Br)([C@H](C)Br)O2 ZINC000587372029 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Br)([C@@H](C)Br)O2 ZINC000587372033 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(-c3ccccc3)noc1C)O2 ZINC000587372181 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(-c3ccccc3)noc1C)O2 ZINC000587372201 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2nccs2)[C@@H]1c1ccc(F)cc1 ZINC000587372268 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2nccs2)[C@H]1c1ccc(F)cc1 ZINC000587372272 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2nccs2)[C@H]1c1ccc(F)cc1 ZINC000587372274 IJ Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2nccs2)[C@@H]1c1ccc(F)cc1 ZINC000587372276 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3c(CCl)cc(Br)cc3c1=O)O2 ZINC000587372360 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3c(CCl)cc(Br)cc3c1=O)O2 ZINC000587372363 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)[C@H](Br)C(C)C)c1)O2 ZINC000587372556 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)[C@H](Br)C(C)C)c1)O2 ZINC000587372559 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)[C@@H](Br)C(C)C)c1)O2 ZINC000587372560 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)[C@@H](Br)C(C)C)c1)O2 ZINC000587372561 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccc(Br)cc3)c1C)O2 ZINC000587372592 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccc(Br)cc3)c1C)O2 ZINC000587372596 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(Br)cccc21 ZINC000587372762 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(Br)cccc21 ZINC000587372764 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Oc3ncc(Br)cn3)c1)O2 ZINC000587372783 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Oc3ncc(Br)cn3)c1)O2 ZINC000587372785 IJ Annotated Anodyne COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372796 IJ Annotated Reactive COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372812 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(Br)ccc21 ZINC000587373181 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(Br)ccc21 ZINC000587373186 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c1)O2 ZINC000587373347 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c1)O2 ZINC000587373358 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Br)ccc2CC12CCOCC2 ZINC000587373361 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2CC12CCOCC2 ZINC000587373362 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(CO)OC=C1OCc1ccc(Cl)c(Cl)c1)O2 ZINC000587373519 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(CO)OC=C1OCc1ccc(Cl)c(Cl)c1)O2 ZINC000587373527 IJ Annotated Anodyne C[C@]1(c2cc3c(s2)SCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373672 IJ Annotated Anodyne C[C@@]1(c2cc3c(s2)SCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373673 IJ Annotated Anodyne C[C@]1(c2cc3c(s2)SCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373677 IJ Annotated Anodyne C[C@@]1(c2cc3c(s2)SCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373679 IJ Annotated Anodyne COc1ccc2cc([C@]3(CBr)CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 ZINC000587373684 IJ Annotated Reactive COc1ccc2cc([C@@]3(CBr)CC(=O)c4cc(C)cc(N)c4O3)ccc2c1 ZINC000587373686 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(-c3cccc([N+](=O)[O-])c3)c1C)O2 ZINC000587373803 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(-c3cccc([N+](=O)[O-])c3)c1C)O2 ZINC000587373806 IJ Annotated Reactive Nc1nc(C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cs1 ZINC000587373902 IJ Annotated Anodyne Nc1nc(C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cs1 ZINC000587373905 IJ Annotated Anodyne Nc1nc(C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cs1 ZINC000587373908 IJ Annotated Anodyne Nc1nc(C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cs1 ZINC000587373910 IJ Annotated Anodyne COCCc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587373941 IJ Annotated Anodyne COCCc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587373945 IJ Annotated Anodyne COCCc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587373946 IJ Annotated Anodyne COCCc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587373949 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374042 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374043 IJ Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587374136 IJ Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl ZINC000587374143 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Br)[nH]c(-c3ccncc3)c1C)O2 ZINC000587374483 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Br)[nH]c(-c3ccncc3)c1C)O2 ZINC000587374488 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(NC(=O)OC(C)(C)C)ncc1Br)O2 ZINC000587374562 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(NC(=O)OC(C)(C)C)ncc1Br)O2 ZINC000587374564 IJ Annotated Anodyne COc1cc(Cl)c([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587374694 IJ Annotated Reactive COc1cc(Cl)c([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587374697 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C)CC(=O)O)(c1ccc(Br)cc1)O2 ZINC000587374902 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C)CC(=O)O)(c1ccc(Br)cc1)O2 ZINC000587374904 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C)CC(=O)O)(c1ccc(Br)cc1)O2 ZINC000587374905 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C)CC(=O)O)(c1ccc(Br)cc1)O2 ZINC000587374907 IJ Annotated Anodyne COc1cc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(C)n(C)c2cc1Br ZINC000587374926 IJ Annotated Clean COc1cc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(C)n(C)c2cc1Br ZINC000587374928 IJ Annotated Clean O=C(O)Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587375219 IJ Annotated Reactive O=C(O)Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587375224 IJ Annotated Reactive O=C(O)Cc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587375225 IJ Annotated Reactive O=C(O)Cc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587375228 IJ Annotated Reactive CC(=O)NCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587375246 IJ Annotated Anodyne CC(=O)NCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587375250 IJ Annotated Anodyne CC(=O)NCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587375252 IJ Annotated Anodyne CC(=O)NCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587375254 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C(=O)O)n(C)c1)(c1ccc(Cl)cc1Cl)O2 ZINC000587375263 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C(=O)O)n(C)c1)(c1ccc(Cl)cc1Cl)O2 ZINC000587375265 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375687 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587375688 IJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3cccs3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587375762 IJ Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3cccs3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587375779 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2N2CCSCC2)[C@@H]1c1ccc(F)cc1 ZINC000587375901 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2N2CCSCC2)[C@H]1c1ccc(F)cc1 ZINC000587375903 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2N2CCSCC2)[C@H]1c1ccc(F)cc1 ZINC000587375904 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCC(=O)O)cc1)(c1ccccc1Cl)O2 ZINC000587375905 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCC(=O)O)cc1)(c1ccccc1Cl)O2 ZINC000587375906 IJ Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2N2CCSCC2)[C@@H]1c1ccc(F)cc1 ZINC000587375909 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@@H](C)Br)O2 ZINC000587375942 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)([C@H](C)Br)O2 ZINC000587375944 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@H](C)Br)O2 ZINC000587375946 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)([C@@H](C)Br)O2 ZINC000587375948 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)cc1)O2 ZINC000587375980 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)cc1)O2 ZINC000587375983 IJ Annotated Reactive COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C)c(Cl)c1C ZINC000587376041 IJ Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C)c(Cl)c1C ZINC000587376048 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(CBr)ccc21 ZINC000587376491 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(CBr)ccc21 ZINC000587376496 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cnn1Cc1ccc(Cl)cc1)O2 ZINC000587376551 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cnn1Cc1ccc(Cl)cc1)O2 ZINC000587376554 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C=O)n(C)c1)(c1ccc(Cl)cc1Cl)O2 ZINC000587376608 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C=O)n(C)c1)(c1ccc(Cl)cc1Cl)O2 ZINC000587376620 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(Br)c1)O2 ZINC000587376751 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(Br)c1)O2 ZINC000587376755 IJ Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376765 IJ Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376785 IJ Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376788 IJ Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376791 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(Cl)c(N)c(Cl)c1)O2 ZINC000587376975 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(Cl)c(N)c(Cl)c1)O2 ZINC000587376982 IJ Annotated Reactive CN1C(=O)CS/C1=C/[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376984 IJ Annotated Anodyne CN1C(=O)CS/C1=C/[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376988 IJ Annotated Anodyne CN1C(=O)CS/C1=C/[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376989 IJ Annotated Anodyne CN1C(=O)CS/C1=C/[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376990 IJ Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377067 IJ Annotated Anodyne CCN(CC)C(=O)c1ccc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377068 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@@H](Br)CCCCC[C@@H]1Br ZINC000587377079 IJ Annotated Reactive COC(=O)C[C@@]1(c2c(-c3ccccc3Cl)noc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377448 IJ Annotated Anodyne COC(=O)C[C@]1(c2c(-c3ccccc3Cl)noc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377452 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)c(O)c(Br)c1)O2 ZINC000587377519 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)c(O)c(Br)c1)O2 ZINC000587377529 IJ Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)CC(=O)c3cc(C)cc(N)c3O2)c[nH]1 ZINC000587377617 IJ Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)CC(=O)c3cc(C)cc(N)c3O2)c[nH]1 ZINC000587377624 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(CBr)cc21 ZINC000587377696 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(CBr)cc21 ZINC000587377700 IJ Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@@]23CC(=O)c2cc(C)cc(N)c2O3)c1 ZINC000587377701 IJ Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@]23CC(=O)c2cc(C)cc(N)c2O3)c1 ZINC000587377706 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c(C(=O)O)c1)(c1ccc(Cl)cc1Cl)O2 ZINC000587377766 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c(C(=O)O)c1)(c1ccc(Cl)cc1Cl)O2 ZINC000587377767 IJ Annotated Anodyne COc1c(Br)cc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377836 IJ Annotated Anodyne COc1c(Br)cc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377837 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(O)c(Br)c1)O2 ZINC000587378027 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(O)c(Br)c1)O2 ZINC000587378031 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(Br)c1O)O2 ZINC000587378255 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(Br)c1O)O2 ZINC000587378257 IJ Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c(Cl)c1O ZINC000587378286 IJ Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)c(Cl)c1O ZINC000587378290 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccc(OCC(=O)O)cc1)O2 ZINC000587378303 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccc(OCC(=O)O)cc1)O2 ZINC000587378306 IJ Annotated Anodyne COc1ccc([C@]2(c3c(Cl)ncnc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587378344 IJ Annotated Anodyne COc1ccc([C@@]2(c3c(Cl)ncnc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587378347 IJ Annotated Anodyne O=C(O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587378372 IJ Annotated Reactive O=C(O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587378379 IJ Annotated Reactive O=C(O)c1csc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587378380 IJ Annotated Reactive O=C(O)c1csc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587378381 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N3CCNCC3)cc1)(c1cccc(Cl)c1)O2 ZINC000587378384 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N3CCNCC3)cc1)(c1cccc(Cl)c1)O2 ZINC000587378392 IJ Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378514 IJ Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378515 IJ Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378516 IJ Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378517 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)cc(Br)c1)O2 ZINC000587378570 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)cc(Br)c1)O2 ZINC000587378572 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(CBr)cc1)O2 ZINC000587378955 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(CBr)cc1)O2 ZINC000587378956 IJ Annotated Reactive CC(=O)Nc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587379164 IJ Annotated Anodyne CC(=O)Nc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587379172 IJ Annotated Anodyne CC(=O)Nc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587379176 IJ Annotated Anodyne CC(=O)Nc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587379180 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)cc(Br)c1N)O2 ZINC000587379210 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)cc(Br)c1N)O2 ZINC000587379216 IJ Annotated Anodyne N#Cc1cc2c(nc1S)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379410 IJ Annotated Mild N#Cc1cc2c(nc1S)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379414 IJ Annotated Mild N#Cc1cc2c(nc1S)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379418 IJ Annotated Mild N#Cc1cc2c(nc1S)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379422 IJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)(C(C)(C)C)O2 ZINC000587379428 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)(C(C)(C)C)O2 ZINC000587379433 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]([C@H](Oc1ccc(Cl)cc1)n1cncn1)(C(C)(C)C)O2 ZINC000587379436 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]([C@H](Oc1ccc(Cl)cc1)n1cncn1)(C(C)(C)C)O2 ZINC000587379440 IJ Annotated Anodyne CC(=O)OCc1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587379580 IJ Annotated Anodyne CC(=O)OCc1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587379583 IJ Annotated Anodyne CC(=O)OCc1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587379584 IJ Annotated Anodyne CC(=O)OCc1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587379586 IJ Annotated Anodyne COc1cc2nc(Cl)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c(OC)c1OC ZINC000587379914 IJ Annotated Anodyne COc1cc2nc(Cl)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c(OC)c1OC ZINC000587379915 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(F)(F)F)cc1F)O2 ZINC000587380202 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(F)(F)F)cc1F)O2 ZINC000587380203 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(=C/N(C)C)c1ncc(C(F)(F)F)cc1Cl)O2 ZINC000587380832 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(=C/N(C)C)c1ncc(C(F)(F)F)cc1Cl)O2 ZINC000587380833 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(=C\N(C)C)c1ncc(C(F)(F)F)cc1Cl)O2 ZINC000587380834 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(=C\N(C)C)c1ncc(C(F)(F)F)cc1Cl)O2 ZINC000587380835 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c1)O2 ZINC000587380898 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(=O)n(Cc3ccc(Cl)cc3)c1)O2 ZINC000587380899 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)cc1F)O2 ZINC000587380918 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)cc1F)O2 ZINC000587380920 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(Br)ccc1F)O2 ZINC000587381081 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(Br)ccc1F)O2 ZINC000587381083 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)([C@H](C)Oc1cccc(C(F)(F)F)c1)O2 ZINC000587381158 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)([C@@H](C)Oc1cccc(C(F)(F)F)c1)O2 ZINC000587381161 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)([C@@H](C)Oc1cccc(C(F)(F)F)c1)O2 ZINC000587381165 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)([C@H](C)Oc1cccc(C(F)(F)F)c1)O2 ZINC000587381167 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(OC(F)(F)F)cc1)O2 ZINC000587381266 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(OC(F)(F)F)cc1)O2 ZINC000587381267 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1OC(F)(F)F)O2 ZINC000587381275 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1OC(F)(F)F)O2 ZINC000587381276 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(F)c(Br)c1)O2 ZINC000587381312 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(F)c(Br)c1)O2 ZINC000587381313 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cc(Br)cc1Br)O2 ZINC000587381347 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cc(Br)cc1Br)O2 ZINC000587381348 IJ Annotated Anodyne COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1C(F)(F)F ZINC000587381421 IJ Annotated Reactive COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1C(F)(F)F ZINC000587381422 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(F)c(C(F)(F)F)c1)O2 ZINC000587381472 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(F)c(C(F)(F)F)c1)O2 ZINC000587381473 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(OC(F)(F)F)c1)O2 ZINC000587381500 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(OC(F)(F)F)c1)O2 ZINC000587381501 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c1)O2 ZINC000587381732 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c1)O2 ZINC000587381733 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(OC(F)(F)F)c1O)O2 ZINC000587381825 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(OC(F)(F)F)c1O)O2 ZINC000587381826 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)ccc(Br)c1F)O2 ZINC000587381850 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)ccc(Br)c1F)O2 ZINC000587381851 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)CCC(=O)N3)(c1c(F)cccc1F)O2 ZINC000587382083 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)CCC(=O)N3)(c1c(F)cccc1F)O2 ZINC000587382085 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(C(F)(F)F)ccc1F)O2 ZINC000587382089 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(C(F)(F)F)ccc1F)O2 ZINC000587382090 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c1)O2 ZINC000587382111 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c1)O2 ZINC000587382116 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(F)c(F)c(F)c(F)c1F)O2 ZINC000587382139 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(F)c(F)c(F)c(F)c1F)O2 ZINC000587382140 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c(F)cccc1C(F)(F)F)O2 ZINC000587382271 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c(F)cccc1C(F)(F)F)O2 ZINC000587382272 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)c(F)c1)O2 ZINC000587382436 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)c(F)c1)O2 ZINC000587382437 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(OC(F)(F)F)c1F)O2 ZINC000587382504 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(OC(F)(F)F)c1F)O2 ZINC000587382505 IJ Annotated Reactive COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC(F)F ZINC000587382532 IJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC(F)F ZINC000587382535 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)O2 ZINC000587382665 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)O2 ZINC000587382670 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)O2 ZINC000587382673 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)O2 ZINC000587382676 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(F)cc1C(F)(F)F)O2 ZINC000587382804 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(F)cc1C(F)(F)F)O2 ZINC000587382806 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(C)ccc1OC(F)F)O2 ZINC000587383190 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(C)ccc1OC(F)F)O2 ZINC000587383195 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(C(F)(F)F)c1F)O2 ZINC000587383305 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(C(F)(F)F)c1F)O2 ZINC000587383307 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(F)c(C(=O)O)c3)cc1[N+](=O)[O-])O2 ZINC000587383400 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(F)c(C(=O)O)c3)cc1[N+](=O)[O-])O2 ZINC000587383402 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ncc(C(F)(F)F)cc3Cl)CC1)O2 ZINC000587383538 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(F)cc(C(F)(F)F)c1)O2 ZINC000587383552 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(F)cc(C(F)(F)F)c1)O2 ZINC000587383553 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(F)(F)F)c(F)c1)O2 ZINC000587383676 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(F)(F)F)c(F)c1)O2 ZINC000587383678 IJ Annotated Reactive CCN(CC)/C(=C(/C#N)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1)c1ccc(F)cc1 ZINC000587383739 IJ Annotated Reactive CCN(CC)/C(=C(/C#N)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1)c1ccc(F)cc1 ZINC000587383746 IJ Annotated Reactive COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C(F)(F)F)cc1C ZINC000587383813 IJ Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C(F)(F)F)cc1C ZINC000587383814 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)O2 ZINC000587383970 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)O2 ZINC000587383974 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ncc(C(F)(F)F)cc3Cl)CC1)O2 ZINC000587384125 IJ Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587384566 IJ Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587384567 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cc(F)ccc1Br)O2 ZINC000587384698 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cc(F)ccc1Br)O2 ZINC000587384699 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(I)cc1)O2 ZINC000587385630 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(I)cc1)O2 ZINC000587385632 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c(F)cc(I)cc13)O2 ZINC000587385764 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c(F)cc(I)cc13)O2 ZINC000587385770 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(F)cc1Br)O2 ZINC000587385771 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(F)cc1Br)O2 ZINC000587385773 IJ Annotated Reactive COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1nc(Cl)ncc1F ZINC000587386264 IJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1nc(Cl)ncc1F ZINC000587386273 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]c3cccc(I)c13)O2 ZINC000587386578 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]c3cccc(I)c13)O2 ZINC000587386579 IJ Annotated Anodyne CC(=O)N(c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1)c1ccc(F)cc1F ZINC000587386733 IJ Annotated Anodyne CC(=O)N(c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1)c1ccc(F)cc1F ZINC000587386736 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(Br)ccc1N)(c1ccccc1F)O2 ZINC000587386741 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(Br)ccc1N)(c1ccccc1F)O2 ZINC000587386743 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnn(-c3ccccc3)c1)(c1cc(F)ccc1O)O2 ZINC000587386777 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnn(-c3ccccc3)c1)(c1cc(F)ccc1O)O2 ZINC000587386886 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(Br)c1F)O2 ZINC000587387012 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(Br)c1F)O2 ZINC000587387014 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C(=O)O)c(F)c3)cc1[N+](=O)[O-])O2 ZINC000587387149 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C(=O)O)c(F)c3)cc1[N+](=O)[O-])O2 ZINC000587387150 IJ Annotated Bother CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387404 IJ Annotated Clean CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387407 IJ Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(I)nc1Cl)O2 ZINC000587387626 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(I)nc1Cl)O2 ZINC000587387627 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)cc1I)O2 ZINC000587388044 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)cc1I)O2 ZINC000587388045 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](C)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587388337 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](C)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587388338 IJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587388422 IJ Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587388423 IJ Annotated Bother COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1[N+](=O)[O-] ZINC000587388475 IJ Annotated Bother COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1[N+](=O)[O-] ZINC000587388476 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(=O)Nc3ccccc3C)cc1)O2 ZINC000587388520 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(=O)Nc3ccccc3C)cc1)O2 ZINC000587388521 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])cc1 ZINC000587388665 IJ Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])cc1 ZINC000587388666 IJ Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587388866 IJ Annotated Bother COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587388868 IJ Annotated Bother CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587388910 IJ Annotated Bother CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587388912 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c1)O2 ZINC000587388991 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c1)O2 ZINC000587388992 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCO3)(c1oc3ccccc3c1N)O2 ZINC000587389014 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCO3)(c1oc3ccccc3c1N)O2 ZINC000587389018 IJ Annotated Anodyne COC(=O)c1cccc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])c1 ZINC000587389071 IJ Annotated Bother COC(=O)c1cccc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])c1 ZINC000587389073 IJ Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000587389091 IJ Annotated Bother COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000587389094 IJ Annotated Bother CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587389434 IJ Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 ZINC000587389438 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 ZINC000587389580 IJ Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 ZINC000587389582 IJ Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1[N+](=O)[O-] ZINC000587389593 IJ Annotated Bother COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccccc1[N+](=O)[O-] ZINC000587389594 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnn(-c3ccccc3)c1N)(c1c[nH]c3ccccc13)O2 ZINC000587390325 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnn(-c3ccccc3)c1N)(c1c[nH]c3ccccc13)O2 ZINC000587390329 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3c1c(C)nn3-c1ccc(C(=O)O)cc1)O2 ZINC000587390332 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3c1c(C)nn3-c1ccc(C(=O)O)cc1)O2 ZINC000587390336 IJ Annotated Anodyne COC(=O)c1ccccc1Oc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587390573 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCCO3)(c1oc3ccccc3c1N)O2 ZINC000587390611 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCCO3)(c1oc3ccccc3c1N)O2 ZINC000587390612 IJ Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1ccccc1 ZINC000587390651 IJ Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1ccccc1 ZINC000587390652 IJ Annotated Anodyne COC(=O)c1ccccc1Oc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] ZINC000587390823 IJ Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587390825 IJ Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587390826 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)O2 ZINC000587390830 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)O2 ZINC000587390833 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(O[C@@H](C)C(=O)O)cc3)c1C)O2 ZINC000587390884 IJ Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(O[C@H](C)C(=O)O)cc3)c1C)O2 ZINC000587390887 IJ Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(O[C@@H](C)C(=O)O)cc3)c1C)O2 ZINC000587390889 IJ Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(O[C@H](C)C(=O)O)cc3)c1C)O2 ZINC000587390890 IJ Annotated Clean CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 ZINC000587390954 IJ Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(O)cc2O1 ZINC000587390955 IJ Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587391319 IJ Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587391320 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc13)O2 ZINC000587391371 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc13)O2 ZINC000587391372 IJ Annotated Bother COC(=O)c1ccc(-n2c(C)cc([C@@]3(CC#N)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 ZINC000587391373 IJ Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@]3(CC#N)CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 ZINC000587391374 IJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1-c1ccccc1)([C@H](CCCN)C(=O)O)O2 ZINC000587391479 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1-c1ccccc1)([C@H](CCCN)C(=O)O)O2 ZINC000587391481 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1-c1ccccc1)([C@@H](CCCN)C(=O)O)O2 ZINC000587391483 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1-c1ccccc1)([C@@H](CCCN)C(=O)O)O2 ZINC000587391484 IJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587391725 IJ Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587391726 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc13)O2 ZINC000587391729 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc13)O2 ZINC000587391730 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c1)O2 ZINC000587391811 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c1)O2 ZINC000587391813 IJ Annotated Bother CCOC(=O)/C=C/c1cc([C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587391885 IJ Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587391904 IJ Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587391905 IJ Annotated Anodyne CCOC(=O)/C=C\c1cc([C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587391906 IJ Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587392227 IJ Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587392228 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(=O)Nc3ccccc3)c3ccccc13)O2 ZINC000587392345 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)Nc3ccccc3)c3ccccc13)O2 ZINC000587392349 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccc3c(c1)OCO3)O2 ZINC000587392391 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1ccc3c(c1)OCO3)O2 ZINC000587392393 IJ Annotated Anodyne COCc1cc(C)nc2oc([C@]3(c4ccccc4)CC(=O)c4cc(C)cc(N)c4O3)c(N)c12 ZINC000587392438 IJ Annotated Anodyne COCc1cc(C)nc2oc([C@@]3(c4ccccc4)CC(=O)c4cc(C)cc(N)c4O3)c(N)c12 ZINC000587392440 IJ Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587392671 IJ Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587392672 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2nn(Cc3ccon3)c3cccc1c23 ZINC000587392921 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2nn(Cc3ccon3)c3cccc1c23 ZINC000587392922 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccccc3C(=O)OC(C)(C)C)n1)O2 ZINC000587393116 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccccc3C(=O)OC(C)(C)C)n1)O2 ZINC000587393119 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C1)O2 ZINC000587393134 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C1)O2 ZINC000587393137 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C1)O2 ZINC000587393139 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C1)O2 ZINC000587393141 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn3c4c(cccc14)CN(C(=O)OC(C)(C)C)CC3)O2 ZINC000587393975 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn3c4c(cccc14)CN(C(=O)OC(C)(C)C)CC3)O2 ZINC000587393976 IJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395081 IJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395086 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)N(C)c1ccccc1)(c1c[nH]c3ccccc13)O2 ZINC000587395360 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)N(C)c1ccccc1)(c1c[nH]c3ccccc13)O2 ZINC000587395369 IJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccccc4)CC(=O)c4cc(C)cc(N)c4O3)cc2[nH]1 ZINC000587395731 IJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccccc4)CC(=O)c4cc(C)cc(N)c4O3)cc2[nH]1 ZINC000587395732 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)N1CCc3ccccc31)(c1c[nH]c3ccccc13)O2 ZINC000587397097 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)N1CCc3ccccc31)(c1c[nH]c3ccccc13)O2 ZINC000587397098 IJ Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587397119 IJ Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587397120 IJ Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587398186 IJ Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587398189 IJ Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 ZINC000587398582 IJ Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 ZINC000587398583 IJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(C=O)cc1OC ZINC000587398643 IJ Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(C=O)cc1OC ZINC000587398647 IJ Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1)c1ccccc1 ZINC000587398938 IJ Annotated Anodyne COC(=O)[C@@H](Oc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1)c1ccccc1 ZINC000587398940 IJ Annotated Anodyne COC(=O)[C@@H](Oc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1)c1ccccc1 ZINC000587398941 IJ Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1)c1ccccc1 ZINC000587398943 IJ Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1 ZINC000587399066 IJ Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1 ZINC000587399072 IJ Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587399370 IJ Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587399371 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OCc3ccccc3)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399875 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OCc3ccccc3)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399880 IJ Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)c1 ZINC000587400088 IJ Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)c1 ZINC000587400090 IJ Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OCCC ZINC000587400170 IJ Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OCCC ZINC000587400174 IJ Annotated Anodyne COC(=O)[C@H](Oc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC)c1ccccc1 ZINC000587400381 IJ Annotated Anodyne COC(=O)[C@H](Oc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC)c1ccccc1 ZINC000587400382 IJ Annotated Anodyne COC(=O)[C@@H](Oc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC)c1ccccc1 ZINC000587400383 IJ Annotated Anodyne COC(=O)[C@@H](Oc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC)c1ccccc1 ZINC000587400384 IJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587400551 IJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587400553 IJ Annotated Anodyne COc1ccc([C@@]2(c3cccc(OC)c3OC)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587400597 IJ Annotated Anodyne COc1ccc([C@]2(c3cccc(OC)c3OC)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587400598 IJ Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1 ZINC000587400879 IJ Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)cc1 ZINC000587400881 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCOc3ccc(C=O)cc3)cc1)O2 ZINC000587400918 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCOc3ccc(C=O)cc3)cc1)O2 ZINC000587400921 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(N3CCOCC3)cc1)(c1ccccc1)O2 ZINC000587401049 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(N3CCOCC3)cc1)(c1ccccc1)O2 ZINC000587401050 IJ Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587401363 IJ Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 ZINC000587401366 IJ Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401368 IJ Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401370 IJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587401410 IJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC(=O)OC(C)(C)C ZINC000587401413 IJ Annotated Anodyne COC(=O)c1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1 ZINC000587401884 IJ Annotated Anodyne COC(=O)c1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccccc1 ZINC000587401886 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)CCN(C(=O)OC(C)(C)C)CC3)O2 ZINC000587402117 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)CCN(C(=O)OC(C)(C)C)CC3)O2 ZINC000587402118 IJ Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(C)c(C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402242 IJ Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(C)c(C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402243 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c1c(O)c1ccccc1c2O ZINC000587403117 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c1c(O)c1ccccc1c2O ZINC000587403118 IJ Annotated Anodyne CCC[C@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403770 IJ Annotated Anodyne CCC[C@@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403771 IJ Annotated Anodyne CCC[C@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403772 IJ Annotated Anodyne CCC[C@@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403773 IJ Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587404591 IJ Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587404596 IJ Annotated Mild CCCCCCCCCCC[C@H]1C(=O)C(=O)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587404597 IJ Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587404599 IJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(C)cccc3c21 ZINC000587406739 IJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(C)cccc3c21 ZINC000587406740 IJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCCC4)O2 ZINC000587407015 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCCC4)O2 ZINC000587407016 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCCC4)O2 ZINC000587407017 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1)CCCC4)O2 ZINC000587407018 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccc3c(oc(=O)c4ccccc43)c1C)O2 ZINC000587407454 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc3c(oc(=O)c4ccccc43)c1C)O2 ZINC000587407456 IJ Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(S(C)(=O)=O)c1)(c1cc(C)ccc1C)O2 ZINC000587407681 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(S(C)(=O)=O)c1)(c1cc(C)ccc1C)O2 ZINC000587407682 IJ Annotated Anodyne COc1ccc(C2=C[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3O2)cc1OC ZINC000587408030 IJ Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc3O2)cc1OC ZINC000587408031 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(-c3ccccn3)s1)O2 ZINC000587408410 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(-c3ccccn3)s1)O2 ZINC000587408414 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)c3ccc(Cl)cc3)cc1)O2 ZINC000587408525 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)c3ccc(Cl)cc3)cc1)O2 ZINC000587408526 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1sccc1Br)O2 ZINC000587408848 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1sccc1Br)O2 ZINC000587408857 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@H]4C(=O)C[C@@]31C)O2 ZINC000587408968 IJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)O2 ZINC000587408969 IJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4C(=O)C[C@]31C)O2 ZINC000587408970 IJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)O2 ZINC000587408971 IJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@@]5(C)[C@@H]4C(=O)C[C@]31C)O2 ZINC000587408972 IJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]31C)O2 ZINC000587408973 IJ Annotated Mild CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409110 IJ Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587409112 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1cccc(S(C)(=O)=O)c1)O2 ZINC000587409535 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1cccc(S(C)(=O)=O)c1)O2 ZINC000587409536 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1ccsc1N)O2 ZINC000587409627 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1ccsc1N)O2 ZINC000587409629 IJ Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc2c(c1)OCO2 ZINC000587409793 IJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc2c(c1)OCO2 ZINC000587409795 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587409901 IJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587409902 IJ Annotated Mild CCOC(=O)c1sc(N)c([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587410016 IJ Annotated Anodyne CCOC(=O)c1sc(N)c([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587410021 IJ Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1Cl ZINC000587410036 IJ Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1Cl ZINC000587410040 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(CC(=O)O)c2Oc2c1ccc(C)c2C ZINC000587410049 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(CC(=O)O)c2Oc2c1ccc(C)c2C ZINC000587410053 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1cc(C)cc3oc(=O)c4c(c13)CCCC4)O2 ZINC000587410068 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1cc(C)cc3oc(=O)c4c(c13)CCCC4)O2 ZINC000587410075 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCC4)O2 ZINC000587410268 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCC4)O2 ZINC000587410280 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCC4)O2 ZINC000587410282 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1ccc3c4c(c(=O)oc3c1C)CCC4)O2 ZINC000587410284 IJ Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587410337 IJ Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587410338 IJ Annotated Anodyne CCC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410431 IJ Annotated Anodyne CCC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410433 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccc3c4c(c(=O)oc3c1C)CCCC4)O2 ZINC000587410769 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc3c4c(c(=O)oc3c1C)CCCC4)O2 ZINC000587410770 IJ Annotated Anodyne COc1ccc(Cc2nc(C)c([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)s2)cc1OC ZINC000587411029 IJ Annotated Anodyne COc1ccc(Cc2nc(C)c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)s2)cc1OC ZINC000587411033 IJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cnc(Cl)s1 ZINC000587411039 IJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cnc(Cl)s1 ZINC000587411047 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1N1CCCCC1)[C@@H](C2)C3=O ZINC000587411109 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1N1CCCCC1)[C@@H](C2)C3=O ZINC000587411112 IJ Annotated Anodyne COc1cc2c3c(c1)OC1([C@@H](Br)CCCCC[C@@H]1Br)[C@@H](C2)C3=O ZINC000587411262 IJ Annotated Reactive Cc1ccc(S(=O)(=O)Nc2ccccc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411305 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587411306 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(C=O)c(Br)c1Br)O2 ZINC000587411338 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(C=O)c(Br)c1Br)O2 ZINC000587411339 IJ Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587411388 IJ Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587411391 IJ Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587411392 IJ Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587411393 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)cccc1N1CCCCC1)[C@@H](C2)C3=O ZINC000587411516 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)cccc1N1CCCCC1)[C@@H](C2)C3=O ZINC000587411518 IJ Annotated Anodyne C=CCOc1c(Br)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587411618 IJ Annotated Mild C=CCOc1c(Br)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587411619 IJ Annotated Mild COc1ccc(OC)c(Nc2ncc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)s2)c1 ZINC000587411670 IJ Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)s2)c1 ZINC000587411673 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc1)O2 ZINC000587411725 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc1)O2 ZINC000587411726 IJ Annotated Anodyne CCOc1cc(Br)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587411897 IJ Annotated Anodyne CCOc1cc(Br)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCC ZINC000587411904 IJ Annotated Anodyne C=CCOc1c(Br)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587411909 IJ Annotated Mild C=CCOc1c(Br)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587411910 IJ Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)s1)O2 ZINC000587411980 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)s1)O2 ZINC000587411981 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4cc(OC)ccc4c1)[C@@H](C2)C3=O ZINC000587412068 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc4cc(OC)ccc4c1)[C@@H](C2)C3=O ZINC000587412075 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc3nc(C)cc(C)c3c1NC(=O)CCl)O2 ZINC000587412261 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc3nc(C)cc(C)c3c1NC(=O)CCl)O2 ZINC000587412288 IJ Annotated Reactive CCOc1ccc([C@H]2Oc3ccccc3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587412290 IJ Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587412295 IJ Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587412297 IJ Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587412299 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OC(C)C)c(OC)c1)[C@@H](C2)C3=O ZINC000587412489 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OC(C)C)c(OC)c1)[C@@H](C2)C3=O ZINC000587412495 IJ Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c(Cl)c1O ZINC000587412642 IJ Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c(Cl)c1O ZINC000587412649 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)(C(Br)Br)O2 ZINC000587413002 IJ Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)(C(Br)Br)O2 ZINC000587413005 IJ Annotated Reactive COc1ccc(OC)c(Nc2nc(C)c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)s2)c1 ZINC000587413020 IJ Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)s2)c1 ZINC000587413024 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccccc1)(c1ccccc1OC[C@@H]1CO1)O2 ZINC000587413146 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccccc1)(c1ccccc1OC[C@@H]1CO1)O2 ZINC000587413147 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccccc1)(c1ccccc1OC[C@H]1CO1)O2 ZINC000587413149 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccccc1)(c1ccccc1OC[C@H]1CO1)O2 ZINC000587413150 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1(COc4ccccc4Br)CCC1)[C@@H](C2)C3=O ZINC000587413288 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1(COc4ccccc4Br)CCC1)[C@@H](C2)C3=O ZINC000587413289 IJ Annotated Anodyne CCC#CCOc1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413328 IJ Annotated Mild CCC#CCOc1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587413330 IJ Annotated Mild CCN(CC)c1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587413389 IJ Annotated Reactive CCN(CC)c1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587413390 IJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC(C)C)cc1Br)[C@@H](C2)C3=O ZINC000587413395 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC(C)C)cc1Br)[C@@H](C2)C3=O ZINC000587413396 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3c(c1)OCO3)(c1c(N)sc3c1CCCC3)O2 ZINC000587413659 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3c(c1)OCO3)(c1c(N)sc3c1CCCC3)O2 ZINC000587413660 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(Cl)c(Cl)c1O)[C@@H](C2)C3=O ZINC000587413742 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(Cl)c(Cl)c1O)[C@@H](C2)C3=O ZINC000587413745 IJ Annotated Anodyne CCCOc1c(Br)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587413782 IJ Annotated Anodyne CCCOc1c(Br)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587413783 IJ Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1OCC ZINC000587413800 IJ Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(Br)c1OCC ZINC000587413801 IJ Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413850 IJ Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413851 IJ Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)nc1C ZINC000587413864 IJ Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)nc1C ZINC000587413865 IJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4cccs4)CC(=O)c4cc(C)cc(N)c4O3)cc2[nH]1 ZINC000587413878 IJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4cccs4)CC(=O)c4cc(C)cc(N)c4O3)cc2[nH]1 ZINC000587413879 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(N4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587414168 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(N4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587414173 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(Cl)c(N)c(Cl)c1)[C@@H](C2)C3=O ZINC000587414381 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Cl)c(N)c(Cl)c1)[C@@H](C2)C3=O ZINC000587414388 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OC)c(Cl)c1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587414451 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(Cl)c1)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587414453 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(OC)c(Cl)c1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587414454 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(Cl)c1)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587414456 IJ Annotated Reactive CCCCOc1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587414572 IJ Annotated Reactive CCCCOc1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587414580 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(Br)cc1N)[C@@H](C2)C3=O ZINC000587414796 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(Br)cc1N)[C@@H](C2)C3=O ZINC000587414801 IJ Annotated Anodyne CCOC(=O)c1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n(Cc2cccs2)c1C ZINC000587414822 IJ Annotated Anodyne CCOC(=O)c1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n(Cc2cccs2)c1C ZINC000587414825 IJ Annotated Anodyne C#CCOc1c(Cl)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br ZINC000587414912 IJ Annotated Mild C#CCOc1c(Cl)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br ZINC000587414914 IJ Annotated Mild COc1cc(O)c(OC)c2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccccc1)O2 ZINC000587415046 IJ Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccccc1)O2 ZINC000587415048 IJ Annotated Anodyne COc1cc(O)c(OC)c2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@H](c1ccccc1)O2 ZINC000587415049 IJ Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@H](c1ccccc1)O2 ZINC000587415050 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cc(Cl)c(C)cc1OC)[C@@H](C2)C3=O ZINC000587415422 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(Cl)c(C)cc1OC)[C@@H](C2)C3=O ZINC000587415423 IJ Annotated Reactive COc1cc2c3c(c1)OC(C(C)(C)Br)(C(C)(C)Br)[C@@H](C2)C3=O ZINC000587415578 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cn1)(c1c(N)sc3c1CCC3)O2 ZINC000587415966 IJ Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cn1)(c1c(N)sc3c1CCC3)O2 ZINC000587415969 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Br)ccc1N)[C@@H](C2)C3=O ZINC000587416412 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Br)ccc1N)[C@@H](C2)C3=O ZINC000587416413 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](C)CC(=O)O)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416434 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](C)CC(=O)O)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416435 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](C)CC(=O)O)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416436 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](C)CC(=O)O)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587416437 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587416461 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587416462 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1n(C)c1ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416463 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c1n(C)c1ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416464 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416531 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416533 IJ Annotated Anodyne COc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587416534 IJ Annotated Reactive COc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587416536 IJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(Br)c4ccc(OC)nc14)[C@@H](C2)C3=O ZINC000587416546 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c4ccc(OC)nc14)[C@@H](C2)C3=O ZINC000587416548 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(OCc4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587416732 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(OCc4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587416733 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(C1CCOCC1)[C@@H](C2)C3=O ZINC000587416871 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(C1CCOCC1)[C@@H](C2)C3=O ZINC000587416872 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(N)ccc4-c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416877 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(N)ccc4-c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416878 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)n(C)c4cc(Br)c(OC)cc14)[C@@H](C2)C3=O ZINC000587417037 IJ Annotated Clean COc1cc2c3c(c1)O[C@@H](c1c(C)n(C)c4cc(Br)c(OC)cc14)[C@@H](C2)C3=O ZINC000587417039 IJ Annotated Clean COc1cc2c3c(c1)O[C@@](/C=C(/C)N(C)C)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417059 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C(\C)N(C)C)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417060 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C(/C)N(C)C)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417062 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C(\C)N(C)C)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417065 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1oc4ccccc4c1NC(=O)[C@H](C)Cl)[C@@H](C2)C3=O ZINC000587417076 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1oc4ccccc4c1NC(=O)[C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587417078 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1oc4ccccc4c1NC(=O)[C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587417079 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1oc4ccccc4c1NC(=O)[C@H](C)Cl)[C@@H](C2)C3=O ZINC000587417081 IJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1N1CCCCC1)[C@@H](C2)C3=O ZINC000587417135 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1N1CCCCC1)[C@@H](C2)C3=O ZINC000587417136 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4-c4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587417157 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4-c4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587417158 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417184 IJ Annotated Bother COc1cc2c3c(c1)O[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417185 IJ Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1NC(=O)[C@H](C)Cl)[C@@H](C2)C3=O ZINC000587417254 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1NC(=O)[C@H](C)Cl)[C@@H](C2)C3=O ZINC000587417257 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1NC(=O)[C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587417258 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1NC(=O)[C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587417260 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cc4c(Br)ccc(OC)c4o1)[C@@H](C2)C3=O ZINC000587417266 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4c(Br)ccc(OC)c4o1)[C@@H](C2)C3=O ZINC000587417269 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1c(C)cc(C)c(C(=O)CCl)c1C)[C@@H](C2)C3=O ZINC000587417431 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1c(C)cc(C)c(C(=O)CCl)c1C)[C@@H](C2)C3=O ZINC000587417436 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Br)ccc1O)[C@@H](C2)C3=O ZINC000587417457 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Br)ccc1O)[C@@H](C2)C3=O ZINC000587417458 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Br)cc(Br)c1)[C@@H](C2)C3=O ZINC000587417512 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)cc(Br)c1)[C@@H](C2)C3=O ZINC000587417513 IJ Annotated Anodyne CC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417545 IJ Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417547 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(C=O)n(C)c1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587417654 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(C=O)n(C)c1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587417655 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587417734 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587417735 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587417736 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(NC(=O)C(C)(C)C)cc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587417737 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](COc1ccc([N+](=O)[O-])cc1Cl)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587417917 IJ Annotated Bother COc1cc2c3c(c1)O[C@@](COc1ccc([N+](=O)[O-])cc1Cl)(C(C)(C)C)[C@@H](C2)C3=O ZINC000587417922 IJ Annotated Bother COc1cc2c3c(c1)O[C@](CBr)(c1cc(F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418111 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418117 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](C2)C3=O ZINC000587418183 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](C2)C3=O ZINC000587418186 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ncc(Br)cn4)cc1)[C@@H](C2)C3=O ZINC000587418276 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ncc(Br)cn4)cc1)[C@@H](C2)C3=O ZINC000587418282 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4ncc(Br)cn4)c1)[C@@H](C2)C3=O ZINC000587418299 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(Oc4ncc(Br)cn4)c1)[C@@H](C2)C3=O ZINC000587418301 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(Br)c1)(C1CCOCC1)[C@@H](C2)C3=O ZINC000587418321 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(Br)c1)(C1CCOCC1)[C@@H](C2)C3=O ZINC000587418323 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(=O)n(Cc4ccc(Cl)cc4)c1)[C@@H](C2)C3=O ZINC000587418386 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(=O)n(Cc4ccc(Cl)cc4)c1)[C@@H](C2)C3=O ZINC000587418389 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4cc(Br)cc(OC)c4o1)[C@@H](C2)C3=O ZINC000587418405 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4cc(Br)cc(OC)c4o1)[C@@H](C2)C3=O ZINC000587418407 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(F)(F)F)c(F)c1)[C@@H](C2)C3=O ZINC000587418738 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(F)(F)F)c(F)c1)[C@@H](C2)C3=O ZINC000587418741 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1NC(=O)CCl)[C@@H](C2)C3=O ZINC000587418912 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1NC(=O)CCl)[C@@H](C2)C3=O ZINC000587418914 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(C)c1OC(F)F)[C@@H](C2)C3=O ZINC000587418924 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(C)c1OC(F)F)[C@@H](C2)C3=O ZINC000587418926 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587418947 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587418948 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cc4cc(OC)cc(Br)c4o1)[C@@H](C2)C3=O ZINC000587419015 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4cc(OC)cc(Br)c4o1)[C@@H](C2)C3=O ZINC000587419017 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Br)cc4)noc1C)[C@@H](C2)C3=O ZINC000587419049 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Br)cc4)noc1C)[C@@H](C2)C3=O ZINC000587419050 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O ZINC000587419287 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1c(F)cccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587419292 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1c(F)cccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587419298 IJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(Oc4nccc(C(F)(F)F)n4)cc1)[C@@H](C2)C3=O ZINC000587419427 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4nccc(C(F)(F)F)n4)cc1)[C@@H](C2)C3=O ZINC000587419438 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cc(C)ccc1OC(F)F)[C@@H](C2)C3=O ZINC000587419439 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(C)ccc1OC(F)F)[C@@H](C2)C3=O ZINC000587419440 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419578 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587419579 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587419598 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587419601 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(Br)cccc41)[C@@H](C2)C3=O ZINC000587419711 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(Br)cccc41)[C@@H](C2)C3=O ZINC000587419712 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(Br)c4nc(C(C)(C)C)oc14)[C@@H](C2)C3=O ZINC000587419715 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(Br)c4nc(C(C)(C)C)oc14)[C@@H](C2)C3=O ZINC000587419716 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc(Br)c41)[C@@H](C2)C3=O ZINC000587419729 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc(Br)c41)[C@@H](C2)C3=O ZINC000587419730 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(Br)[nH]c(-c4ccncc4)c1C)[C@@H](C2)C3=O ZINC000587419761 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(Br)[nH]c(-c4ccncc4)c1C)[C@@H](C2)C3=O ZINC000587419762 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O ZINC000587419817 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(C1CC1)[C@@H](C2)C3=O ZINC000587419823 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(C1CC1)[C@@H](C2)C3=O ZINC000587419826 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc(Br)cc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587419914 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc(Br)cc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587419918 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587420072 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587420084 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCCO4)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587420155 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCCO4)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587420159 IJ Annotated Anodyne COC(=O)C1(c2ccc(Cl)cc2)CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587420218 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1NC(=O)CCCl)[C@@H](C2)C3=O ZINC000587420224 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1NC(=O)CCCl)[C@@H](C2)C3=O ZINC000587420227 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](/C=C\N(C)C)([C@H](C)Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420362 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)([C@@H](C)Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420369 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)([C@@H](C)Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420370 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)([C@H](C)Oc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420373 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(C(F)(F)F)c1O)[C@@H](C2)C3=O ZINC000587420382 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(C(F)(F)F)c1O)[C@@H](C2)C3=O ZINC000587420385 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(/C(Cl)=N/Nc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587420450 IJ Annotated Mild COc1cc2c3c(c1)O[C@](C)(/C(Cl)=N/Nc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587420452 IJ Annotated Mild COc1cc2c3c(c1)O[C@@](Cc1ccccn1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587420453 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccn1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587420455 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420577 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420581 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cccc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420667 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420672 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccccc1N)[C@@H](C2)C3=O ZINC000587420673 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420929 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420931 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccccc1N)[C@@H](C2)C3=O ZINC000587421009 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4CC[C@H]1Cc1cc(Br)ccc1C4)[C@@H](C2)C3=O ZINC000587421038 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H]4CC[C@H]1Cc1cc(Br)ccc1C4)[C@@H](C2)C3=O ZINC000587421039 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4)nn4ccnc(Cl)c14)[C@@H](C2)C3=O ZINC000587421112 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4)nn4ccnc(Cl)c14)[C@@H](C2)C3=O ZINC000587421120 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(C)nn(-c5ccccc5)c4nc1Cl)[C@@H](C2)C3=O ZINC000587421173 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(C)nn(-c5ccccc5)c4nc1Cl)[C@@H](C2)C3=O ZINC000587421186 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1)[C@@H](C2)C3=O ZINC000587421342 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1)[C@@H](C2)C3=O ZINC000587421345 IJ Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4ncc(C(F)(F)F)cc4Cl)CC1)[C@@H](C2)C3=O ZINC000587421400 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(=O)n(Cc4ccc(Cl)c(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587421439 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(=O)n(Cc4ccc(Cl)c(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587421442 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OC(F)F)c(OC)c1)[C@@H](C2)C3=O ZINC000587421535 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OC(F)F)c(OC)c1)[C@@H](C2)C3=O ZINC000587421540 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)(F)F)c(Br)c1)[C@@H](C2)C3=O ZINC000587421551 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(F)(F)F)cc1F)[C@@H](C2)C3=O ZINC000587421646 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(F)(F)F)cc1F)[C@@H](C2)C3=O ZINC000587421648 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)(F)F)c(Br)c1)[C@@H](C2)C3=O ZINC000587421779 IJ Annotated Anodyne CCOC(=O)c1cnc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2c1Cl ZINC000587421798 IJ Annotated Anodyne CCOC(=O)c1cnc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2c1Cl ZINC000587421803 IJ Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 ZINC000587422278 IJ Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 ZINC000587422283 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc(C)c(Cl)c4C)c1)[C@@H](C2)C3=O ZINC000587422294 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc(C)c(Cl)c4C)c1)[C@@H](C2)C3=O ZINC000587422298 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o1)[C@@H](C2)C3=O ZINC000587422324 IJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o1)[C@@H](C2)C3=O ZINC000587422327 IJ Annotated Bother COc1cc2c3c(c1)O[C@](CBr)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587422337 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587422339 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587422426 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O ZINC000587422427 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(F)c(C(=O)O)c4)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587422522 IJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(F)c(C(=O)O)c4)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587422530 IJ Annotated Bother COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587422621 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587422624 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587422664 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(OC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587422665 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c[nH]c(C(=O)O)c1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587422699 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(OC(F)(F)F)c1O)[C@@H](C2)C3=O ZINC000587422702 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(OC(F)(F)F)c1O)[C@@H](C2)C3=O ZINC000587422704 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c[nH]c(C(=O)O)c1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587422705 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)ccc1OC(F)F)[C@@H](C2)C3=O ZINC000587422724 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(Br)ccc1OC(F)F)[C@@H](C2)C3=O ZINC000587422728 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)cccc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587422761 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)cccc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587422763 IJ Annotated Anodyne COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587422774 IJ Annotated Reactive COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587422779 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](C)(CC[C@](F)(Cl)C(F)(F)Br)[C@@H](C2)C3=O ZINC000587422831 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC[C@@](F)(Cl)C(F)(F)Br)[C@@H](C2)C3=O ZINC000587422834 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC[C@](F)(Cl)C(F)(F)Br)[C@@H](C2)C3=O ZINC000587422835 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC[C@@](F)(Cl)C(F)(F)Br)[C@@H](C2)C3=O ZINC000587422836 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)(F)F)cc1Br)[C@@H](C2)C3=O ZINC000587423121 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)(F)F)cc1Br)[C@@H](C2)C3=O ZINC000587423123 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587423173 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587423175 IJ Annotated Reactive CCOC(=O)[C@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423310 IJ Annotated Anodyne CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423311 IJ Annotated Anodyne CCOC(=O)[C@@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423312 IJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423313 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1cc(C)c(Cl)cc1F)[C@@H](C2)C3=O ZINC000587423498 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cc(C)c(Cl)cc1F)[C@@H](C2)C3=O ZINC000587423500 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc4nc(O)[nH]c4c1)[C@@H](C2)C3=O ZINC000587423534 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc4nc(O)[nH]c4c1)[C@@H](C2)C3=O ZINC000587423535 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587423634 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OC(F)(F)F)[C@@H](C2)C3=O ZINC000587423636 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cc(C(F)(F)F)ccc1F)[C@@H](C2)C3=O ZINC000587423639 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cc(C(F)(F)F)ccc1F)[C@@H](C2)C3=O ZINC000587423642 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cccc(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587423726 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(C(F)(F)F)c1F)[C@@H](C2)C3=O ZINC000587423730 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)cnc1NC(=O)C(C)(C)C)[C@@H](C2)C3=O ZINC000587423781 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)cnc1NC(=O)C(C)(C)C)[C@@H](C2)C3=O ZINC000587423787 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4c(F)c(F)cc(F)c4F)o1)[C@@H](C2)C3=O ZINC000587423943 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4c(F)c(F)cc(F)c4F)o1)[C@@H](C2)C3=O ZINC000587423944 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC(=O)N4)(c1c(F)cccc1F)[C@@H](C2)C3=O ZINC000587423977 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC(=O)N4)(c1c(F)cccc1F)[C@@H](C2)C3=O ZINC000587423978 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cn4nc(C(F)F)cc4C(F)F)o1)[C@@H](C2)C3=O ZINC000587424019 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cn4nc(C(F)F)cc4C(F)F)o1)[C@@H](C2)C3=O ZINC000587424020 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587424038 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587424040 IJ Annotated Reactive COc1cc2c3c(c1)OC1([C@@H](C2)C3=O)C(CCl)(CCl)CCC1(CCl)CCl ZINC000587424349 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(OC(F)(F)F)ccc1Br)[C@@H](C2)C3=O ZINC000587424495 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC(F)(F)F)ccc1Br)[C@@H](C2)C3=O ZINC000587424498 IJ Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 ZINC000587424625 IJ Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 ZINC000587424626 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587424637 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@@H](Br)Cc1ccc(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587424638 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587424639 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@H](Br)Cc1ccc(F)c(F)c1F)[C@@H](C2)C3=O ZINC000587424640 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1c(F)cc(F)cc1F)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587424747 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1c(F)cc(F)cc1F)([C@@H](C)Br)[C@@H](C2)C3=O ZINC000587424748 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1c(F)cc(F)cc1F)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587424749 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1c(F)cc(F)cc1F)([C@H](C)Br)[C@@H](C2)C3=O ZINC000587424750 IJ Annotated Reactive COC(=O)c1cc(-c2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)ccc1F ZINC000587424817 IJ Annotated Anodyne COC(=O)c1cc(-c2cccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)ccc1F ZINC000587424818 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1N)(c1c(F)cccc1F)[C@@H](C2)C3=O ZINC000587424837 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(Cl)ccc1N)(c1c(F)cccc1F)[C@@H](C2)C3=O ZINC000587424838 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(F)cc(Br)cc1Br)[C@@H](C2)C3=O ZINC000587424878 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(F)cc(Br)cc1Br)[C@@H](C2)C3=O ZINC000587424879 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1(COc4cccc(F)c4Br)CCC1)[C@@H](C2)C3=O ZINC000587424921 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1(COc4cccc(F)c4Br)CCC1)[C@@H](C2)C3=O ZINC000587424922 IJ Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1F ZINC000587425215 IJ Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1F ZINC000587425216 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccc([N+](=O)[O-])cc4)c(F)c1)[C@@H](C2)C3=O ZINC000587425231 IJ Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccc([N+](=O)[O-])cc4)c(F)c1)[C@@H](C2)C3=O ZINC000587425232 IJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(Br)ccc(Br)c1F)[C@@H](C2)C3=O ZINC000587425712 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)ccc(Br)c1F)[C@@H](C2)C3=O ZINC000587425713 IJ Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587425789 IJ Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F ZINC000587425790 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4ccc(F)cc4F)n1)[C@@H](C2)C3=O ZINC000587425971 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4ccc(F)cc4F)n1)[C@@H](C2)C3=O ZINC000587425972 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc(F)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587426262 IJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc(F)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587426264 IJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)O)c(F)c4)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587426388 IJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)O)c(F)c4)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587426389 IJ Annotated Bother COc1cc2c3c(c1)O[C@](CCCl)(c1ccc(Br)cc1F)[C@@H](C2)C3=O ZINC000587426436 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc(Br)cc1F)[C@@H](C2)C3=O ZINC000587426437 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)c4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587426535 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)c4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587426537 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)c(F)c1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587426835 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)c(F)c1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587426838 IJ Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c(F)c1 ZINC000587426851 IJ Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c(F)c1 ZINC000587426852 IJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1F ZINC000587427239 IJ Annotated Anodyne CCNC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1F ZINC000587427240 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4C#N)c(OC)c1)[C@@H](C2)C3=O ZINC000587427243 IJ Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4C#N)c(OC)c1)[C@@H](C2)C3=O ZINC000587427247 IJ Annotated Mild COC(=O)c1ccc(-c2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c(F)c1 ZINC000587427294 IJ Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c(F)c1 ZINC000587427296 IJ Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587427495 IJ Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587427496 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4ccccc4F)c(OC)c1)[C@@H](C2)C3=O ZINC000587428114 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4ccccc4F)c(OC)c1)[C@@H](C2)C3=O ZINC000587428116 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4nc(Cl)ncc4F)c(OC)c1)[C@@H](C2)C3=O ZINC000587428212 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4nc(Cl)ncc4F)c(OC)c1)[C@@H](C2)C3=O ZINC000587428214 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4ccc(F)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587429078 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4ccc(F)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587429079 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(C)n(CCc4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587429345 IJ Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1cc(C)n(CCc4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587429346 IJ Annotated Mild COc1cc2c3c(c1)O[C@@](CC(=O)Nc1ccc(F)cc1C)(c1ccccc1)[C@@H](C2)C3=O ZINC000587429405 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CC(=O)Nc1ccc(F)cc1C)(c1ccccc1)[C@@H](C2)C3=O ZINC000587429408 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4)c1N1CCCCC1)[C@@H](C2)C3=O ZINC000587429854 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4)c1N1CCCCC1)[C@@H](C2)C3=O ZINC000587429855 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccccc4C(=O)OC(C)(C)C)n1)[C@@H](C2)C3=O ZINC000587429858 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccccc4C(=O)OC(C)(C)C)n1)[C@@H](C2)C3=O ZINC000587429860 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccc(F)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587429928 IJ Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccc(F)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587429929 IJ Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cc(Cl)nc(Cl)n1)[C@@H](C2)C3=O ZINC000587429969 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cc(Cl)nc(Cl)n1)[C@@H](C2)C3=O ZINC000587429975 IJ Annotated Anodyne C=Cn1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc2c1CCN(Cc1ccccc1)C2 ZINC000587430037 IJ Annotated Anodyne C=Cn1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc2c1CCN(Cc1ccccc1)C2 ZINC000587430038 IJ Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 ZINC000587430068 IJ Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 ZINC000587430069 IJ Annotated Anodyne CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587430397 IJ Annotated Clean CCOC(=O)c1ccc(-n2c(C)cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2C)cc1 ZINC000587430398 IJ Annotated Clean COc1cc2c3c(c1)OC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)[C@@H](C2)C3=O ZINC000587430557 IJ Annotated Clean COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587430736 IJ Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587430742 IJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587430768 IJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587430770 IJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(C#N)cc4)c1)[C@@H](C2)C3=O ZINC000587430985 IJ Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(C#N)cc4)c1)[C@@H](C2)C3=O ZINC000587430986 IJ Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O ZINC000587431185 IJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O ZINC000587431187 IJ Annotated Bother COC(=O)N[C@@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431219 IJ Annotated Anodyne COC(=O)N[C@@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431221 IJ Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431223 IJ Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431227 IJ Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587431363 IJ Annotated Anodyne CCn1cc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587431370 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587431480 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4ccc(OC)cc14)[C@@H](C2)C3=O ZINC000587431483 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O ZINC000587431807 IJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc([N+](=O)[O-])cc4)c1)[C@@H](C2)C3=O ZINC000587431808 IJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)Nc4ccccc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587432226 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)Nc4ccccc4)c4ccccc14)[C@@H](C2)C3=O ZINC000587432228 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@]4(NC(=O)OC(C)(C)C)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587432335 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@]4(NC(=O)OC(C)(C)C)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587432340 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4cc(OC)ccc14)[C@@H](C2)C3=O ZINC000587432607 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4cc(OC)ccc14)[C@@H](C2)C3=O ZINC000587432608 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc5c(cc4C)OCCO5)c1C)[C@@H](C2)C3=O ZINC000587432619 IJ Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc5c(cc4C)OCCO5)c1C)[C@@H](C2)C3=O ZINC000587432620 IJ Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc14)[C@@H](C2)C3=O ZINC000587432657 IJ Annotated Mild COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc14)[C@@H](C2)C3=O ZINC000587432658 IJ Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cccc([N+](=O)[O-])c4)c1)[C@@H](C2)C3=O ZINC000587432696 IJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cccc([N+](=O)[O-])c4)c1)[C@@H](C2)C3=O ZINC000587432697 IJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccccc4[N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587432767 IJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccccc4[N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587432770 IJ Annotated Bother CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587432877 IJ Annotated Bother CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587432879 IJ Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1oc4cc([N+](=O)[O-])ccc4c1N)[C@@H](C2)C3=O ZINC000587432895 IJ Annotated Bother COc1cc2c3c(c1)O[C@](c1ccccc1)(c1oc4cc([N+](=O)[O-])ccc4c1N)[C@@H](C2)C3=O ZINC000587432896 IJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)Nc4ccccc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587433226 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)Nc4ccccc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587433231 IJ Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587433387 IJ Annotated Anodyne CCn1ncc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587433388 IJ Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1[N+](=O)[O-] ZINC000587434034 IJ Annotated Bother COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1[N+](=O)[O-] ZINC000587434035 IJ Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587434078 IJ Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587434079 IJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCc4ccccc4)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434114 IJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCc4ccccc4)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434115 IJ Annotated Bother COc1ccc(Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])cc1 ZINC000587434146 IJ Annotated Bother COc1ccc(Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])cc1 ZINC000587434151 IJ Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587434345 IJ Annotated Bother CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587434347 IJ Annotated Bother CC[C@@H](C)COc1cc([N+](=O)[O-])c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587434348 IJ Annotated Bother CC[C@@H](C)COc1cc([N+](=O)[O-])c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OC ZINC000587434349 IJ Annotated Bother COc1cccc([C@]2(c3oc4ccccc4c3N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587434448 IJ Annotated Anodyne COc1cccc([C@@]2(c3oc4ccccc4c3N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587434449 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c1C)[C@@H](C2)C3=O ZINC000587434520 IJ Annotated Clean COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587434576 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587434577 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587434578 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587434579 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c1C)[C@@H](C2)C3=O ZINC000587434621 IJ Annotated Clean COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc([N+](=O)[O-])cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587434639 IJ Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc([N+](=O)[O-])cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587434640 IJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)c(C)cc4C)nc4ncccn14)[C@@H](C2)C3=O ZINC000587434905 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)c(C)cc4C)nc4ncccn14)[C@@H](C2)C3=O ZINC000587434908 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cn5cccc(C)c5n4)cc1)[C@@H](C2)C3=O ZINC000587435166 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cn5cccc(C)c5n4)cc1)[C@@H](C2)C3=O ZINC000587435178 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(C)ccc4Oc4nc(C)c(C(C)=O)cc41)[C@@H](C2)C3=O ZINC000587435252 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(C)ccc4Oc4nc(C)c(C(C)=O)cc41)[C@@H](C2)C3=O ZINC000587435261 IJ Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587435782 IJ Annotated Anodyne CCOc1ccc(-c2nc3ccccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587435783 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1cccc4c(O)nccc14)(c1ccccc1)[C@@H](C2)C3=O ZINC000587435859 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1cccc4c(O)nccc14)(c1ccccc1)[C@@H](C2)C3=O ZINC000587435860 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)ccc4OC)nc4ccccn14)[C@@H](C2)C3=O ZINC000587436445 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)ccc4OC)nc4ccccn14)[C@@H](C2)C3=O ZINC000587436446 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4c(=O)c5cc(C)ccc5oc4nc1C)[C@@H](C2)C3=O ZINC000587436527 IJ Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cc4c(=O)c5cc(C)ccc5oc4nc1C)[C@@H](C2)C3=O ZINC000587436528 IJ Annotated Bother COc1ccc(-c2nc3cc(C)ccn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587436658 IJ Annotated Anodyne COc1ccc(-c2nc3cc(C)ccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587436659 IJ Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587436690 IJ Annotated Anodyne COc1cccc(-c2nc3ccc(C)cn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587436692 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc5c(c4)CCCC5)nc4ncccn14)[C@@H](C2)C3=O ZINC000587436722 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc5c(c4)CCCC5)nc4ncccn14)[C@@H](C2)C3=O ZINC000587436724 IJ Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587436964 IJ Annotated Anodyne COc1ccc(-c2nc3c(C)cccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587436966 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4cccnc4c1OC(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587437126 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4cccnc4c1OC(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587437129 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OCc4cn5ccccc5n4)c1)[C@@H](C2)C3=O ZINC000587437278 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OCc4cn5ccccc5n4)c1)[C@@H](C2)C3=O ZINC000587437285 IJ Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)c1ccccc1 ZINC000587438549 IJ Annotated Anodyne COC(=O)[C@@H](Oc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)c1ccccc1 ZINC000587438554 IJ Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)c1ccccc1 ZINC000587438556 IJ Annotated Anodyne COC(=O)[C@@H](Oc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)c1ccccc1 ZINC000587438558 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@H](C)Oc1ccc(C=O)cc1)[C@@H](C2)C3=O ZINC000587438570 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@@H](C)Oc1ccc(C=O)cc1)[C@@H](C2)C3=O ZINC000587438571 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@H](C)Oc1ccc(C=O)cc1)[C@@H](C2)C3=O ZINC000587438572 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@@H](C)Oc1ccc(C=O)cc1)[C@@H](C2)C3=O ZINC000587438573 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587438830 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587438832 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587438834 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587438836 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587439477 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587439478 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587439479 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587439480 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1[nH]c4ccccc4c1C(=O)O)[C@@H](C2)C3=O ZINC000587439915 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1[nH]c4ccccc4c1C(=O)O)[C@@H](C2)C3=O ZINC000587439930 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587439995 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587439999 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587440001 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587440003 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587440464 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587440465 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587440466 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1)[C@@H](C2)C3=O ZINC000587440467 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440692 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440695 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)c(OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587440845 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)c(OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587440849 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(O[C@@H](C(=O)O)c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587440854 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(O[C@@H](C(=O)O)c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587440858 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(O[C@H](C(=O)O)c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587440860 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(O[C@H](C(=O)O)c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587440863 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587441336 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCc4ccccc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587441340 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cc(C=O)ccc4OC)cc1)[C@@H](C2)C3=O ZINC000587441343 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cc(C=O)ccc4OC)cc1)[C@@H](C2)C3=O ZINC000587441345 IJ Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441573 IJ Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441574 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587441704 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587441705 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1ccc(C=O)cc1)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587441921 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1ccc(C=O)cc1)(c1ccc(C)c(C)c1)[C@@H](C2)C3=O ZINC000587441922 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1cc(C=O)ccc1OC)[C@@H](C2)C3=O ZINC000587442044 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1cc(C=O)ccc1OC)[C@@H](C2)C3=O ZINC000587442047 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccccc4C=O)c1)[C@@H](C2)C3=O ZINC000587442102 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccccc4C=O)c1)[C@@H](C2)C3=O ZINC000587442105 IJ Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587442153 IJ Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 ZINC000587442159 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H]1CCCC[C@H]1C(=O)O)(c1ccccc1OC)[C@@H](C2)C3=O ZINC000587442179 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H]1CCCC[C@H]1C(=O)O)(c1ccccc1OC)[C@@H](C2)C3=O ZINC000587442184 IJ Annotated Anodyne COc1cc2c3c(c1)OC1(CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC1)[C@@H](C2)C3=O ZINC000587442252 IJ Annotated Anodyne COc1cccc(OCc2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc2OC)c1 ZINC000587442274 IJ Annotated Anodyne COc1cccc(OCc2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc2OC)c1 ZINC000587442276 IJ Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccccc1 ZINC000587442325 IJ Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1ccccc1 ZINC000587442329 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(C=O)cc4)c1)[C@@H](C2)C3=O ZINC000587442335 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(C=O)cc4)c1)[C@@H](C2)C3=O ZINC000587442336 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCc4cc(C=O)ccc4OC)c1)[C@@H](C2)C3=O ZINC000587442677 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4cc(C=O)ccc4OC)c1)[C@@H](C2)C3=O ZINC000587442679 IJ Annotated Anodyne COc1cccc(COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)c1 ZINC000587442722 IJ Annotated Anodyne COc1cccc(COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)c1 ZINC000587442723 IJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Oc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442785 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Oc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442786 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCOC(=O)c1ccc(O)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587443130 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCOC(=O)c1ccc(O)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587443131 IJ Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587443255 IJ Annotated Anodyne COc1cccc(COc2c(OC)cccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587443256 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC(=O)OC(C)(C)C)c(OC)c1)[C@@H](C2)C3=O ZINC000587443276 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC(=O)OC(C)(C)C)c(OC)c1)[C@@H](C2)C3=O ZINC000587443277 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cccc(C=O)c4)c1)[C@@H](C2)C3=O ZINC000587443310 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cccc(C=O)c4)c1)[C@@H](C2)C3=O ZINC000587443311 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccccc4OC)c1)[C@@H](C2)C3=O ZINC000587443318 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccccc4OC)c1)[C@@H](C2)C3=O ZINC000587443319 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCCOc4ccccc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587443558 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCCOc4ccccc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587443561 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443583 IJ Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443592 IJ Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443595 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443598 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(OC)cccc1OC(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587443853 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(OC)cccc1OC(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587443856 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444274 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444277 IJ Annotated Anodyne COc1cc2c3c(c1)OC1(CCC4(CCN(C(=O)OC(C)(C)C)CC4)CC1)[C@@H](C2)C3=O ZINC000587444317 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCOc4ccc(C=O)cc4)cc1)[C@@H](C2)C3=O ZINC000587444478 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCCCOc4ccc(C=O)cc4)cc1)[C@@H](C2)C3=O ZINC000587444479 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)cc(OCc4ccccc4)cc1OC)[C@@H](C2)C3=O ZINC000587444682 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)cc(OCc4ccccc4)cc1OC)[C@@H](C2)C3=O ZINC000587444683 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCCC14CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587445000 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCCC14CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587445004 IJ Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587445265 IJ Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587445266 IJ Annotated Anodyne COc1cccc(COc2cc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc2OC)c1 ZINC000587445273 IJ Annotated Anodyne COc1cccc(COc2cc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc2OC)c1 ZINC000587445275 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(CCC(=O)OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587445429 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(CCC(=O)OCc4ccccc4)c1)[C@@H](C2)C3=O ZINC000587445432 IJ Annotated Anodyne COC(=O)c1cccc(COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 ZINC000587445433 IJ Annotated Anodyne COC(=O)c1cccc(COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 ZINC000587445434 IJ Annotated Anodyne COc1ccc(COc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587445488 IJ Annotated Anodyne COc1ccc(COc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)cc1 ZINC000587445489 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587445659 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587445663 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C1)[C@@H](C2)C3=O ZINC000587445710 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C1)[C@@H](C2)C3=O ZINC000587445711 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CSCC(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587447558 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSCC(=O)c1ccccc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587447559 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc4c(c1)-c1ccccc1C4)[C@@H](C2)C3=O ZINC000587447669 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc4c(c1)-c1ccccc1C4)[C@@H](C2)C3=O ZINC000587447671 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(S(=O)(=O)CC4CCCCC4)c1)[C@@H](C2)C3=O ZINC000587447726 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(S(=O)(=O)CC4CCCCC4)c1)[C@@H](C2)C3=O ZINC000587447727 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)Oc4cc(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587447746 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)Oc4cc(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587447747 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)CC4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587447919 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)CC4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587447920 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448029 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC1C(=O)CC(C)(C)CC1=O)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448033 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)([C@@H](C#N)c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O ZINC000587449069 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@H](C#N)c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O ZINC000587449072 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@@H](C#N)c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O ZINC000587449073 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)([C@H](C#N)c1nc(-c4ccccc4)cs1)[C@@H](C2)C3=O ZINC000587449074 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cnc(Cl)s4)c(OC)c1)[C@@H](C2)C3=O ZINC000587449175 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cnc(Cl)s4)c(OC)c1)[C@@H](C2)C3=O ZINC000587449196 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4cc(C)ccc4OC)nc4sccn14)[C@@H](C2)C3=O ZINC000587449378 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4cc(C)ccc4OC)nc4sccn14)[C@@H](C2)C3=O ZINC000587449383 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H](c4c(C)cc(C)cc4C)C(=O)OC14CCCC4)[C@@H](C2)C3=O ZINC000587449408 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H](c2c(C)cc(C)cc2C)C(=O)OC12CCCC2 ZINC000587449413 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H](c4c(C)cc(C)cc4C)C(=O)OC14CCCC4)[C@@H](C2)C3=O ZINC000587449416 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@@H](c2c(C)cc(C)cc2C)C(=O)OC12CCCC2 ZINC000587449421 IJ Annotated Anodyne CCCCCCCS(=O)(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587449423 IJ Annotated Mild CCCCCCCS(=O)(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587449430 IJ Annotated Mild COc1cc2c3c(c1)O[C@@](CBr)(c1sccc1Br)[C@@H](C2)C3=O ZINC000587449726 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1sccc1Br)[C@@H](C2)C3=O ZINC000587449727 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Br)sc1Br)[C@@H](C2)C3=O ZINC000587449739 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)sc1Br)[C@@H](C2)C3=O ZINC000587449743 IJ Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)c1 ZINC000587449805 IJ Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)c1 ZINC000587449809 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(CSc4ccccc4)nn(C)c1Cl)[C@@H](C2)C3=O ZINC000587449880 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(CSc4ccccc4)nn(C)c1Cl)[C@@H](C2)C3=O ZINC000587449881 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@H](Br)CC(=O)O)CC2=O ZINC000587449985 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@H](Br)CC(=O)O)CC2=O ZINC000587449987 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@@H](Br)CC(=O)O)CC2=O ZINC000587449990 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@@H](Br)CC(=O)O)CC2=O ZINC000587449992 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(CSc1nc4ccc([N+](=O)[O-])cc4s1)[C@@H](C2)C3=O ZINC000587450035 IJ Annotated Bother COc1cc2c3c(c1)O[C@](C)(CSc1nc4ccc([N+](=O)[O-])cc4s1)[C@@H](C2)C3=O ZINC000587450039 IJ Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccc5nsnc5c4)cc1)[C@@H](C2)C3=O ZINC000587450112 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccc5nsnc5c4)cc1)[C@@H](C2)C3=O ZINC000587450115 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(COc1ccc4c(oc(=O)c5ccccc54)c1C)[C@@H](C2)C3=O ZINC000587450214 IJ Annotated Bother COc1cc2c3c(c1)O[C@@](C)(COc1ccc4c(oc(=O)c5ccccc54)c1C)[C@@H](C2)C3=O ZINC000587450215 IJ Annotated Bother CCOC(=O)c1sc(SC)c2c1CCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450368 IJ Annotated Anodyne CCOC(=O)c1sc(SC)c2c1CCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450373 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccs1)(C(Br)Br)[C@@H](C2)C3=O ZINC000587450376 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cccs1)(C(Br)Br)[C@@H](C2)C3=O ZINC000587450379 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1ccsc1N)[C@@H](C2)C3=O ZINC000587450484 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1ccsc1N)[C@@H](C2)C3=O ZINC000587450485 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1c(N)sc4c1CCC(C)(C)C4)[C@@H](C2)C3=O ZINC000587450650 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccncc1)(c1c(N)sc4c1CCC(C)(C)C4)[C@@H](C2)C3=O ZINC000587450652 IJ Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587450669 IJ Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587450677 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)c4ccc(Cl)cc4)cc1)[C@@H](C2)C3=O ZINC000587450714 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)c4ccc(Cl)cc4)cc1)[C@@H](C2)C3=O ZINC000587450715 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc4c5c(c(=O)oc4c1)CCCC5)[C@@H](C2)C3=O ZINC000587450792 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc4c5c(c(=O)oc4c1)CCCC5)[C@@H](C2)C3=O ZINC000587450799 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc4c5c(c(=O)oc4c1)CCCC5)[C@@H](C2)C3=O ZINC000587450800 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc4c5c(c(=O)oc4c1)CCCC5)[C@@H](C2)C3=O ZINC000587450802 IJ Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450817 IJ Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450828 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc4c5c(c(=O)oc4c1C)CCC5)[C@@H](C2)C3=O ZINC000587450849 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4cccc(C)c4C)n1)[C@@H](C2)C3=O ZINC000587450853 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4cccc(C)c4C)n1)[C@@H](C2)C3=O ZINC000587450856 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc4c5c(c(=O)oc4c1C)CCC5)[C@@H](C2)C3=O ZINC000587450858 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc4c5c(c(=O)oc4c1C)CCC5)[C@@H](C2)C3=O ZINC000587450862 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc4c5c(c(=O)oc4c1C)CCC5)[C@@H](C2)C3=O ZINC000587450866 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cn1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587451208 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cn1)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587451213 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4ccc(C)c(C)c4)n1)[C@@H](C2)C3=O ZINC000587451311 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4ccc(C)c(C)c4)n1)[C@@H](C2)C3=O ZINC000587451312 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc4c(c1)oc(=O)c1ccccc14)[C@@H](C2)C3=O ZINC000587451320 IJ Annotated Bother COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc4c(c1)oc(=O)c1ccccc14)[C@@H](C2)C3=O ZINC000587451333 IJ Annotated Bother COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc4c(c1)oc(=O)c1ccccc14)[C@@H](C2)C3=O ZINC000587451335 IJ Annotated Bother COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc4c(c1)oc(=O)c1ccccc14)[C@@H](C2)C3=O ZINC000587451337 IJ Annotated Bother CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587451492 IJ Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587451497 IJ Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587451499 IJ Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)[C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c12 ZINC000587451509 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1SC)([C@@H]1CCCC[C@H]1C(=O)O)[C@@H](C2)C3=O ZINC000587451557 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1SC)([C@@H]1CCCC[C@H]1C(=O)O)[C@@H](C2)C3=O ZINC000587451560 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(Br)s1)[C@@H](C2)C3=O ZINC000587451633 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(Br)s1)[C@@H](C2)C3=O ZINC000587451634 IJ Annotated Anodyne CCOC(=O)c1sc(N)c([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587451661 IJ Annotated Anodyne CCOC(=O)c1sc(N)c([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587451662 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)C(=O)OCC)CC2=O ZINC000587451934 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Br)C(=O)OCC)CC2=O ZINC000587451936 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)C(=O)OCC)CC2=O ZINC000587451939 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](Br)C(=O)OCC)CC2=O ZINC000587451942 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1cc(C)cc4oc(=O)c(C)c(C)c14)[C@@H](C2)C3=O ZINC000587452055 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1cc(C)cc4oc(=O)c(C)c(C)c14)[C@@H](C2)C3=O ZINC000587452056 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1cc(C)cc4oc(=O)c(C)c(C)c14)[C@@H](C2)C3=O ZINC000587452057 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1cc(C)cc4oc(=O)c(C)c(C)c14)[C@@H](C2)C3=O ZINC000587452058 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(SCc5ccccc5)ccc41)[C@@H](C2)C3=O ZINC000587452160 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(SCc5ccccc5)ccc41)[C@@H](C2)C3=O ZINC000587452164 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4csc(C)n4)=C(C)Oc4cc(O)c(C)cc41)[C@@H](C2)C3=O ZINC000587452171 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4csc(C)n4)=C(C)Oc4cc(O)c(C)cc41)[C@@H](C2)C3=O ZINC000587452178 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccc4c(C)c(C)c(=O)oc4c1C)[C@@H](C2)C3=O ZINC000587452273 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccc4c(C)c(C)c(=O)oc4c1C)[C@@H](C2)C3=O ZINC000587452275 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccc4c(C)c(C)c(=O)oc4c1C)[C@@H](C2)C3=O ZINC000587452278 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccc4c(C)c(C)c(=O)oc4c1C)[C@@H](C2)C3=O ZINC000587452280 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587452323 IJ Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc4c(s1)CN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587452346 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(s1)CN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587452348 IJ Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587452370 IJ Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587452372 IJ Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587452497 IJ Annotated Anodyne COc1ccc(-c2nc3scc(C)n3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587452498 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4cccc(Cl)c4)n1)[C@@H](C2)C3=O ZINC000587452671 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4cccc(Cl)c4)n1)[C@@H](C2)C3=O ZINC000587452673 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)s1)[C@@H](C2)C3=O ZINC000587452701 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1cc(Br)c(Br)s1)[C@@H](C2)C3=O ZINC000587452703 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)c(Br)s1)[C@@H](C2)C3=O ZINC000587452705 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1nc(C)c(C)[nH]1)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587452742 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1nc(C)c(C)[nH]1)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587452744 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1scc(Br)c1Br)[C@@H](C2)C3=O ZINC000587452984 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1scc(Br)c1Br)[C@@H](C2)C3=O ZINC000587452986 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4c(C)cccc4C)n1)[C@@H](C2)C3=O ZINC000587453143 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4c(C)cccc4C)n1)[C@@H](C2)C3=O ZINC000587453144 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(N(C(C)=O)c4ccc(Cl)cc4)n1)[C@@H](C2)C3=O ZINC000587453191 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(N(C(C)=O)c4ccc(Cl)cc4)n1)[C@@H](C2)C3=O ZINC000587453192 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(c4ccc(OC)c(OC)c4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587453338 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(c4ccc(OC)c(OC)c4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587453339 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1scc(Br)c1Br)[C@@H](C2)C3=O ZINC000587453524 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1scc(Br)c1Br)[C@@H](C2)C3=O ZINC000587453528 IJ Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587453640 IJ Annotated Anodyne CCOc1ccc(-c2nc3sccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587453643 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(Nc4ccc(Cl)cn4)nc1C)[C@@H](C2)C3=O ZINC000587453705 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(Nc4ccc(Cl)cn4)nc1C)[C@@H](C2)C3=O ZINC000587453707 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1sc(N)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587453747 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1sc(N)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587453752 IJ Annotated Anodyne COc1ccc([C@@]2(c3coc4ccc(O)cc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587453768 IJ Annotated Anodyne COc1ccc([C@]2(c3coc4ccc(O)cc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587453769 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4nc(C)cs4)c1C)[C@@H](C2)C3=O ZINC000587453771 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4nc(C)cs4)c1C)[C@@H](C2)C3=O ZINC000587453772 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(-c4ccccn4)s1)[C@@H](C2)C3=O ZINC000587453958 IJ Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(-c4ccccn4)s1)[C@@H](C2)C3=O ZINC000587453960 IJ Annotated Reactive COc1cc2c3c(c1)O[C@@](CSc1ccccc1C(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587453963 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1ccccc1C(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587453977 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(Oc4ccccc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587453995 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(Oc4ccccc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587453999 IJ Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCCC4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587454180 IJ Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587454187 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(Br)c1Br)[C@@H](C2)C3=O ZINC000587454313 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(Br)c1Br)[C@@H](C2)C3=O ZINC000587454316 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cccc(CC(=O)O)c4Oc4c1ccc(C)c4C)[C@@H](C2)C3=O ZINC000587454387 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc(CC(=O)O)c4Oc4c1ccc(C)c4C)[C@@H](C2)C3=O ZINC000587454389 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(COc1ccc4c5c(c(=O)oc4c1C)CCCC5)[C@@H](C2)C3=O ZINC000587454592 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(COc1ccc4c5c(c(=O)oc4c1C)CCCC5)[C@@H](C2)C3=O ZINC000587454595 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(COc1cc(C)cc4oc(=O)c5c(c14)CCCC5)[C@@H](C2)C3=O ZINC000587454607 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(COc1cc(C)cc4oc(=O)c5c(c14)CCCC5)[C@@H](C2)C3=O ZINC000587454608 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4ccc([C@@H](C)C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587454631 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4ccc([C@@H](C)C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587454633 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4ccc([C@H](C)C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587454634 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4ccc([C@H](C)C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587454635 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(C)=C(c4ccccc4)Oc4c(C(=O)O)cccc41)[C@@H](C2)C3=O ZINC000587454673 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(C)=C(c4ccccc4)Oc4c(C(=O)O)cccc41)[C@@H](C2)C3=O ZINC000587454674 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(N)sc4c1CCSC4)[C@@H](C2)C3=O ZINC000587454705 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(N)sc4c1CCSC4)[C@@H](C2)C3=O ZINC000587454706 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)C4=C(OC[C@@H]4C)c4ccc5c(C)cccc5c41)[C@@H](C2)C3=O ZINC000587454738 IJ Annotated Mild COc1cc2c3c(c1)O[C@]1(C(=O)C4=C(OC[C@@H]4C)c4ccc5c(C)cccc5c41)[C@@H](C2)C3=O ZINC000587454739 IJ Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(ccc5c(C)cccc45)C4=C1[C@@H](C)CO4)[C@@H](C2)C3=O ZINC000587454905 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(ccc5c(C)cccc45)C4=C1[C@@H](C)CO4)[C@@H](C2)C3=O ZINC000587454909 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc4cc(C(=O)O)ccc4o1)[C@@H](C2)C3=O ZINC000587455135 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc4cc(C(=O)O)ccc4o1)[C@@H](C2)C3=O ZINC000587455136 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)cc1OC)CC2=O ZINC000587455401 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)cc1OC)CC2=O ZINC000587455402 IJ Annotated Reactive CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455540 IJ Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455541 IJ Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455542 IJ Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455543 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@]1(CCBr)C(=O)OCC)CC2=O ZINC000587455601 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CCC[C@@]1(CCBr)C(=O)OCC)CC2=O ZINC000587455602 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@]1(CCBr)C(=O)OCC)CC2=O ZINC000587455603 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CCC[C@]1(CCBr)C(=O)OCC)CC2=O ZINC000587455604 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3cccn3)c(Br)c1)CC2=O ZINC000587455615 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3cccn3)c(Br)c1)CC2=O ZINC000587455616 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1ccnc1)(c1ccccc1Br)CC2=O ZINC000587455671 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1ccnc1)(c1ccccc1Br)CC2=O ZINC000587455672 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(=O)OCC)cc1)CC2=O ZINC000587455677 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(=O)OCC)cc1)CC2=O ZINC000587455679 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCN(C)C)c(Br)c1)CC2=O ZINC000587455800 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCN(C)C)c(Br)c1)CC2=O ZINC000587455801 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Br)cccc1N1CCOCC1)CC2=O ZINC000587455807 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cccc1N1CCOCC1)CC2=O ZINC000587455808 IJ Annotated Anodyne COc1cccc([C@@]2(c3coc4ccc(O)cc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587455827 IJ Annotated Anodyne COc1cccc([C@]2(c3coc4ccc(O)cc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587455828 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)c(Br)c1)CC2=O ZINC000587455878 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)c(Br)c1)CC2=O ZINC000587455879 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C)c([N+](=O)[O-])c1)CC2=O ZINC000587456030 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C)c([N+](=O)[O-])c1)CC2=O ZINC000587456031 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(OC)cccc1OC)CC2=O ZINC000587456042 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(OC)cccc1OC)CC2=O ZINC000587456043 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1C(=O)OCC)CC2=O ZINC000587456094 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1C(=O)OCC)CC2=O ZINC000587456095 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccc1Br)CC2=O ZINC000587456114 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccccc1Br)CC2=O ZINC000587456116 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccccc1Br)CC2=O ZINC000587456121 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccccc1Br)CC2=O ZINC000587456122 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(OC)ccc1OC)CC2=O ZINC000587456236 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(OC)ccc1OC)CC2=O ZINC000587456237 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccccc1Br)CC2=O ZINC000587456246 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccccc1Br)CC2=O ZINC000587456247 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)CBr)c1)CC2=O ZINC000587456248 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)CBr)c1)CC2=O ZINC000587456249 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OC)c(OC)c1O)CC2=O ZINC000587456284 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OC)c(OC)c1O)CC2=O ZINC000587456285 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc3c(c1)OCCCO3)CC2=O ZINC000587456308 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc3c(c1)OCCCO3)CC2=O ZINC000587456309 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cnn(-c3ccccc3)c1)CC2=O ZINC000587456385 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cnn(-c3ccccc3)c1)CC2=O ZINC000587456386 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OCC#N)c(OC)c1)CC2=O ZINC000587456556 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OCC#N)c(OC)c1)CC2=O ZINC000587456557 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)c(C(=O)OC)c1)CC2=O ZINC000587456619 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)c(C(=O)OC)c1)CC2=O ZINC000587456620 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ncc[nH]1)CC2=O ZINC000587456647 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ncc[nH]1)CC2=O ZINC000587456655 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(Cl)c(Br)cc21 ZINC000587456696 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(Cl)c(Br)cc21 ZINC000587456699 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1N1CCOCC1)CC2=O ZINC000587456785 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1N1CCOCC1)CC2=O ZINC000587456787 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(NC(C)=O)cc1)CC2=O ZINC000587456843 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(NC(C)=O)cc1)CC2=O ZINC000587456844 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCC(=O)OC)(c1ccc(Br)cc1)CC2=O ZINC000587456866 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OC)(c1ccc(Br)cc1)CC2=O ZINC000587456867 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCC(C)(C)O)CC2=O ZINC000587456950 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCC(C)(C)O)CC2=O ZINC000587456956 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCBr)c(OC)c1)CC2=O ZINC000587456983 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCBr)c(OC)c1)CC2=O ZINC000587456985 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCCCO)CC2=O ZINC000587457023 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCCCO)CC2=O ZINC000587457025 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCc1ccccc1)(c1ccccc1OC[C@H]1CO1)[C@@H](C2)C3=O ZINC000587457174 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CCc1ccccc1)(c1ccccc1OC[C@@H]1CO1)[C@@H](C2)C3=O ZINC000587457175 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCc1ccccc1)(c1ccccc1OC[C@@H]1CO1)[C@@H](C2)C3=O ZINC000587457176 IJ Annotated Anodyne COc1cc2c3c(c1)O[C@](CCc1ccccc1)(c1ccccc1OC[C@H]1CO1)[C@@H](C2)C3=O ZINC000587457177 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@@H](C)C(=O)O)c(Br)c1)CC2=O ZINC000587457190 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(O[C@H](C)C(=O)O)c(Br)c1)CC2=O ZINC000587457191 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@@H](C)C(=O)O)c(Br)c1)CC2=O ZINC000587457192 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(O[C@H](C)C(=O)O)c(Br)c1)CC2=O ZINC000587457193 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOC)c(Br)c1)CC2=O ZINC000587457206 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOC)c(Br)c1)CC2=O ZINC000587457207 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587457249 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587457250 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3ccnc3)c(Br)c1)CC2=O ZINC000587457276 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3ccnc3)c(Br)c1)CC2=O ZINC000587457278 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccc(Br)c1)CC2=O ZINC000587457318 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccc(Br)c1)CC2=O ZINC000587457320 IJ Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)O)(c2cccc(Br)c2)C1 ZINC000587457334 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)cc1Br)CC2=O ZINC000587457384 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)cc1Br)CC2=O ZINC000587457385 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(C)=O)c(Br)c1)CC2=O ZINC000587457433 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(C)=O)c(Br)c1)CC2=O ZINC000587457434 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCO3)([C@@H](C)Br)CC2=O ZINC000587457441 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCO3)([C@H](C)Br)CC2=O ZINC000587457442 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)OCO3)([C@H](C)Br)CC2=O ZINC000587457443 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)OCO3)([C@@H](C)Br)CC2=O ZINC000587457444 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(Br)cc1)CC2=O ZINC000587457525 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(Br)cc1)CC2=O ZINC000587457526 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)([C@H](C)C(=O)OC)CC2=O ZINC000587457541 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)([C@H](C)C(=O)OC)CC2=O ZINC000587457542 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)([C@@H](C)C(=O)OC)CC2=O ZINC000587457543 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)([C@@H](C)C(=O)OC)CC2=O ZINC000587457544 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3c([N+](=O)[O-])cc(Br)cc31)CC2=O ZINC000587457545 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CCOc3c([N+](=O)[O-])cc(Br)cc31)CC2=O ZINC000587457546 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Cl)cc(Br)cc21 ZINC000587457567 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Cl)cc(Br)cc21 ZINC000587457568 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1N1CCOCC1)CC2=O ZINC000587457571 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1N1CCOCC1)CC2=O ZINC000587457572 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(Br)cc1)CC2=O ZINC000587457573 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(Br)cc1)CC2=O ZINC000587457574 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cnn1[C@@H]1CCCCO1)CC2=O ZINC000587457613 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cnn1[C@H]1CCCCO1)CC2=O ZINC000587457614 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Br)cnn1[C@@H]1CCCCO1)CC2=O ZINC000587457615 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Br)cnn1[C@H]1CCCCO1)CC2=O ZINC000587457616 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C#N)=COc2ccc(Br)cc21 ZINC000587457683 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C#N)=COc2ccc(Br)cc21 ZINC000587457684 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ncc1Br)CC2=O ZINC000587457687 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ncc1Br)CC2=O ZINC000587457688 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Br)ccnc1Br)CC2=O ZINC000587457751 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccnc1Br)CC2=O ZINC000587457752 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(Br)c(Cl)c21 ZINC000587457775 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(Br)c(Cl)c21 ZINC000587457776 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccc(Br)c1)CC2=O ZINC000587457832 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccc(Br)c1)CC2=O ZINC000587457833 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(cc1Br)OCCO3)CC2=O ZINC000587458017 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(cc1Br)OCCO3)CC2=O ZINC000587458018 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(Br)cc1)CC2=O ZINC000587458096 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(Br)cc1)CC2=O ZINC000587458097 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccccc1Br)CC2=O ZINC000587458099 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccccc1Br)CC2=O ZINC000587458101 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1coc3ccc(Br)cc3c1=O)CC2=O ZINC000587458147 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1coc3ccc(Br)cc3c1=O)CC2=O ZINC000587458148 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC)c2c(Br)cc(C)cc21 ZINC000587458225 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)c2c(Br)cc(C)cc21 ZINC000587458226 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1cncnc1)CC2=O ZINC000587458281 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1cncnc1)CC2=O ZINC000587458282 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1O[C@@H](C)C(=O)O)CC2=O ZINC000587458306 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1O[C@H](C)C(=O)O)CC2=O ZINC000587458307 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1O[C@@H](C)C(=O)O)CC2=O ZINC000587458308 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1O[C@H](C)C(=O)O)CC2=O ZINC000587458309 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1C(=O)c3ccccc3N/C1=C\Cl)CC2=O ZINC000587458335 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1C(=O)c3ccccc3N/C1=C\Cl)CC2=O ZINC000587458342 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1C(=O)c3ccccc3N/C1=C/Cl)CC2=O ZINC000587458343 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1C(=O)c3ccccc3N/C1=C/Cl)CC2=O ZINC000587458344 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(Br)cc1)CC2=O ZINC000587458375 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(Br)cc1)CC2=O ZINC000587458376 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CC[C@@H](C)NC(C)=O)cc1)CC2=O ZINC000587458466 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CC[C@H](C)NC(C)=O)cc1)CC2=O ZINC000587458468 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CC[C@H](C)NC(C)=O)cc1)CC2=O ZINC000587458470 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CC[C@@H](C)NC(C)=O)cc1)CC2=O ZINC000587458472 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)nc1Br)CC2=O ZINC000587458505 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)nc1Br)CC2=O ZINC000587458506 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(/C=C\C(=O)O)=COc2ccc(Cl)cc21 ZINC000587458569 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(/C=C/C(=O)O)=COc2ccc(Cl)cc21 ZINC000587458570 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(/C=C\C(=O)O)=COc2ccc(Cl)cc21 ZINC000587458571 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(/C=C/C(=O)O)=COc2ccc(Cl)cc21 ZINC000587458572 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CCCNC(C)=O)cc1)CC2=O ZINC000587458628 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CCCNC(C)=O)cc1)CC2=O ZINC000587458632 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(C(C)(C)N1CCOCC1)CC2=O ZINC000587458633 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(C(C)(C)N1CCOCC1)CC2=O ZINC000587458635 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1coc3cc(Br)ccc3c1=O)CC2=O ZINC000587458755 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1coc3cc(Br)ccc3c1=O)CC2=O ZINC000587458756 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3cccc(Br)c3)c1)CC2=O ZINC000587458785 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3cccc(Br)c3)c1)CC2=O ZINC000587458788 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(O[C@H](C)C(=O)O)c(OCC)c1)CC2=O ZINC000587458814 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(O[C@@H](C)C(=O)O)c(OCC)c1)CC2=O ZINC000587458851 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(O[C@H](C)C(=O)O)c(OCC)c1)CC2=O ZINC000587458852 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(O[C@@H](C)C(=O)O)c(OCC)c1)CC2=O ZINC000587458853 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)ccc1NC(C)=O)CC2=O ZINC000587458994 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)ccc1NC(C)=O)CC2=O ZINC000587458996 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(CCNC(C)=O)cc1)([C@H](C)Cl)CC2=O ZINC000587459053 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(CCNC(C)=O)cc1)([C@@H](C)Cl)CC2=O ZINC000587459057 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(CCNC(C)=O)cc1)([C@H](C)Cl)CC2=O ZINC000587459060 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(CCNC(C)=O)cc1)([C@@H](C)Cl)CC2=O ZINC000587459064 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(Br)[nH]1)CC2=O ZINC000587459315 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(Br)[nH]1)CC2=O ZINC000587459316 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccc(Br)cc3)c1)CC2=O ZINC000587459397 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccc(Br)cc3)c1)CC2=O ZINC000587459398 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(Br)cc1[N+](=O)[O-])CC2=O ZINC000587459425 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(Br)cc1[N+](=O)[O-])CC2=O ZINC000587459426 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(Br)c(Cl)cc21 ZINC000587459431 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(Br)c(Cl)cc21 ZINC000587459432 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Br)c([N+](=O)[O-])cc31)CC2=O ZINC000587459459 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CCc3cc(Br)c([N+](=O)[O-])cc31)CC2=O ZINC000587459462 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCC)c2ccc(Br)cc21 ZINC000587459507 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCC)c2ccc(Br)cc21 ZINC000587459511 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nnn(Cc3ccc(Cl)cc3)c1C)CC2=O ZINC000587459529 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nnn(Cc3ccc(Cl)cc3)c1C)CC2=O ZINC000587459531 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ncc(Br)cc1Br)CC2=O ZINC000587459619 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ncc(Br)cc1Br)CC2=O ZINC000587459620 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)cc3nc(N)oc13)CC2=O ZINC000587459943 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)cc3nc(N)oc13)CC2=O ZINC000587459952 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1nccn1C)CC2=O ZINC000587459992 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1nccn1C)CC2=O ZINC000587459993 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3cc(Br)cn3)cc1)CC2=O ZINC000587460116 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(N(C)C)n(-c3ccccc3)c1Cl)CC2=O ZINC000587460117 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3cc(Br)cn3)cc1)CC2=O ZINC000587460118 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(N(C)C)n(-c3ccccc3)c1Cl)CC2=O ZINC000587460123 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3cc(Cl)cn3)c1)CC2=O ZINC000587460183 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3cc(Cl)cn3)c1)CC2=O ZINC000587460186 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@@H](C)CC(=O)O)CC2=O ZINC000587460236 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@H](C)CC(=O)O)CC2=O ZINC000587460250 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@H](C)CC(=O)O)CC2=O ZINC000587460254 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@@H](C)CC(=O)O)CC2=O ZINC000587460257 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(CCC(=O)O)=COc2ccc(Cl)cc21 ZINC000587460301 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(CCC(=O)O)=COc2ccc(Cl)cc21 ZINC000587460303 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)Oc3c(Cl)cc(Cl)cc31)CC2=O ZINC000587460323 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)Oc3c(Cl)cc(Cl)cc31)CC2=O ZINC000587460329 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1c(Cl)cccc1[N+](=O)[O-])CC2=O ZINC000587460338 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1c(Cl)cccc1[N+](=O)[O-])CC2=O ZINC000587460340 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Br)cc(Cl)cc21 ZINC000587460598 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Br)cc(Cl)cc21 ZINC000587460600 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1[nH]c(C)c(C(=O)OCC)c1C)([C@@H](C)Cl)CC2=O ZINC000587460602 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1[nH]c(C)c(C(=O)OCC)c1C)([C@H](C)Cl)CC2=O ZINC000587460606 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1[nH]c(C)c(C(=O)OCC)c1C)([C@H](C)Cl)CC2=O ZINC000587460608 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1[nH]c(C)c(C(=O)OCC)c1C)([C@@H](C)Cl)CC2=O ZINC000587460610 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCN3C(C)=O)([C@H](C)Cl)CC2=O ZINC000587460671 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCN3C(C)=O)([C@@H](C)Cl)CC2=O ZINC000587460672 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCN3C(C)=O)([C@H](C)Cl)CC2=O ZINC000587460674 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCN3C(C)=O)([C@@H](C)Cl)CC2=O ZINC000587460675 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)O)[nH]c3ccc(Br)cc13)CC2=O ZINC000587460683 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCN3C(=O)CC)CC2=O ZINC000587460687 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)O)[nH]c3ccc(Br)cc13)CC2=O ZINC000587460688 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCN3C(=O)CC)CC2=O ZINC000587460696 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OC)nn(-c3ccccc3)c1Cl)CC2=O ZINC000587460867 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OC)nn(-c3ccccc3)c1Cl)CC2=O ZINC000587460875 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(N)=O)c1)CC2=O ZINC000587460939 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(N)=O)c1)CC2=O ZINC000587460941 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cc(OC)c(Cl)cc1OC)CC2=O ZINC000587461150 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cc(OC)c(Cl)cc1OC)CC2=O ZINC000587461151 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1c[nH]c3ccc(C(=O)OC)cc13)CC2=O ZINC000587461180 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1c[nH]c3ccc(C(=O)OC)cc13)CC2=O ZINC000587461181 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCn3ccnc3)c(Cl)c1)CC2=O ZINC000587461473 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCn3ccnc3)c(Cl)c1)CC2=O ZINC000587461476 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C(F)(F)C(=O)OCC)=COc2ccccc21 ZINC000587461559 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C(F)(F)C(=O)OCC)=COc2ccccc21 ZINC000587461568 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ccc(Br)cc3c1=N)CC2=O ZINC000587461737 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ccc(Br)cc3c1=N)CC2=O ZINC000587461738 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1c(C(=O)OC)c(C)n(C3CC3)c1C)CC2=O ZINC000587461848 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1c(C(=O)OC)c(C)n(C3CC3)c1C)CC2=O ZINC000587461849 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=C(CO)OC=C1OCc1ccccc1Cl)CC2=O ZINC000587461988 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(CO)OC=C1OCc1ccccc1Cl)CC2=O ZINC000587462002 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)([C@@H](C#N)c1ccc(Cl)cc1)CC2=O ZINC000587462025 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@](C(=O)OCC)([C@H](C#N)c1ccc(Cl)cc1)CC2=O ZINC000587462033 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@](C(=O)OCC)([C@@H](C#N)c1ccc(Cl)cc1)CC2=O ZINC000587462038 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)([C@H](C#N)c1ccc(Cl)cc1)CC2=O ZINC000587462041 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)C[C@H](C)N3C(C)=O)CC2=O ZINC000587462322 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)C[C@@H](C)N3C(C)=O)CC2=O ZINC000587462323 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)C[C@H](C)N3C(C)=O)CC2=O ZINC000587462324 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)C[C@@H](C)N3C(C)=O)CC2=O ZINC000587462325 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2=O ZINC000587462330 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H](NC(=O)OC(C)(C)C)C(C)C)CC2=O ZINC000587462331 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCCC(=O)OC)c1C)CC2=O ZINC000587462338 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCCC(=O)OC)c1C)CC2=O ZINC000587462339 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)CC(F)(F)F)cc1)CC2=O ZINC000587462449 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)CC(F)(F)F)cc1)CC2=O ZINC000587462453 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC2=O ZINC000587462909 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC2=O ZINC000587462915 IJ Annotated Bother CCCc1c(O)ccc2c1OC1(CC2=O)CC(CNC(=O)OC(C)(C)C)(C(F)(F)F)C1 ZINC000587463006 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(CC)CC3)cc1Cl)CC2=O ZINC000587463199 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Cl)ccc2Oc2nc(N)c(C#N)cc21 ZINC000587463264 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Cl)ccc2Oc2nc(N)c(C#N)cc21 ZINC000587463265 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(CC)CC3)cc1Cl)CC2=O ZINC000587463402 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)CC2=O ZINC000587463720 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)CC2=O ZINC000587463721 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3ccc(Cl)cc3)c1O)CC2=O ZINC000587463731 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3ccc(Cl)cc3)c1O)CC2=O ZINC000587463732 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C(F)(F)F)cc(Cl)cc21 ZINC000587463796 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C(F)(F)F)cc(Cl)cc21 ZINC000587463800 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C#N)C(=O)Nc1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464151 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@@H](C#N)C(=O)Nc1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464152 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@H](C#N)C(=O)Nc1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464153 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@H](C#N)C(=O)Nc1ccc(C(F)(F)F)cc1)CC2=O ZINC000587464154 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(Cc1cccc(C(F)(F)F)c1)CC2=O ZINC000587464266 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(Cc1cccc(C(F)(F)F)c1)CC2=O ZINC000587464267 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3cccc(C(F)(F)F)c3)nn1)CC2=O ZINC000587464435 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3cccc(C(F)(F)F)c3)nn1)CC2=O ZINC000587464436 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)ccc1N(C)CC(=O)O)CC2=O ZINC000587464539 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)ccc1N(C)CC(=O)O)CC2=O ZINC000587464540 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cn(Cc3cccc(C(F)(F)F)c3)nn1)CC2=O ZINC000587464596 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cn(Cc3cccc(C(F)(F)F)c3)nn1)CC2=O ZINC000587464597 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(F)c(F)c(C)c1F)CC2=O ZINC000587465342 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(F)c(F)c(C)c1F)CC2=O ZINC000587465343 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCN(CC)CC3)c(F)c1)CC2=O ZINC000587465783 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCN(CC)CC3)c(F)c1)CC2=O ZINC000587465798 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)CC2=O ZINC000587465864 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)CC2=O ZINC000587465866 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](CSc1nncs1)(c1ccc(F)cc1)CC2=O ZINC000587466220 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1nncs1)(c1ccc(F)cc1)CC2=O ZINC000587466223 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(F)c(F)c(F)c1F)CC2=O ZINC000587466463 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(F)c(F)c(F)c1F)CC2=O ZINC000587466480 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3[nH]cc(I)c3c1)CC2=O ZINC000587466569 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc3[nH]cc(I)c3c1)CC2=O ZINC000587466570 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1F)(C1CCN(C(C)=O)CC1)CC2=O ZINC000587466614 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1F)(C1CCN(C(C)=O)CC1)CC2=O ZINC000587466619 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(I)ccc31)CC2=O ZINC000587466723 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3cc(I)ccc31)CC2=O ZINC000587466735 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)CC2=O ZINC000587466920 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)CC2=O ZINC000587466921 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)CC2=O ZINC000587466922 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F)CC2=O ZINC000587466923 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC2=O ZINC000587466949 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC2=O ZINC000587466950 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccc(N(CC)C(C)=O)c1)CC2=O ZINC000587467134 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccc(N(CC)C(C)=O)c1)CC2=O ZINC000587467135 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1conc1C(=O)OCC)CC2=O ZINC000587467162 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1conc1C(=O)OCC)CC2=O ZINC000587467164 IJ Annotated Anodyne C#CCNC(=O)c1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587467653 IJ Annotated Mild C#CCNC(=O)c1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587467655 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1c(Cl)ccc(F)c1Cl)CC2=O ZINC000587467998 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1c(Cl)ccc(F)c1Cl)CC2=O ZINC000587468000 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3[nH]nc(I)c3c1)CC2=O ZINC000587468060 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3[nH]nc(I)c3c1)CC2=O ZINC000587468065 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC(=O)c1ccccc1N)(c1ccccc1)CC2=O ZINC000587468127 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC(=O)c1ccccc1N)(c1ccccc1)CC2=O ZINC000587468128 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(C#N)c(N)nc2Oc2c(C)cc(C)cc21 ZINC000587468161 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C#N)c(N)nc2Oc2c(C)cc(C)cc21 ZINC000587468162 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cccc3c(I)n[nH]c13)CC2=O ZINC000587468211 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3c(I)n[nH]c13)CC2=O ZINC000587468214 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(I)s1)CC2=O ZINC000587468227 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(I)s1)CC2=O ZINC000587468233 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(CCCOCCOC)c1F)CC2=O ZINC000587468389 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(CCCOCCOC)c1F)CC2=O ZINC000587468422 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc([N+](=O)[O-])ccc2-c2c(C(=O)O)cccc21 ZINC000587468751 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc([N+](=O)[O-])ccc2-c2c(C(=O)O)cccc21 ZINC000587468754 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(N)cc1)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587468904 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(N)cc1)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587468906 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C/C1=C\N(C)C)CC2=O ZINC000587469114 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C/C1=C/N(C)C)CC2=O ZINC000587469115 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C/C1=C/N(C)C)CC2=O ZINC000587469116 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C/C1=C\N(C)C)CC2=O ZINC000587469117 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccc3[nH]c(=N)[nH]c3c1)CC2=O ZINC000587469165 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccc3[nH]c(=N)[nH]c3c1)CC2=O ZINC000587469166 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(I)=COc2ccccc21 ZINC000587469210 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(I)=COc2ccccc21 ZINC000587469213 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc3[nH]nc(I)c13)CC2=O ZINC000587469293 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)O)cc1)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587469295 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cccc3[nH]nc(I)c13)CC2=O ZINC000587469296 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)O)cc1)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587469299 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccccc2F)c2ccccc21 ZINC000587469409 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccccc2F)c2ccccc21 ZINC000587469411 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)Nc1cccc(OC)c1)(c1cccnc1)CC2=O ZINC000587469511 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)Nc1cccc(OC)c1)(c1cccnc1)CC2=O ZINC000587469512 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(I)c(F)c1F)CC2=O ZINC000587469543 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(I)c(F)c1F)CC2=O ZINC000587469548 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NC)ccc(NC)c21 ZINC000587469603 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NC)ccc(NC)c21 ZINC000587469608 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(I)cc1F)CC2=O ZINC000587469665 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(I)cc1F)CC2=O ZINC000587469666 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C#N)cc1)([C@@H]1CC[C@@H](C(=O)O)CC1)CC2=O ZINC000587469687 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(C#N)cc1)([C@@H]1CC[C@@H](C(=O)O)CC1)CC2=O ZINC000587469695 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(I)cc1F)CC2=O ZINC000587469755 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(I)cc1F)CC2=O ZINC000587469757 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(I)cc31)CC2=O ZINC000587469776 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(I)cc31)CC2=O ZINC000587469777 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c([N+](=O)[O-])cccc21 ZINC000587469797 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c([N+](=O)[O-])cccc21 ZINC000587469798 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cc(/C=C/C(=O)O)n(C)c1)CC2=O ZINC000587469845 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cc(/C=C/C(=O)O)n(C)c1)CC2=O ZINC000587469846 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cc(/C=C\C(=O)O)n(C)c1)CC2=O ZINC000587469847 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cc(/C=C\C(=O)O)n(C)c1)CC2=O ZINC000587469848 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(I)ccc1F)CC2=O ZINC000587470085 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(I)ccc1F)CC2=O ZINC000587470086 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(I)c1F)CC2=O ZINC000587470265 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(I)c1F)CC2=O ZINC000587470267 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc([N+](=O)[O-])cn3ccnc13)CC2=O ZINC000587470527 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc([N+](=O)[O-])cn3ccnc13)CC2=O ZINC000587470528 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](C(=O)N(CC)CC)(c1cn(C)c3ccccc13)CC2=O ZINC000587470543 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)N(CC)CC)(c1cn(C)c3ccccc13)CC2=O ZINC000587470544 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(OCC(=O)O)cc3)c1C)CC2=O ZINC000587470555 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(OCC(=O)O)cc3)c1C)CC2=O ZINC000587470556 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1ccc3c(I)n[nH]c3c1)CC2=O ZINC000587470612 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(I)n[nH]c3c1)CC2=O ZINC000587470613 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c(I)cccc31)CC2=O ZINC000587470654 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c(I)cccc31)CC2=O ZINC000587470655 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccc(CC(=O)O)n1C)CC2=O ZINC000587470795 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccc(CC(=O)O)n1C)CC2=O ZINC000587470796 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(NC(=O)OC(C)(C)C)cncc1OC)CC2=O ZINC000587471015 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(NC(=O)OC(C)(C)C)cncc1OC)CC2=O ZINC000587471018 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCn1nc([N+](=O)[O-])cc1C)CC2=O ZINC000587471199 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCn1nc([N+](=O)[O-])cc1C)CC2=O ZINC000587471201 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(I)ccnc1Cl)CC2=O ZINC000587471339 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn1C)CC2=O ZINC000587471340 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn1C)CC2=O ZINC000587471343 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(I)ccnc1Cl)CC2=O ZINC000587471345 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc([N+](=O)[O-])c21 ZINC000587471456 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc([N+](=O)[O-])c21 ZINC000587471457 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cccc(OCn3nc([N+](=O)[O-])cc3C)c1)CC2=O ZINC000587471505 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCn3nc([N+](=O)[O-])cc3C)c1)CC2=O ZINC000587471506 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(CNC(=O)OC(C)(C)C)nc1C)CC2=O ZINC000587471577 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(CNC(=O)OC(C)(C)C)nc1C)CC2=O ZINC000587471578 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1I)CC2=O ZINC000587471723 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1I)CC2=O ZINC000587471724 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)CC2=O ZINC000587471841 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)CC2=O ZINC000587471842 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)CC2=O ZINC000587471843 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](CNC(=O)OC(C)(C)C)CC1CCOCC1)CC2=O ZINC000587471844 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC)cncc1C(=O)Nc1ccccc1)CC2=O ZINC000587471881 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cncc1C(=O)Nc1ccccc1)CC2=O ZINC000587471882 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)cccc1I)CC2=O ZINC000587471961 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)cccc1I)CC2=O ZINC000587471962 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)ccc1I)CC2=O ZINC000587471975 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)ccc1I)CC2=O ZINC000587471976 IJ Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCC(C(=O)OC)(c3ccc(F)cc3)CC1)CC2=O ZINC000587472049 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OCC)n1C(=O)OC(C)(C)C)CC2=O ZINC000587472094 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OCC)n1C(=O)OC(C)(C)C)CC2=O ZINC000587472095 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(/C=C/C(=O)O)n(C)c1)CC2=O ZINC000587472096 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(/C=C\C(=O)O)n(C)c1)CC2=O ZINC000587472097 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(/C=C/C(=O)O)n(C)c1)CC2=O ZINC000587472098 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(/C=C\C(=O)O)n(C)c1)CC2=O ZINC000587472099 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCn3nc([N+](=O)[O-])cc3C)cc1)CC2=O ZINC000587472243 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCn3nc([N+](=O)[O-])cc3C)cc1)CC2=O ZINC000587472244 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(I)ccc1OC)CC2=O ZINC000587472461 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(I)ccc1OC)CC2=O ZINC000587472462 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC(=O)c1ccc(N)cc1)(c1ccccc1)CC2=O ZINC000587472584 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC(=O)c1ccc(N)cc1)(c1ccccc1)CC2=O ZINC000587472585 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ccc1I)CC2=O ZINC000587472630 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ccc1I)CC2=O ZINC000587472631 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(I)ccc1F)CC2=O ZINC000587472644 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(I)ccc1F)CC2=O ZINC000587472645 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccccc1I)CC2=O ZINC000587472673 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccccc1I)CC2=O ZINC000587472674 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cc(O)c(O)c([N+](=O)[O-])c1)CC2=O ZINC000587472710 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cc(O)c(O)c([N+](=O)[O-])c1)CC2=O ZINC000587472711 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@](c1cccc(N)c1)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587472748 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(N)c1)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587472749 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1cccc(I)c1)CC2=O ZINC000587472833 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cccc(I)c1)CC2=O ZINC000587472835 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C\c2ccccc2[N+](=O)[O-])N2CCC1CC2 ZINC000587472940 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C/c2ccccc2[N+](=O)[O-])N2CCC1CC2 ZINC000587472941 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C/c2ccccc2[N+](=O)[O-])N2CCC1CC2 ZINC000587472943 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C\c2ccccc2[N+](=O)[O-])N2CCC1CC2 ZINC000587472945 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cccc(F)c1I)CC2=O ZINC000587473153 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(F)c1I)CC2=O ZINC000587473155 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(I)cccc1OC)CC2=O ZINC000587473245 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(I)cccc1OC)CC2=O ZINC000587473247 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(c1ccc(I)cc1)CC2=O ZINC000587473291 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1ccc(I)cc1)CC2=O ZINC000587473292 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(I)c1)CC2=O ZINC000587473303 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(I)c1)CC2=O ZINC000587473304 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(N)c1)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587473578 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(N)c1)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587473579 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3noc(CN4CCCC4)n3)cc1)CC2=O ZINC000587473760 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3noc(CN4CCCC4)n3)cc1)CC2=O ZINC000587473764 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(=O)N1CCC(C)CC1)CC2=O ZINC000587473776 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(=O)N1CCC(C)CC1)CC2=O ZINC000587473778 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC(C(=O)OCC)CC3)cc1)CC2=O ZINC000587474209 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC(C(=O)OCC)CC3)cc1)CC2=O ZINC000587474210 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cn(C)nc1C)CC2=O ZINC000587474422 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cn(C)nc1C)CC2=O ZINC000587474423 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1nnn(-c3cccc4ncccc34)c1C)CC2=O ZINC000587474499 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1nnn(-c3cccc4ncccc34)c1C)CC2=O ZINC000587474500 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(C)cc3nc1N1CCOCC1)CC2=O ZINC000587474539 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(C)cc3nc1N1CCOCC1)CC2=O ZINC000587474544 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c(C)nn(-c3ccccc3)c1C)CC2=O ZINC000587474775 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c(C)nn(-c3ccccc3)c1C)CC2=O ZINC000587474779 IJ Annotated Anodyne CCCCN1CC2CN(CCCC)CC(C1)C21CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587474831 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc3c(cc1C)N(C(=O)C(C)(C)C)CCO3)CC2=O ZINC000587474846 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc3c(cc1C)N(C(=O)C(C)(C)C)CCO3)CC2=O ZINC000587474847 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@]13CCN(C(=O)OCc1ccccc1)C3)CC2=O ZINC000587475187 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@]13CCN(C(=O)OCc1ccccc1)C3)CC2=O ZINC000587475190 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@]13CCN(C(=O)OCc1ccccc1)C3)CC2=O ZINC000587475192 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]13CCN(C(=O)OCc1ccccc1)C3)CC2=O ZINC000587475194 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC#N)nc1-c1ccc(OC)cc1)CC2=O ZINC000587475336 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cn(CCC#N)nc1-c1ccc(OC)cc1)CC2=O ZINC000587475337 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cc(-n4cccn4)ncn3)cc1)CC2=O ZINC000587475840 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cc(-n4cccn4)ncn3)cc1)CC2=O ZINC000587475842 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587476057 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587476058 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1-c1ccc3c(c1)OCCCO3)CC2=O ZINC000587476165 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1-c1ccc3c(c1)OCCCO3)CC2=O ZINC000587476171 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)CC13CC3)CC2=O ZINC000587476523 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)CC13CC3)CC2=O ZINC000587476525 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587476628 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587476631 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(CCC(=O)c1ccc(OC)cc1)CC2=O ZINC000587476912 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(CCC(=O)c1ccc(OC)cc1)CC2=O ZINC000587476919 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC#N)nc1-c1ccc3c(c1)OCO3)CC2=O ZINC000587476972 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cn(CCC#N)nc1-c1ccc3c(c1)OCO3)CC2=O ZINC000587476975 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](CCN1CCOCC1)(c1cc3ccccc3o1)CC2=O ZINC000587477419 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCN1CCOCC1)(c1cc3ccccc3o1)CC2=O ZINC000587477422 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)N3CCCC3)c3ccccc13)CC2=O ZINC000587477430 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)N3CCCC3)c3ccccc13)CC2=O ZINC000587477432 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(O)cc1)(c1ccc(OC)cc1OC)CC2=O ZINC000587477642 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(O)cc1)(c1ccc(OC)cc1OC)CC2=O ZINC000587477648 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1cccc3ccccc13)CC2=O ZINC000587477653 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1cccc3ccccc13)CC2=O ZINC000587477655 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)O)cc1)(c1cccc(OC)c1)CC2=O ZINC000587477834 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)O)cc1)(c1cccc(OC)c1)CC2=O ZINC000587477836 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(=O)N3CCCCC3)cc1)CC2=O ZINC000587478035 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)N3CCCCC3)cc1)CC2=O ZINC000587478038 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCC(C)CC3)cc1)CC2=O ZINC000587478087 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3CCC(C)CC3)cc1)CC2=O ZINC000587478088 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OCC(=O)O)cc1)CC2=O ZINC000587478315 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OCC(=O)O)cc1)CC2=O ZINC000587478353 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccccc2)Oc2ccc(OC)cc21 ZINC000587478506 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccccc2)Oc2ccc(OC)cc21 ZINC000587478516 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccccc2)Oc2ccc(OC)cc21 ZINC000587478521 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccccc2)Oc2ccc(OC)cc21 ZINC000587478528 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccccc2)Oc2cc(OC)ccc21 ZINC000587478756 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccccc2)Oc2cc(OC)ccc21 ZINC000587478764 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccccc2)Oc2cc(OC)ccc21 ZINC000587478769 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cnn(C)c1C)CC2=O ZINC000587479034 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cnn(C)c1C)CC2=O ZINC000587479036 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ncccn3)c3ccc(OC)cc13)CC2=O ZINC000587479078 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ncccn3)c3ccc(OC)cc13)CC2=O ZINC000587479079 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccccc3)c1N=CN(C)C)CC2=O ZINC000587479100 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccccc3)c1N=CN(C)C)CC2=O ZINC000587479101 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCCC(=O)OCC)cc1)CC2=O ZINC000587479423 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCCC(=O)OCC)cc1)CC2=O ZINC000587479427 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccccc2)Oc2cc(OC)ccc21 ZINC000587479444 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC#N)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587479799 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587479803 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587479806 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587479809 IJ Annotated Mild CCCc1c(O)ccc2c1OC1(CCC(CN3C(=O)c4ccccc4C3=O)CC1)CC2=O ZINC000587479932 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCc3c(C(=O)O)noc3C)c1)CC2=O ZINC000587480101 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCc3c(C(=O)O)noc3C)c1)CC2=O ZINC000587480106 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(O)cc1)(c1ccccc1C(=O)OC)CC2=O ZINC000587480114 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(O)cc1)(c1ccccc1C(=O)OC)CC2=O ZINC000587480117 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C1)CC2=O ZINC000587480939 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C1)CC2=O ZINC000587480945 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C1)CC2=O ZINC000587480951 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C1)CC2=O ZINC000587480955 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1 ZINC000587481281 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2O[C@@H]1c1ccc(O)cc1 ZINC000587481283 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc31)CC2=O ZINC000587481284 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1 ZINC000587481285 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc31)CC2=O ZINC000587481286 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccccc2O[C@H]1c1ccc(O)cc1 ZINC000587481287 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(S(C)(=O)=O)c1)CC2=O ZINC000587481291 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(S(C)(=O)=O)c1)CC2=O ZINC000587481294 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(CC(=O)O)ccc2COc2ccccc21 ZINC000587481307 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(CC(=O)O)ccc2COc2ccccc21 ZINC000587481308 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ccc(S(C)(=O)=O)cc3)n1)CC2=O ZINC000587481351 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ccc(S(C)(=O)=O)cc3)n1)CC2=O ZINC000587481356 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(OCC)c(C)c1)CC2=O ZINC000587481628 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(OCC)c(C)c1)CC2=O ZINC000587481633 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c1)CC2=O ZINC000587481944 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c1)CC2=O ZINC000587481946 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c1)CC2=O ZINC000587481947 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c1)CC2=O ZINC000587481948 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCN1C[C@H](C)O[C@H](C)C1)CC2=O ZINC000587482007 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCN1C[C@H](C)O[C@H](C)C1)CC2=O ZINC000587482009 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCN1C[C@@H](C)O[C@H](C)C1)CC2=O ZINC000587482012 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCN1C[C@H](C)O[C@@H](C)C1)CC2=O ZINC000587482015 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OC)cc1C1CCOCC1)CC2=O ZINC000587482172 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OC)cc1C1CCOCC1)CC2=O ZINC000587482175 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OCC)c(OCC)c1)CC2=O ZINC000587482392 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OCC)c(OCC)c1)CC2=O ZINC000587482398 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(OCC(=O)OC)cc1)CC2=O ZINC000587482547 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(OCC(=O)OC)cc1)CC2=O ZINC000587482560 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccn1S(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587482746 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccn1S(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587482772 IJ Annotated Anodyne CCCc1c(O)ccc2c1OC(CC(=O)OC(C)(C)C)(CC(=O)OC(C)(C)C)CC2=O ZINC000587482816 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1ccccc1)(CP(=O)(OC)OC)CC2=O ZINC000587482927 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1ccccc1)(CP(=O)(OC)OC)CC2=O ZINC000587482929 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)([C@H](CC)C(=O)OCC)CC2=O ZINC000587482991 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)([C@@H](CC)C(=O)OCC)CC2=O ZINC000587482993 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)([C@@H](CC)C(=O)OCC)CC2=O ZINC000587482995 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)([C@H](CC)C(=O)OCC)CC2=O ZINC000587482997 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(O)c(C)c(O)c21 ZINC000587483053 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(O)c(C)c(O)c21 ZINC000587483054 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@H](O)c1ccc(OC)cc1)CC2=O ZINC000587483120 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@@H](O)c1ccc(OC)cc1)CC2=O ZINC000587483123 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@@H](O)c1ccc(OC)cc1)CC2=O ZINC000587483125 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@H](O)c1ccc(OC)cc1)CC2=O ZINC000587483127 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1c(C)cc(C)cc1C)CC2=O ZINC000587483321 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1c(C)cc(C)cc1C)CC2=O ZINC000587483326 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2[nH]c(C(=O)OCC)c(C)c21 ZINC000587483411 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2[nH]c(C(=O)OCC)c(C)c21 ZINC000587483422 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(CC)ccc1OC)CC2=O ZINC000587484047 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(CC)ccc1OC)CC2=O ZINC000587484053 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1cc(O)c(C)c2O ZINC000587484055 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1cc(O)c(C)c2O ZINC000587484063 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 ZINC000587484258 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 ZINC000587484261 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(OC)cc2)Oc2ccccc21 ZINC000587484639 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(OC)cc2)Oc2ccccc21 ZINC000587484640 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(OC)cc2)Oc2ccccc21 ZINC000587484641 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(OC)cc2)Oc2ccccc21 ZINC000587484642 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(CN3CCCC3)c(C#N)c3ccccn13)CC2=O ZINC000587484768 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(CN3CCCC3)c(C#N)c3ccccn13)CC2=O ZINC000587484779 IJ Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)C3CCCC3)cc1)CC2=O ZINC000587484799 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)C3CCCC3)cc1)CC2=O ZINC000587484802 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(OC)ccc2Oc2cc(O)cc(O)c21 ZINC000587484806 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(OC)ccc2Oc2cc(O)cc(O)c21 ZINC000587484809 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3nc(NC(=O)OC)[nH]c3c1)(C1CC1)CC2=O ZINC000587484996 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc3nc(NC(=O)OC)[nH]c3c1)(C1CC1)CC2=O ZINC000587484998 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587485062 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1ccccc1C(=O)O)CC2=O ZINC000587485063 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C)cc3)nn3ccnc(O)c13)CC2=O ZINC000587485321 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C)cc3)nn3ccnc(O)c13)CC2=O ZINC000587485324 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cccc2C(=O)c2cc(C)cc(O)c21 ZINC000587485507 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)cccc2C(=O)c2cc(C)cc(O)c21 ZINC000587485508 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(O)cc2)Oc2ccccc21 ZINC000587485753 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(O)cc2)Oc2ccccc21 ZINC000587485760 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(O)cc2)Oc2ccccc21 ZINC000587485763 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(O)cc2)Oc2ccccc21 ZINC000587485767 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(S(=O)(=O)Cl)ccc1Cl)CC2=O ZINC000587485924 IJ Annotated Unstable CCCc1c(O)ccc2c1O[C@@](C)(c1cc(S(=O)(=O)Cl)ccc1Cl)CC2=O ZINC000587485927 IJ Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Cl)c(S(=O)(=O)Cl)cc31)CC2=O ZINC000587486139 IJ Annotated Unstable CCCc1c(O)ccc2c1O[C@]1(CCc3cc(Cl)c(S(=O)(=O)Cl)cc31)CC2=O ZINC000587486147 IJ Annotated Unstable CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3cccnc3)c(OC)c1)CC2=O ZINC000587486184 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3cccnc3)c(OC)c1)CC2=O ZINC000587486196 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3c(C(=O)O)noc3C)cc1)CC2=O ZINC000587486366 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3c(C(=O)O)noc3C)cc1)CC2=O ZINC000587486370 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc3ccccc3c1)CC2=O ZINC000587486730 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc3ccccc3c1)CC2=O ZINC000587486731 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2C1 ZINC000587486812 IJ Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2C1 ZINC000587486813 IJ Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2C1 ZINC000587486814 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1COC3(CCCCC3)N1C(=O)OC(C)(C)C)CC2=O ZINC000587486834 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1COC3(CCCCC3)N1C(=O)OC(C)(C)C)CC2=O ZINC000587486835 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1COC3(CCCCC3)N1C(=O)OC(C)(C)C)CC2=O ZINC000587486836 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1COC3(CCCCC3)N1C(=O)OC(C)(C)C)CC2=O ZINC000587486837 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587486935 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587486938 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N3)CC2=O ZINC000587487280 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N3)CC2=O ZINC000587487294 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)CC2=O ZINC000587487303 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N3)CC2=O ZINC000587487308 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)CC2=O ZINC000587487312 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)[C@H]1C=CC[C@H]1[C@@H](C(=O)O)N3)CC2=O ZINC000587487315 IJ Annotated Clean CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)c(S(=O)(=O)Cl)c1)CC2=O ZINC000587487540 IJ Annotated Unstable CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)c(S(=O)(=O)Cl)c1)CC2=O ZINC000587487545 IJ Annotated Unstable CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587487981 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587487982 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(OC)c2Oc2cc(O)cc(O)c21 ZINC000587488326 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(OC)c2Oc2cc(O)cc(O)c21 ZINC000587488329 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587488335 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587488339 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587488962 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587488963 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587488966 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587488969 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2ccccc2N(C(N)=O)c2ccccc21 ZINC000587489065 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2ccccc2N(C(N)=O)c2ccccc21 ZINC000587489071 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3n1CCN(C(=O)OC(C)(C)C)C3)CC2=O ZINC000587489629 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3n1CCN(C(=O)OC(C)(C)C)C3)CC2=O ZINC000587489640 IJ Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2ccccc2N(CC(=O)O)c2ccccc21 ZINC000587489789 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(S(C)(=O)=O)cc3)nc1)CC2=O ZINC000587489815 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(S(C)(=O)=O)cc3)nc1)CC2=O ZINC000587489820 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(S(=O)(=O)O)cc3)o1)CC2=O ZINC000587489917 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(S(=O)(=O)O)cc3)o1)CC2=O ZINC000587489919 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(C(=O)O)c(C(=O)O)c1)CC2=O ZINC000587490102 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(C(=O)O)c(C(=O)O)c1)CC2=O ZINC000587490107 IJ Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccc(C(=O)O)cc1)(c1ccc(C(=O)O)cc1)CC2=O ZINC000587490320 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCc1c(C)[nH]c3ccc(OC)cc3c1=O)CC2=O ZINC000587490882 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1c(C)[nH]c3ccc(OC)cc3c1=O)CC2=O ZINC000587490884 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(S)nc3ccccc13)(c1nccn1C)CC2=O ZINC000587491142 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(S)nc3ccccc13)(c1nccn1C)CC2=O ZINC000587491143 IJ Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2cc(C(=O)O)ccc2-c2ccc(C(=O)O)cc21 ZINC000587491390 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC3OCCO3)cc1)(C1CCC1)CC2=O ZINC000587491592 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OCC3OCCO3)cc1)(C1CCC1)CC2=O ZINC000587491594 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)cc3)nc3ncccn13)CC2=O ZINC000587492081 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)cc3)nc3ncccn13)CC2=O ZINC000587492082 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(O)cc2)=COc2cc(O)cc(O)c21 ZINC000587492461 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(O)cc2)=COc2cc(O)cc(O)c21 ZINC000587492462 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1NC(=O)c3c(-c4ccccc4)csc3N1)CC2=O ZINC000587492491 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1NC(=O)c3c(-c4ccccc4)csc3N1)CC2=O ZINC000587492492 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1NC(=O)c3c(-c4ccccc4)csc3N1)CC2=O ZINC000587492494 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1NC(=O)c3c(-c4ccccc4)csc3N1)CC2=O ZINC000587492495 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(O)cc2OC[C@H]1c1ccc(O)cc1 ZINC000587492500 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(O)cc2OC[C@H]1c1ccc(O)cc1 ZINC000587492501 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(O)cc2OC[C@@H]1c1ccc(O)cc1 ZINC000587492504 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(O)cc2OC[C@@H]1c1ccc(O)cc1 ZINC000587492508 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc3c(c1C)C(=O)N/C(=C\Cl)N3)CC2=O ZINC000587492738 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc3c(c1C)C(=O)N/C(=C/Cl)N3)CC2=O ZINC000587492743 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc3c(c1C)C(=O)N/C(=C/Cl)N3)CC2=O ZINC000587492748 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1sc3c(c1C)C(=O)N/C(=C\Cl)N3)CC2=O ZINC000587492752 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccs1)(c1sc(C)nc1C(=O)O)CC2=O ZINC000587492905 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3ccncc3)c(OC)c1)CC2=O ZINC000587492909 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)(c1sc(C)nc1C(=O)O)CC2=O ZINC000587492910 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3ccncc3)c(OC)c1)CC2=O ZINC000587492911 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2COc2ccc(CC(=O)O)cc21 ZINC000587493660 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2COc2ccc(CC(=O)O)cc21 ZINC000587493664 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(C(=O)OC)cc1Br)CC2=O ZINC000587493948 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(C(=O)OC)cc1Br)CC2=O ZINC000587493949 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(=O)n(Cc3ccccc3)c1Cl)CC2=O ZINC000587494130 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(=O)n(Cc3ccccc3)c1Cl)CC2=O ZINC000587494132 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)CCC(=O)O)(c1ccc(C)s1)CC2=O ZINC000587494313 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)CCC(=O)O)(c1ccc(C)s1)CC2=O ZINC000587494314 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(Br)s1)CC2=O ZINC000587494489 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(Br)s1)CC2=O ZINC000587494490 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(Br)s1)CC2=O ZINC000587494502 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(Br)s1)CC2=O ZINC000587494504 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(O)cc2OC(=O)[C@H]1c1ccccc1 ZINC000587494702 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(O)cc2OC(=O)[C@@H]1c1ccccc1 ZINC000587494704 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(O)cc2OC(=O)[C@@H]1c1ccccc1 ZINC000587494705 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(O)cc2OC(=O)[C@H]1c1ccccc1 ZINC000587494707 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ncccn3)c([N+](=O)[O-])c1)CC2=O ZINC000587494753 IJ Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ncccn3)c([N+](=O)[O-])c1)CC2=O ZINC000587494757 IJ Annotated Bother O=C1C[C@H](c2ccc(N3CCOCC3)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587494827 IJ Annotated Anodyne O=C1C[C@@H](c2ccc(N3CCOCC3)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587494832 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(Br)c3c1OCCO3)CC2=O ZINC000587495046 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(Br)c3c1OCCO3)CC2=O ZINC000587495050 IJ Annotated Anodyne O=C1C[C@H](c2cc(Br)ccc2N2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587495126 IJ Annotated Anodyne O=C1C[C@@H](c2cc(Br)ccc2N2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587495132 IJ Annotated Anodyne CCCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587495368 IJ Annotated Anodyne CCCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587495369 IJ Annotated Anodyne C[C@]1(c2cc3c(cc2Br)NC(=O)CO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495375 IJ Annotated Anodyne C[C@@]1(c2cc3c(cc2Br)NC(=O)CO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495380 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587495582 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Cl)cc(Br)cc12 ZINC000587495586 IJ Annotated Anodyne O=C1C[C@H](c2c(Br)cnn2[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587495666 IJ Annotated Anodyne O=C1C[C@@H](c2c(Br)cnn2[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587495669 IJ Annotated Anodyne O=C1C[C@@H](c2c(Br)cnn2[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587495671 IJ Annotated Anodyne O=C1C[C@H](c2c(Br)cnn2[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587495673 IJ Annotated Anodyne C=CCNc1nc(N)c([C@]2(c3ccc(C)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)s1 ZINC000587495849 IJ Annotated Mild C=CCNc1nc(N)c([C@@]2(c3ccc(C)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)s1 ZINC000587495852 IJ Annotated Mild O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587495912 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(Br)c(Cl)cc12 ZINC000587495915 IJ Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H]2Br ZINC000587495937 IJ Annotated Reactive O=C1C[C@H](c2ccc(N3CCOCC3)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587495939 IJ Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br ZINC000587495940 IJ Annotated Reactive O=C1C[C@@H](c2ccc(N3CCOCC3)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587495941 IJ Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H]2Br ZINC000587495942 IJ Annotated Reactive CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2Br ZINC000587495944 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCc2scnc2C)c2ccccc21 ZINC000587495968 IJ Annotated Anodyne O=C(O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Br)cc2O1 ZINC000587495969 IJ Annotated Anodyne O=C(O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Br)cc2O1 ZINC000587495970 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCc2scnc2C)c2ccccc21 ZINC000587495973 IJ Annotated Anodyne CN(C)CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587496083 IJ Annotated Anodyne CN(C)CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587496084 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(CCC(=O)c1ccc(C)s1)CC2=O ZINC000587496418 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(CCC(=O)c1ccc(C)s1)CC2=O ZINC000587496420 IJ Annotated Anodyne COC(=O)CCn1c(C)cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587496537 IJ Annotated Reactive COC(=O)CCn1c(C)cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587496542 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@H](Br)CC(=O)O)CC2=O ZINC000587496638 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@H](Br)CC(=O)O)CC2=O ZINC000587496640 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@@H](Br)CC(=O)O)CC2=O ZINC000587496642 IJ Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@@H](Br)CC(=O)O)CC2=O ZINC000587496643 IJ Annotated Reactive CCc1cc(Br)cc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496682 IJ Annotated Anodyne CCc1cc(Br)cc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496683 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3sc(C(=O)OC)c(C)c3c1)CC2=O ZINC000587496807 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc3sc(C(=O)OC)c(C)c3c1)CC2=O ZINC000587496810 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(N)sc3c1CCOC3)CC2=O ZINC000587496821 IJ Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(N)sc3c1CCOC3)CC2=O ZINC000587496823 IJ Annotated Anodyne COc1cccc(OC)c1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496869 IJ Annotated Reactive COc1cccc(OC)c1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496870 IJ Annotated Reactive COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC#N ZINC000587497016 IJ Annotated Mild COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCC#N ZINC000587497017 IJ Annotated Mild O=C1C[C@H](c2nc(Br)cnc2Br)Oc2c1ccc1c2CCCC1 ZINC000587497121 IJ Annotated Anodyne O=C1C[C@@H](c2nc(Br)cnc2Br)Oc2c1ccc1c2CCCC1 ZINC000587497126 IJ Annotated Anodyne Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc(Br)c1Br ZINC000587497183 IJ Annotated Anodyne Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc(Br)c1Br ZINC000587497184 IJ Annotated Anodyne N#Cc1cc2c(nc1N)Oc1ccc(Cl)cc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497476 IJ Annotated Mild N#Cc1cc2c(nc1N)Oc1ccc(Cl)cc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497485 IJ Annotated Mild O=C1C[C@@H](c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)Oc2c1ccc1c2CCCC1 ZINC000587497737 IJ Annotated Anodyne O=C1C[C@H](c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)Oc2c1ccc1c2CCCC1 ZINC000587497741 IJ Annotated Anodyne C[C@]1(c2cc3c(o2)C(=O)C(Br)=CC3=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498123 IJ Annotated Mild C[C@@]1(c2cc3c(o2)C(=O)C(Br)=CC3=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498135 IJ Annotated Mild O=C(O)C[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498194 IJ Annotated Reactive O=C(O)C[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498214 IJ Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498216 IJ Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498218 IJ Annotated Reactive CC(=O)NCCCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498365 IJ Annotated Reactive CC(=O)NCCCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498366 IJ Annotated Reactive O=C1C[C@@H](c2c(Br)cccc2N2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587498409 IJ Annotated Anodyne O=C1C[C@H](c2c(Br)cccc2N2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587498410 IJ Annotated Anodyne O=C(O)C1=COc2ccc(Br)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587498488 IJ Annotated Anodyne O=C(O)C1=COc2ccc(Br)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587498491 IJ Annotated Anodyne CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587498573 IJ Annotated Anodyne CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587498574 IJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587498600 IJ Annotated Anodyne CCOC(=O)C(F)(F)C1=COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587498604 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587498675 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(Cl)c(Br)cc12 ZINC000587498677 IJ Annotated Anodyne CN(C)/C=C/[C@]1(c2cccc(Br)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498757 IJ Annotated Anodyne CN(C)/C=C/[C@@]1(c2cccc(Br)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498761 IJ Annotated Anodyne CN(C)/C=C\[C@@]1(c2cccc(Br)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498763 IJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498765 IJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498766 IJ Annotated Anodyne CC(=O)Nc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498849 IJ Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498851 IJ Annotated Reactive C[C@]1(c2cccc(NC(=O)CBr)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498900 IJ Annotated Reactive C[C@@]1(c2cccc(NC(=O)CBr)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498901 IJ Annotated Reactive COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587498910 IJ Annotated Reactive COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587498911 IJ Annotated Reactive CCOC(=O)[C@@]1(CCBr)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587498958 IJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587498959 IJ Annotated Reactive CCOC(=O)[C@@]1(CCBr)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587498960 IJ Annotated Reactive CCOC(=O)[C@]1(CCBr)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587498961 IJ Annotated Reactive COC(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498996 IJ Annotated Reactive COC(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587498997 IJ Annotated Reactive CN(C)/C=C\[C@]1(c2cccc(Br)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499003 IJ Annotated Anodyne CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(C)cc(Br)c21 ZINC000587499012 IJ Annotated Anodyne CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(C)cc(Br)c21 ZINC000587499013 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587499158 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Br)cc(Cl)cc12 ZINC000587499159 IJ Annotated Anodyne C[C@]1(c2cc3c(cc2Br)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499300 IJ Annotated Anodyne C[C@@]1(c2cc3c(cc2Br)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499304 IJ Annotated Anodyne NC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587499310 IJ Annotated Anodyne NC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1 ZINC000587499328 IJ Annotated Anodyne CCOC(=O)[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499384 IJ Annotated Reactive CCOC(=O)[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499387 IJ Annotated Reactive CCOC(=O)[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499389 IJ Annotated Reactive CCOC(=O)[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499391 IJ Annotated Reactive COc1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] ZINC000587499485 IJ Annotated Reactive COc1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1[N+](=O)[O-] ZINC000587499489 IJ Annotated Reactive COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587499624 IJ Annotated Reactive COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587499625 IJ Annotated Reactive COc1c(Br)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1OC ZINC000587499662 IJ Annotated Anodyne COc1c(Br)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1OC ZINC000587499663 IJ Annotated Anodyne O=C1C[C@@](CBr)(c2ccc3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 ZINC000587499668 IJ Annotated Reactive O=C1C[C@](CBr)(c2ccc3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 ZINC000587499670 IJ Annotated Reactive COc1ccc(OC)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499700 IJ Annotated Reactive COc1ccc(OC)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499701 IJ Annotated Reactive COC(=O)c1cc(Br)c(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499720 IJ Annotated Anodyne COC(=O)c1cc(Br)c(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587499721 IJ Annotated Anodyne Cc1ccc([C@@]2([C@H](Br)CC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499723 IJ Annotated Reactive Cc1ccc([C@@]2([C@@H](Br)CC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499732 IJ Annotated Reactive Cc1ccc([C@]2([C@H](Br)CC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499734 IJ Annotated Reactive Cc1ccc([C@]2([C@@H](Br)CC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499736 IJ Annotated Reactive COC(=O)c1cccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587500044 IJ Annotated Reactive COC(=O)c1cccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587500046 IJ Annotated Reactive CC(=O)NCCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500092 IJ Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500094 IJ Annotated Reactive CC(=O)NCCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500096 IJ Annotated Reactive CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500098 IJ Annotated Reactive O=C1C[C@@](CBr)([C@H]2COc3ccccc3O2)Oc2c1ccc1c2CCCC1 ZINC000587500105 IJ Annotated Reactive O=C1C[C@](CBr)([C@H]2COc3ccccc3O2)Oc2c1ccc1c2CCCC1 ZINC000587500106 IJ Annotated Reactive O=C1C[C@@](CBr)([C@@H]2COc3ccccc3O2)Oc2c1ccc1c2CCCC1 ZINC000587500107 IJ Annotated Reactive O=C1C[C@](CBr)([C@@H]2COc3ccccc3O2)Oc2c1ccc1c2CCCC1 ZINC000587500108 IJ Annotated Reactive CCOC(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500172 IJ Annotated Reactive CCOC(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500173 IJ Annotated Reactive CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Br)cc21 ZINC000587500481 IJ Annotated Anodyne CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Br)cc21 ZINC000587500483 IJ Annotated Anodyne O=C1C[C@@H](c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o2)Oc2c1ccc1c2CCCC1 ZINC000587500522 IJ Annotated Bother O=C1C[C@H](c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o2)Oc2c1ccc1c2CCCC1 ZINC000587500524 IJ Annotated Bother C[C@@H](Br)[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500552 IJ Annotated Reactive C[C@@H](Br)[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500553 IJ Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500554 IJ Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500556 IJ Annotated Reactive COC(=O)c1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br ZINC000587500724 IJ Annotated Anodyne COC(=O)c1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br ZINC000587500726 IJ Annotated Anodyne C[C@@]1(c2cc(Br)cc3nc(N)oc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500856 IJ Annotated Anodyne C[C@]1(c2cc(Br)cc3nc(N)oc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500858 IJ Annotated Anodyne O=C(O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc2O1 ZINC000587500871 IJ Annotated Anodyne O=C(O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc2O1 ZINC000587500873 IJ Annotated Anodyne O=C1C[C@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587500905 IJ Annotated Bother O=C1C[C@@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)Oc2c1ccc1c2CCCC1 ZINC000587500910 IJ Annotated Bother O=C1CCc2cc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 ZINC000587501001 IJ Annotated Reactive O=C1CCc2cc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)ccc2N1 ZINC000587501006 IJ Annotated Reactive O=C(O)C[C@@H](Br)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501147 IJ Annotated Reactive COc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587501154 IJ Annotated Reactive COc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 ZINC000587501157 IJ Annotated Reactive O=C1C[C@@](CBr)(c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587501298 IJ Annotated Reactive O=C1C[C@](CBr)(c2ccc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 ZINC000587501313 IJ Annotated Reactive C[C@@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501504 IJ Annotated Unstable C[C@]1(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501511 IJ Annotated Unstable COc1cc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1Cl ZINC000587501713 IJ Annotated Anodyne COc1cc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1Cl ZINC000587501717 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501758 IJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501759 IJ Annotated Anodyne CCOC(=O)c1ccccc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501796 IJ Annotated Reactive CCOC(=O)c1ccccc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501797 IJ Annotated Reactive O=C(O)C[C@@H](Br)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501817 IJ Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501818 IJ Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501819 IJ Annotated Reactive COc1cccc(I)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501986 IJ Annotated Anodyne COc1cccc(I)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501989 IJ Annotated Anodyne O=C1C[C@@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587502191 IJ Annotated Clean O=C1C[C@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)Oc2c1ccc1c2CCCC1 ZINC000587502194 IJ Annotated Clean CCOC(=O)[C@]1(c2c(F)cccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502341 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(F)cccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502351 IJ Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502443 IJ Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502452 IJ Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502683 IJ Annotated Bother C[C@@]1(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502684 IJ Annotated Bother O=C1C[C@@H](c2cccc3c(I)n[nH]c23)Oc2c1ccc1c2CCCC1 ZINC000587502910 IJ Annotated Anodyne O=C1C[C@H](c2cccc3c(I)n[nH]c23)Oc2c1ccc1c2CCCC1 ZINC000587502912 IJ Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@@H](C)C(=O)N(C)C ZINC000587503021 IJ Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@H](C)C(=O)N(C)C ZINC000587503024 IJ Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@@H](C)C(=O)N(C)C ZINC000587503027 IJ Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@H](C)C(=O)N(C)C ZINC000587503029 IJ Annotated Anodyne N#CC[C@@]1(c2ccccc2I)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503043 IJ Annotated Mild N#CC[C@]1(c2ccccc2I)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503046 IJ Annotated Mild C[C@@]1(c2cc(I)ccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503123 IJ Annotated Anodyne C[C@]1(c2cc(I)ccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503127 IJ Annotated Anodyne N=c1[nH]c2ccc([C@]3(c4ccc(F)cc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1 ZINC000587503167 IJ Annotated Anodyne N=c1[nH]c2ccc([C@@]3(c4ccc(F)cc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1 ZINC000587503171 IJ Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2OCCCO)Oc2c1ccc1c2CCCC1 ZINC000587503314 IJ Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2OCCCO)Oc2c1ccc1c2CCCC1 ZINC000587503325 IJ Annotated Anodyne O=C1C[C@H](c2ccc3[nH]nc(I)c3c2)Oc2c1ccc1c2CCCC1 ZINC000587503723 IJ Annotated Anodyne O=C1C[C@@H](c2ccc3[nH]nc(I)c3c2)Oc2c1ccc1c2CCCC1 ZINC000587503724 IJ Annotated Anodyne O=C1C[C@@H](c2cccc3[nH]nc(I)c23)Oc2c1ccc1c2CCCC1 ZINC000587503737 IJ Annotated Anodyne O=C1C[C@H](c2cccc3[nH]nc(I)c23)Oc2c1ccc1c2CCCC1 ZINC000587503739 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Br)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503980 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Br)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503982 IJ Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2N2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587504186 IJ Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2N2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587504188 IJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504545 IJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504559 IJ Annotated Anodyne CN(CC(=O)O)c1ccc(C(F)(F)F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504892 IJ Annotated Anodyne CN(CC(=O)O)c1ccc(C(F)(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504900 IJ Annotated Anodyne O=C1C[C@@H](c2ccc(OCCN3CCOCC3)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587504987 IJ Annotated Anodyne O=C1C[C@H](c2ccc(OCCN3CCOCC3)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587504988 IJ Annotated Anodyne O=C1CC2(CC(C(=O)O)(c3cccc(Br)c3)C2)Oc2c1ccc1c2CCCC1 ZINC000587505091 IJ Annotated Anodyne C[C@H](Oc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587505118 IJ Annotated Anodyne C[C@@H](Oc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587505119 IJ Annotated Anodyne C[C@@H](Oc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587505120 IJ Annotated Anodyne C[C@H](Oc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O ZINC000587505121 IJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505159 IJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505161 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505190 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505191 IJ Annotated Anodyne O=C(O)c1cc(I)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505502 IJ Annotated Anodyne O=C(O)c1cc(I)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505506 IJ Annotated Anodyne O=C1C[C@H](CCOc2cccc(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587505533 IJ Annotated Anodyne O=C1C[C@@H](CCOc2cccc(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587505564 IJ Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505640 IJ Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505644 IJ Annotated Anodyne COC(=O)[C@@H](C)[C@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505687 IJ Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505692 IJ Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505697 IJ Annotated Anodyne COC(=O)[C@@H](C)[C@@]1(c2cccc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505702 IJ Annotated Anodyne C[C@]1(c2cc(Br)ccc2OCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505803 IJ Annotated Anodyne C[C@@]1(c2cc(Br)ccc2OCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505811 IJ Annotated Anodyne Cn1ccnc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505916 IJ Annotated Bother C[C@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br)C(=O)O ZINC000587505924 IJ Annotated Anodyne C[C@@H](Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br)C(=O)O ZINC000587505927 IJ Annotated Anodyne Cn1ccnc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505928 IJ Annotated Bother C[C@@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br)C(=O)O ZINC000587505931 IJ Annotated Anodyne C[C@H](Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br)C(=O)O ZINC000587505936 IJ Annotated Anodyne CC(=O)N1CCC([C@@]2(c3ccc(F)cc3F)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587506087 IJ Annotated Anodyne CC(=O)N1CCC([C@]2(c3ccc(F)cc3F)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587506088 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506192 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506195 IJ Annotated Anodyne O=C1C[C@]2(CCc3ccc(I)cc32)Oc2c1ccc1c2CCCC1 ZINC000587506383 IJ Annotated Anodyne O=C1C[C@@]2(CCc3ccc(I)cc32)Oc2c1ccc1c2CCCC1 ZINC000587506407 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587506578 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(Br)c(Cl)c12 ZINC000587506583 IJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506609 IJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506613 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507022 IJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507025 IJ Annotated Anodyne O=C1C[C@]2(CCc3cc(I)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587507068 IJ Annotated Anodyne O=C1C[C@@]2(CCc3cc(I)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587507069 IJ Annotated Anodyne Cc1cc(I)cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1N ZINC000587507080 IJ Annotated Anodyne Cc1cc(I)cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1N ZINC000587507083 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507185 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(F)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507186 IJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cnc1N ZINC000587507233 IJ Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cnc1N ZINC000587507239 IJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCC(F)F ZINC000587507511 IJ Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCC(F)F ZINC000587507515 IJ Annotated Bother O=C1C[C@@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)Oc2c1ccc1c2CCCC1 ZINC000587507600 IJ Annotated Anodyne O=C1C[C@H](c2cn(Cc3cccc(C(F)(F)F)c3)nn2)Oc2c1ccc1c2CCCC1 ZINC000587507606 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507666 IJ Annotated Bother CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507692 IJ Annotated Bother O=C1C[C@@H](c2c(I)ccnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587507822 IJ Annotated Anodyne O=C1C[C@H](c2c(I)ccnc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587507827 IJ Annotated Anodyne O=C1C[C@]2(CCOc3ccc(I)cc32)Oc2c1ccc1c2CCCC1 ZINC000587507831 IJ Annotated Anodyne O=C1C[C@@]2(CCOc3ccc(I)cc32)Oc2c1ccc1c2CCCC1 ZINC000587507833 IJ Annotated Anodyne O=C1C[C@H](c2ccc3c(I)n[nH]c3c2)Oc2c1ccc1c2CCCC1 ZINC000587507875 IJ Annotated Anodyne O=C1C[C@@H](c2ccc3c(I)n[nH]c3c2)Oc2c1ccc1c2CCCC1 ZINC000587507876 IJ Annotated Anodyne COc1ccc(I)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587508328 IJ Annotated Anodyne COc1ccc(I)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587508330 IJ Annotated Anodyne C[C@@]1(c2ccc(O)c(I)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508459 IJ Annotated Anodyne C[C@]1(c2ccc(O)c(I)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508462 IJ Annotated Anodyne COc1cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1O ZINC000587508526 IJ Annotated Reactive COc1cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(F)cc1O ZINC000587508535 IJ Annotated Reactive N#CC[C@@]1(c2cccc(I)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508714 IJ Annotated Mild N#CC[C@]1(c2cccc(I)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508719 IJ Annotated Mild O=N[C@@H](C(=O)Nc1cccnc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508747 IJ Annotated Anodyne O=N[C@H](C(=O)Nc1cccnc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508751 IJ Annotated Anodyne O=N[C@@H](C(=O)Nc1cccnc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508755 IJ Annotated Anodyne O=N[C@H](C(=O)Nc1cccnc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508759 IJ Annotated Anodyne O=C1C[C@@]2(C=C(CO)OC=C2OCc2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508803 IJ Annotated Anodyne O=C1C[C@]2(C=C(CO)OC=C2OCc2ccccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587508805 IJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508844 IJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508846 IJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587509127 IJ Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587509129 IJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1I ZINC000587509155 IJ Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1I ZINC000587509157 IJ Annotated Anodyne O=C1C[C@H](c2cnc3[nH]cc(I)c3c2)Oc2c1ccc1c2CCCC1 ZINC000587509159 IJ Annotated Anodyne O=C1C[C@@H](c2cnc3[nH]cc(I)c3c2)Oc2c1ccc1c2CCCC1 ZINC000587509160 IJ Annotated Anodyne N#CC[C@@]1(c2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509170 IJ Annotated Mild N#CC[C@]1(c2ccc(I)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509173 IJ Annotated Mild CCOC(=O)C[C@]1(c2cc(F)c(F)c(OC)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509280 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(OC)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509283 IJ Annotated Anodyne COc1cccc(NC(=O)C[C@@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587509505 IJ Annotated Anodyne COc1cccc(NC(=O)C[C@]2(c3cccnc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587509511 IJ Annotated Anodyne O=C1C[C@]2(CCc3c(I)cccc32)Oc2c1ccc1c2CCCC1 ZINC000587509621 IJ Annotated Anodyne O=C1C[C@@]2(CCc3c(I)cccc32)Oc2c1ccc1c2CCCC1 ZINC000587509624 IJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510002 IJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510017 IJ Annotated Anodyne Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510473 IJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510482 IJ Annotated Bother Nc1ccccc1C(=O)OC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510546 IJ Annotated Anodyne Nc1ccccc1C(=O)OC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510547 IJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510988 IJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510992 IJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510995 IJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510998 IJ Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511064 IJ Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511066 IJ Annotated Anodyne Cc1ccc([C@@]2(c3ccc(CC(=O)O)n3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511093 IJ Annotated Anodyne Cc1ccc([C@]2(c3ccc(CC(=O)O)n3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511094 IJ Annotated Anodyne Nc1cccc([C@@]2(c3ccc4c(c3)OCCO4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587511102 IJ Annotated Anodyne Nc1cccc([C@]2(c3ccc4c(c3)OCCO4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587511107 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H](CC1CCOCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511225 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 ZINC000587511234 IJ Annotated Bother CC(C)(C)OC(=O)NC[C@H](CC1CCOCC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511238 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c([N+](=O)[O-])ccc(O)c12 ZINC000587511239 IJ Annotated Bother CC(C)(C)OC(=O)NC[C@H](CC1CCOCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511241 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H](CC1CCOCC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511242 IJ Annotated Anodyne C#CCNC(=O)c1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511302 IJ Annotated Mild C#CCNC(=O)c1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511308 IJ Annotated Mild Nc1ccc(C(=O)OC[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511362 IJ Annotated Anodyne Nc1ccc(C(=O)OC[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511364 IJ Annotated Anodyne O=C(COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)Nc1ccccn1 ZINC000587511558 IJ Annotated Anodyne O=C(COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)Nc1ccccn1 ZINC000587511559 IJ Annotated Anodyne Cc1cc(C)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(C#N)c(N)nc1O2 ZINC000587511618 IJ Annotated Mild Cc1cc(C)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(C#N)c(N)nc1O2 ZINC000587511621 IJ Annotated Mild O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587511756 IJ Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12 ZINC000587511757 IJ Annotated Bother CCOC(=O)N1CCN(c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587511965 IJ Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587511968 IJ Annotated Anodyne O=C1C[C@H](COC2CCN(C(=O)OCc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587511991 IJ Annotated Anodyne O=C1C[C@@H](COC2CCN(C(=O)OCc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 ZINC000587511993 IJ Annotated Anodyne C[C@]1(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512058 IJ Annotated Mild C[C@@]1(c2c(N)c(C#N)cn2-c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512069 IJ Annotated Mild COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587512115 IJ Annotated Bother COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587512117 IJ Annotated Bother O=C1C[C@H](c2ccc(-c3noc(CN4CCCC4)n3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587512272 IJ Annotated Anodyne O=C1C[C@@H](c2ccc(-c3noc(CN4CCCC4)n3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587512273 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 ZINC000587512814 IJ Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(O)ccc([N+](=O)[O-])c12 ZINC000587512817 IJ Annotated Bother O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587512829 IJ Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)/C(=C\c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587512832 IJ Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587512833 IJ Annotated Bother O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)/C(=C/c1ccccc1[N+](=O)[O-])N1CCC2CC1 ZINC000587512834 IJ Annotated Bother Cn1cc([C@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O ZINC000587512951 IJ Annotated Bother Cn1cc([C@@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C=O ZINC000587512953 IJ Annotated Bother Cn1cc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1/C=C/C(=O)O ZINC000587512987 IJ Annotated Anodyne Cn1cc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1/C=C\C(=O)O ZINC000587512988 IJ Annotated Anodyne Cn1cc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1/C=C\C(=O)O ZINC000587512989 IJ Annotated Anodyne Cn1cc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1/C=C/C(=O)O ZINC000587512991 IJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587513149 IJ Annotated Anodyne CCN(C(C)=O)c1cccc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587513155 IJ Annotated Anodyne CN(C)/C=C1\N(C(=O)OC(C)(C)C)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513241 IJ Annotated Anodyne CN(C)/C=C1/N(C(=O)OC(C)(C)C)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513255 IJ Annotated Anodyne CN(C)/C=C1/N(C(=O)OC(C)(C)C)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513260 IJ Annotated Anodyne CN(C)/C=C1\N(C(=O)OC(C)(C)C)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513264 IJ Annotated Anodyne Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513322 IJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587513324 IJ Annotated Bother O=C(COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)NCc1ccco1 ZINC000587513387 IJ Annotated Anodyne O=C(COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)NCc1ccco1 ZINC000587513392 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H](Cc1cccnc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513425 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](Cc1cccnc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513428 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](Cc1cccnc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513431 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H](Cc1cccnc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513432 IJ Annotated Anodyne Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513458 IJ Annotated Bother Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513459 IJ Annotated Bother COc1cncc(C(=O)Nc2ccccc2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513632 IJ Annotated Anodyne COc1cncc(C(=O)Nc2ccccc2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513635 IJ Annotated Anodyne Cc1cc([N+](=O)[O-])nn1COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587513782 IJ Annotated Bother Cc1cc([N+](=O)[O-])nn1COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587513784 IJ Annotated Bother COc1ccc(-c2nc3ncccn3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514097 IJ Annotated Anodyne COc1ccc(-c2nc3ncccn3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514099 IJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1CCCCC1 ZINC000587514144 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H](Cc1ccncc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514149 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](Cc1ccncc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514150 IJ Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1CCCCC1 ZINC000587514151 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](Cc1ccncc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514152 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H](Cc1ccncc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514154 IJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 ZINC000587514238 IJ Annotated Anodyne CC1CCN(C(=O)COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 ZINC000587514245 IJ Annotated Anodyne Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000587514502 IJ Annotated Anodyne Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000587514503 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587514546 IJ Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c12 ZINC000587514547 IJ Annotated Bother N#CCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc3c(c2)OCO3)n1 ZINC000587514565 IJ Annotated Mild N#CCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccc3c(c2)OCO3)n1 ZINC000587514568 IJ Annotated Mild C[C@]1(c2ccc(OCC(=O)N3CCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514734 IJ Annotated Anodyne C[C@@]1(c2ccc(OCC(=O)N3CCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514736 IJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1C ZINC000587514928 IJ Annotated Anodyne CC(=O)CC(=O)N(C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1C ZINC000587514929 IJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514930 IJ Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514931 IJ Annotated Anodyne CN(C)/C=C1\C[C@H](NC(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514953 IJ Annotated Anodyne CN(C)/C=C1\C[C@H](NC(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514954 IJ Annotated Anodyne CN(C)/C=C1/C[C@H](NC(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514955 IJ Annotated Anodyne CN(C)/C=C1/C[C@H](NC(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514956 IJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587515139 IJ Annotated Anodyne CC1CCN(C(=O)COc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587515142 IJ Annotated Anodyne CN1CCN(c2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)CC1 ZINC000587515576 IJ Annotated Anodyne CN1CCN(c2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3n2C)CC1 ZINC000587515577 IJ Annotated Anodyne C[C@H]1CN(CCOc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)O1 ZINC000587515832 IJ Annotated Anodyne C[C@@H]1CN(CCOc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)O1 ZINC000587515833 IJ Annotated Anodyne C[C@@H]1CN(CCOc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)O1 ZINC000587515834 IJ Annotated Anodyne C[C@H]1CN(CCOc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)O1 ZINC000587515835 IJ Annotated Anodyne O=C1C[C@H](c2cn(CC(=O)N3CCCC3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587515860 IJ Annotated Anodyne O=C1C[C@@H](c2cn(CC(=O)N3CCCC3)c3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587515861 IJ Annotated Anodyne O=C1C[C@@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587516207 IJ Annotated Anodyne O=C1C[C@](CN2C(=O)c3ccccc3C2=O)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587516208 IJ Annotated Anodyne CCN(CC)C(=O)[C@]1(c2cn(C)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516301 IJ Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2cn(C)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516303 IJ Annotated Anodyne O=C1C[C@@]2(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)Oc2c1ccc1c2CCCC1 ZINC000587516639 IJ Annotated Anodyne Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516650 IJ Annotated Mild Cc1nn(-c2ccccc2)c(N=CN(C)C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516675 IJ Annotated Mild O=C1C[C@]2(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)Oc2c1ccc1c2CCCC1 ZINC000587516677 IJ Annotated Anodyne O=C1C[C@@]2(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)Oc2c1ccc1c2CCCC1 ZINC000587516679 IJ Annotated Anodyne O=C1C[C@]2(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)Oc2c1ccc1c2CCCC1 ZINC000587516681 IJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516921 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516926 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517678 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517679 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517680 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517681 IJ Annotated Anodyne O=C1CC2(CCC(CN3C(=O)c4ccccc4C3=O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587517923 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517989 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517990 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517991 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517992 IJ Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587518029 IJ Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)Oc2c1ccc1c2CCCC1 ZINC000587518030 IJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@@]3(C=C2C)CC(=O)c2ccc4c(c2O3)CCCC4)cc1OC ZINC000587518037 IJ Annotated Anodyne COc1ccc(CN2C(=O)C[C@]3(C=C2C)CC(=O)c2ccc4c(c2O3)CCCC4)cc1OC ZINC000587518038 IJ Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](CN1CCOCC1)CC2 ZINC000587518373 IJ Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](CN1CCOCC1)CC2 ZINC000587518374 IJ Annotated Anodyne CCc1c(C)[nH]c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](CN1CCOCC1)CC2 ZINC000587518375 IJ Annotated Anodyne CCc1c(C)[nH]c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](CN1CCOCC1)CC2 ZINC000587518376 IJ Annotated Anodyne O=C1CC2(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587518442 IJ Annotated Anodyne O=C1CC2(C[C@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587518443 IJ Annotated Anodyne O=C1C[C@@]2(C[C@@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587518444 IJ Annotated Anodyne N#Cc1c(CN2CCCC2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n2ccccc12 ZINC000587518474 IJ Annotated Mild N#Cc1c(CN2CCCC2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n2ccccc12 ZINC000587518475 IJ Annotated Mild O=C1C[C@](CCN2CCOCC2)(c2cc3ccccc3o2)Oc2c1ccc1c2CCCC1 ZINC000587518778 IJ Annotated Anodyne O=C1C[C@@](CCN2CCOCC2)(c2cc3ccccc3o2)Oc2c1ccc1c2CCCC1 ZINC000587518779 IJ Annotated Anodyne CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCOCC1 ZINC000587518803 IJ Annotated Anodyne CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CN1CCOCC1 ZINC000587518804 IJ Annotated Anodyne Cc1ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCOCC3)nc2c1 ZINC000587518842 IJ Annotated Anodyne Cc1ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCOCC3)nc2c1 ZINC000587518843 IJ Annotated Anodyne Cc1cc2c(nc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCCN2C(=O)C(C)(C)C ZINC000587519024 IJ Annotated Anodyne Cc1cc2c(nc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCCN2C(=O)C(C)(C)C ZINC000587519025 IJ Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(C)cc(C)cc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520424 IJ Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(C)cc(C)cc2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520425 IJ Annotated Anodyne COc1cc(OCCCC(=O)O)cc(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521018 IJ Annotated Anodyne COc1cc(OCCCC(=O)O)cc(OC)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521019 IJ Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521049 IJ Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521050 IJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521189 IJ Annotated Anodyne COc1ccc(-c2nn3ccnc(O)c3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587521190 IJ Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521242 IJ Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521245 IJ Annotated Anodyne CC(C)(C)OC(=O)CC1(CC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522365 IJ Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523121 IJ Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523134 IJ Annotated Anodyne COc1ccc(C(=O)CC[C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523425 IJ Annotated Anodyne COc1ccc(C(=O)CC[C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523426 IJ Annotated Anodyne C[C@@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524433 IJ Annotated Clean C[C@]1(c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524438 IJ Annotated Clean Cc1ccc(-c2nn3ccnc(O)c3c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587525514 IJ Annotated Anodyne Cc1ccc(-c2nn3ccnc(O)c3c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587525522 IJ Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525725 IJ Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3ccccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525726 IJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525731 IJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587525742 IJ Annotated Anodyne C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](C(=O)O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526276 IJ Annotated Clean C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](C(=O)O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526279 IJ Annotated Clean C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](C(=O)O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526281 IJ Annotated Clean C[C@]1(c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](C(=O)O)N3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526285 IJ Annotated Clean COc1ccc([C@@]2(CCC(=O)CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527054 IJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527062 IJ Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@@]3(CCC(=O)O)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587527114 IJ Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@]3(CCC(=O)O)CC(=O)c4ccc5c(c4O3)CCCC5)cc21 ZINC000587527127 IJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527159 IJ Annotated Anodyne Cc1onc(C(=O)O)c1COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587527163 IJ Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3O)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587527195 IJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(C4CC4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1 ZINC000587527295 IJ Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587527359 IJ Annotated Anodyne Cc1ccc2nc(N3CCCCC3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587527360 IJ Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(C4CC4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2[nH]1 ZINC000587527640 IJ Annotated Anodyne C[C@]1(c2cccc(OCc3cc(C(=O)O)no3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528323 IJ Annotated Anodyne C[C@@]1(c2cccc(OCc3cc(C(=O)O)no3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528324 IJ Annotated Anodyne O=C(O)c1ccc(C2(c3ccc(C(=O)O)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587529095 IJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O ZINC000587529218 IJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O ZINC000587529219 IJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587529294 IJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587529295 IJ Annotated Anodyne O=C1C[C@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529596 IJ Annotated Clean O=C1C[C@@]2(C=C(c3cc(O)c(O)c(O)c3)Oc3ccccc32)Oc2c1ccc1c2CCCC1 ZINC000587529606 IJ Annotated Clean CS(=O)(=O)c1cccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529632 IJ Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587529633 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587529944 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587529947 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587529953 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccccc1)Oc1cc(O)cc(O)c12 ZINC000587529956 IJ Annotated Anodyne O=C(O)c1ccc2c(c1)C1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(C(=O)O)ccc1-2 ZINC000587530013 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530328 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2cccc2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530333 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587530446 IJ Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587530449 IJ Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@H]2c1ccc(O)c(O)c1 ZINC000587530451 IJ Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)c(O)c1 ZINC000587530453 IJ Annotated Clean O=C(O)C[C@H](Br)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530716 IJ Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530719 IJ Annotated Reactive O=C(O)C[C@@H](Br)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530720 IJ Annotated Reactive O=C(O)C[C@@H](Br)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530721 IJ Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587531187 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(c1ccc(O)cc1)=COc1cc(O)cc(O)c12 ZINC000587531188 IJ Annotated Anodyne CC(C)(C)OC(=O)C[C@H]1C[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)OC(C)(C)O1 ZINC000587531229 IJ Annotated Anodyne CC(C)(C)OC(=O)C[C@H]1C[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)OC(C)(C)O1 ZINC000587531232 IJ Annotated Anodyne CS(=O)(=O)c1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531237 IJ Annotated Anodyne CS(=O)(=O)c1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531238 IJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531323 IJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531324 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531534 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Br)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531538 IJ Annotated Anodyne NS(=O)(=O)c1ccc(Oc2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531687 IJ Annotated Anodyne NS(=O)(=O)c1ccc(Oc2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531690 IJ Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531771 IJ Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531772 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587531775 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587531776 IJ Annotated Anodyne O=C1C[C@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)Oc2c1ccc1c2CCCC1 ZINC000587532124 IJ Annotated Unstable O=C1C[C@@]2(CCc3cc(Cl)c(S(=O)(=O)Cl)cc32)Oc2c1ccc1c2CCCC1 ZINC000587532128 IJ Annotated Unstable CS(=O)(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1 ZINC000587532155 IJ Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1 ZINC000587532156 IJ Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532250 IJ Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532253 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587532272 IJ Annotated Reactive COC(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587532276 IJ Annotated Reactive COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c(O)cc(O)cc1O2 ZINC000587532462 IJ Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c(O)cc(O)cc1O2 ZINC000587532469 IJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532659 IJ Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532662 IJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cccc(O)c1C2=O ZINC000587532665 IJ Annotated Anodyne Cc1cc(O)c2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cccc(O)c1C2=O ZINC000587532667 IJ Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532680 IJ Annotated Anodyne Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532683 IJ Annotated Anodyne COP(=O)(C[C@]1(COc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587532870 IJ Annotated Anodyne COP(=O)(C[C@@]1(COc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587532875 IJ Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nncn1C ZINC000587533451 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)cc1OC(=O)[C@@H]2c1ccccc1 ZINC000587533459 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)cc1OC(=O)[C@@H]2c1ccccc1 ZINC000587533460 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)cc1OC(=O)[C@H]2c1ccccc1 ZINC000587533461 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)cc1OC(=O)[C@H]2c1ccccc1 ZINC000587533462 IJ Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nncn1C ZINC000587533601 IJ Annotated Anodyne O=C1C[C@@](CS(=O)(=O)c2ccccc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587533847 IJ Annotated Anodyne O=C1C[C@](CS(=O)(=O)c2ccccc2)(c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587533848 IJ Annotated Anodyne Cc1c(O)cc2c(c1O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587533977 IJ Annotated Anodyne Cc1c(O)cc2c(c1O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587533978 IJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534244 IJ Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534247 IJ Annotated Anodyne COc1cccc2c1Oc1cc(O)cc(O)c1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534326 IJ Annotated Anodyne COc1cccc2c1Oc1cc(O)cc(O)c1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534327 IJ Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534360 IJ Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534361 IJ Annotated Anodyne C=CCNc1nc(N)c([C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534652 IJ Annotated Mild C=CCNc1nc(N)c([C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587534657 IJ Annotated Mild CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534716 IJ Annotated Reactive CCOC(=O)[C@@H](c1nc(C)cs1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534719 IJ Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534720 IJ Annotated Reactive CCOC(=O)[C@@H](c1nc(C)cs1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534721 IJ Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587535012 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587535014 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587535016 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)cc1)Oc1ccccc12 ZINC000587535018 IJ Annotated Anodyne O=C1C[C@H]([C@@H]2NC(=O)c3c(-c4ccccc4)csc3N2)Oc2c1ccc1c2CCCC1 ZINC000587535035 IJ Annotated Anodyne O=C1C[C@@H]([C@@H]2NC(=O)c3c(-c4ccccc4)csc3N2)Oc2c1ccc1c2CCCC1 ZINC000587535036 IJ Annotated Anodyne O=C1C[C@H]([C@H]2NC(=O)c3c(-c4ccccc4)csc3N2)Oc2c1ccc1c2CCCC1 ZINC000587535037 IJ Annotated Anodyne O=C1C[C@@H]([C@H]2NC(=O)c3c(-c4ccccc4)csc3N2)Oc2c1ccc1c2CCCC1 ZINC000587535038 IJ Annotated Anodyne Cc1nc(C(=O)O)c([C@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535245 IJ Annotated Anodyne Cc1nc(C(=O)O)c([C@@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535246 IJ Annotated Anodyne O=C1C[C@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)Oc2c1ccc1c2CCCC1 ZINC000587535475 IJ Annotated Anodyne O=C1C[C@@](c2ccc(OCC3OCCO3)cc2)(C2CCC2)Oc2c1ccc1c2CCCC1 ZINC000587535479 IJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1OC2 ZINC000587535653 IJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1OC2 ZINC000587535659 IJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1CO2 ZINC000587536016 IJ Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1CO2 ZINC000587536017 IJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587536097 IJ Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587536102 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587536521 IJ Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587536524 IJ Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587536525 IJ Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(O)c(O)c1)Oc1ccccc12 ZINC000587536526 IJ Annotated Clean CC(=O)N1CCc2sc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2C1 ZINC000587536587 IJ Annotated Reactive CC(=O)N1CCc2sc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2C1 ZINC000587536588 IJ Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)cc1 ZINC000587536958 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@H]2c1ccc(O)cc1 ZINC000587536959 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@H]2c1ccc(O)cc1 ZINC000587536960 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccccc1O[C@@H]2c1ccc(O)cc1 ZINC000587536961 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccccc1 ZINC000587536986 IJ Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccccc1 ZINC000587536987 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@H]2c1ccccc1 ZINC000587536988 IJ Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c(O)cc(O)cc1O[C@@H]2c1ccccc1 ZINC000587536989 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)[C@@H]1Cc2ccccc21 ZINC000587537266 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)[C@H]1Cc2ccccc21 ZINC000587537269 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)[C@@H]1Cc2ccccc21 ZINC000587537270 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)[C@H]1Cc2ccccc21 ZINC000587537271 IJ Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537343 IJ Annotated Reactive Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537345 IJ Annotated Reactive Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537346 IJ Annotated Reactive Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537347 IJ Annotated Reactive COc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587537352 IJ Annotated Anodyne COc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587537353 IJ Annotated Anodyne COc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587537354 IJ Annotated Anodyne COc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587537355 IJ Annotated Anodyne CC[C@H](Br)[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537484 IJ Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537485 IJ Annotated Reactive CC[C@H](Br)[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537486 IJ Annotated Reactive CC[C@H](Br)[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537487 IJ Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537519 IJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537520 IJ Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537521 IJ Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537522 IJ Annotated Reactive COc1c(Br)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537683 IJ Annotated Anodyne COc1c(Br)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537684 IJ Annotated Anodyne COc1c(Br)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537685 IJ Annotated Anodyne COc1c(Br)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537686 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)Cc1ccccc1 ZINC000587537731 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)Cc1ccccc1 ZINC000587537733 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)Cc1ccccc1 ZINC000587537734 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)Cc1ccccc1 ZINC000587537735 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)ccc1Br ZINC000587537754 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)ccc1Br ZINC000587537756 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)ccc1Br ZINC000587537758 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)ccc1Br ZINC000587537760 IJ Annotated Anodyne C[C@]1(c2ccc(O)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537778 IJ Annotated Anodyne C[C@@]1(c2ccc(O)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537779 IJ Annotated Anodyne C[C@@]1(c2ccc(O)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537780 IJ Annotated Anodyne C[C@]1(c2ccc(O)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537781 IJ Annotated Anodyne COc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587537877 IJ Annotated Anodyne COc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587537879 IJ Annotated Anodyne COc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587537880 IJ Annotated Anodyne COc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587537881 IJ Annotated Anodyne COc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537943 IJ Annotated Anodyne COc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537944 IJ Annotated Anodyne COc1ccc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537946 IJ Annotated Anodyne COc1ccc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537947 IJ Annotated Anodyne O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587538006 IJ Annotated Anodyne O=C(O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587538008 IJ Annotated Anodyne O=C(O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587538009 IJ Annotated Anodyne O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587538011 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Br ZINC000587538019 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Br ZINC000587538020 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Br ZINC000587538021 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Br ZINC000587538022 IJ Annotated Bother Cc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587538090 IJ Annotated Reactive Cc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587538091 IJ Annotated Reactive Cc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587538092 IJ Annotated Reactive Cc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587538093 IJ Annotated Reactive COc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538159 IJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538160 IJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538161 IJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538162 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccnc1Cl ZINC000587538211 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccnc1Cl ZINC000587538212 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccnc1Cl ZINC000587538213 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccnc1Cl ZINC000587538214 IJ Annotated Anodyne Cc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538262 IJ Annotated Reactive Cc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538263 IJ Annotated Reactive Cc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538264 IJ Annotated Reactive Cc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538265 IJ Annotated Reactive N#Cc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587538325 IJ Annotated Reactive N#Cc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587538326 IJ Annotated Reactive N#Cc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587538327 IJ Annotated Reactive N#Cc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587538328 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cncc1Br ZINC000587538367 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cncc1Br ZINC000587538368 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cncc1Br ZINC000587538369 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cncc1Br ZINC000587538370 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc2c1OCC2 ZINC000587538387 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc2c1OCC2 ZINC000587538388 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc2c1OCC2 ZINC000587538389 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc2c1OCC2 ZINC000587538390 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1 ZINC000587538472 IJ Annotated Bother N#CC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538473 IJ Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c([N+](=O)[O-])c1 ZINC000587538474 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c([N+](=O)[O-])c1 ZINC000587538475 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1 ZINC000587538476 IJ Annotated Bother N#CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538478 IJ Annotated Mild N#CC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538482 IJ Annotated Mild N#CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538485 IJ Annotated Mild COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1O ZINC000587538505 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1O ZINC000587538506 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1O ZINC000587538507 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1O ZINC000587538513 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCCBr)c1 ZINC000587538534 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCCBr)c1 ZINC000587538536 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCCBr)c1 ZINC000587538538 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCCBr)c1 ZINC000587538540 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc2[nH]ncc12 ZINC000587538745 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc2[nH]ncc12 ZINC000587538753 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc2[nH]ncc12 ZINC000587538756 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc2[nH]ncc12 ZINC000587538758 IJ Annotated Anodyne O=Cc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587538813 IJ Annotated Anodyne O=Cc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587538814 IJ Annotated Anodyne O=Cc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587538816 IJ Annotated Anodyne O=Cc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587538818 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1Br ZINC000587538819 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc([N+](=O)[O-])c1Br ZINC000587538820 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc([N+](=O)[O-])c1Br ZINC000587538823 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc([N+](=O)[O-])c1Br ZINC000587538825 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccc(Br)cc12 ZINC000587538842 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1[N+](=O)[O-] ZINC000587538859 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1[N+](=O)[O-] ZINC000587538860 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cccc1[N+](=O)[O-] ZINC000587538861 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cccc1[N+](=O)[O-] ZINC000587538862 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1ccc(Br)cc12 ZINC000587538865 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccc(Br)cc12 ZINC000587538867 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1ccc(Br)cc12 ZINC000587538872 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)C=Cc1cc(Br)ccc12 ZINC000587538919 IJ Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)C=Cc1cc(Br)ccc12 ZINC000587538922 IJ Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)C=Cc1cc(Br)ccc12 ZINC000587538924 IJ Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)C=Cc1cc(Br)ccc12 ZINC000587538925 IJ Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCBr)cc1 ZINC000587538955 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCBr)cc1 ZINC000587538956 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCBr)cc1 ZINC000587538957 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCBr)cc1 ZINC000587538958 IJ Annotated Reactive N#CC[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539063 IJ Annotated Mild N#CC[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539064 IJ Annotated Mild N#CC[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539065 IJ Annotated Mild N#CC[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539066 IJ Annotated Mild COc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587539083 IJ Annotated Anodyne COc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587539084 IJ Annotated Anodyne COc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587539085 IJ Annotated Anodyne COc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587539086 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1Br ZINC000587539103 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1Br ZINC000587539104 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1Br ZINC000587539105 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1Br ZINC000587539106 IJ Annotated Bother COc1cccc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539119 IJ Annotated Anodyne COc1cccc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539120 IJ Annotated Anodyne COc1cccc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539121 IJ Annotated Anodyne COc1cccc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539122 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=COc1cc(Br)ccc12 ZINC000587539194 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=COc1cc(Br)ccc12 ZINC000587539197 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=COc1cc(Br)ccc12 ZINC000587539199 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=COc1cc(Br)ccc12 ZINC000587539202 IJ Annotated Anodyne Cc1cc(Br)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587539355 IJ Annotated Anodyne Cc1cc(Br)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587539356 IJ Annotated Anodyne Cc1cc(Br)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587539357 IJ Annotated Anodyne Cc1cc(Br)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587539358 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccnc(Cl)c1 ZINC000587539381 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccnc(Cl)c1 ZINC000587539386 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccnc(Cl)c1 ZINC000587539388 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccnc(Cl)c1 ZINC000587539390 IJ Annotated Reactive C[C@]1(c2ccc(Br)cc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539408 IJ Annotated Anodyne C[C@@]1(c2ccc(Br)cc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539414 IJ Annotated Anodyne C[C@@]1(c2ccc(Br)cc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539416 IJ Annotated Anodyne C[C@]1(c2ccc(Br)cc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539418 IJ Annotated Anodyne COc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539449 IJ Annotated Reactive COc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539450 IJ Annotated Reactive COc1ccccc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539451 IJ Annotated Reactive COc1ccccc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539453 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccc2c1OCO2 ZINC000587539457 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)ccc2c1OCO2 ZINC000587539460 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccc2c1OCO2 ZINC000587539462 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)ccc2c1OCO2 ZINC000587539464 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000587539611 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1Br)OCO2 ZINC000587539612 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1Br)OCO2 ZINC000587539613 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000587539614 IJ Annotated Anodyne COc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587539727 IJ Annotated Reactive COc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587539728 IJ Annotated Reactive COc1cccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587539729 IJ Annotated Reactive COc1cccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587539730 IJ Annotated Reactive C[C@]1(c2cc(Br)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539815 IJ Annotated Anodyne C[C@@]1(c2cc(Br)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539816 IJ Annotated Anodyne C[C@@]1(c2cc(Br)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539817 IJ Annotated Anodyne C[C@]1(c2cc(Br)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539818 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)cc1Br ZINC000587539843 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)cc1Br ZINC000587539844 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)cc1Br ZINC000587539845 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)cc1Br ZINC000587539846 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCCBr ZINC000587539937 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCCBr ZINC000587539939 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCCBr ZINC000587539941 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCCBr ZINC000587539942 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)COc1ccccc1 ZINC000587539964 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)COc1ccccc1 ZINC000587539966 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)COc1ccccc1 ZINC000587539967 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)COc1ccccc1 ZINC000587539969 IJ Annotated Reactive N#Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539970 IJ Annotated Reactive N#Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539971 IJ Annotated Reactive N#Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539972 IJ Annotated Reactive N#Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539973 IJ Annotated Reactive Cc1c(Br)cncc1CC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540045 IJ Annotated Anodyne Cc1c(Br)cncc1CC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540046 IJ Annotated Anodyne Cc1c(Br)cncc1CC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540047 IJ Annotated Anodyne Cc1c(Br)cncc1CC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540048 IJ Annotated Anodyne COc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587540078 IJ Annotated Anodyne COc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587540079 IJ Annotated Anodyne COc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587540080 IJ Annotated Anodyne COc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587540081 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1COc1ccccc1Br ZINC000587540140 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1COc1ccccc1Br ZINC000587540141 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1COc1ccccc1Br ZINC000587540142 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1COc1ccccc1Br ZINC000587540143 IJ Annotated Anodyne C[C@]1(c2ccc(N)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540176 IJ Annotated Anodyne C[C@@]1(c2ccc(N)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540177 IJ Annotated Anodyne C[C@@]1(c2ccc(N)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540239 IJ Annotated Anodyne C[C@]1(c2ccc(N)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540240 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1[N+](=O)[O-] ZINC000587540349 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1[N+](=O)[O-] ZINC000587540350 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1[N+](=O)[O-] ZINC000587540351 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1[N+](=O)[O-] ZINC000587540352 IJ Annotated Bother COc1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1O ZINC000587540439 IJ Annotated Anodyne COc1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1O ZINC000587540440 IJ Annotated Anodyne COc1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1O ZINC000587540441 IJ Annotated Anodyne COc1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1O ZINC000587540442 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC(C)=O ZINC000587540508 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OC(C)=O ZINC000587540518 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC(C)=O ZINC000587540520 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OC(C)=O ZINC000587540521 IJ Annotated Anodyne Cc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587540546 IJ Annotated Anodyne Cc1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587540547 IJ Annotated Anodyne Cc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587540548 IJ Annotated Anodyne Cc1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587540549 IJ Annotated Anodyne COc1cc(Br)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587540694 IJ Annotated Anodyne COc1cc(Br)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587540695 IJ Annotated Anodyne COc1cc(Br)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587540696 IJ Annotated Anodyne COc1cc(Br)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587540697 IJ Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1O ZINC000587540756 IJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1O ZINC000587540758 IJ Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1O ZINC000587540760 IJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1O ZINC000587540761 IJ Annotated Anodyne O=Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br ZINC000587540780 IJ Annotated Anodyne O=Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br ZINC000587540783 IJ Annotated Anodyne O=Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Br ZINC000587540784 IJ Annotated Anodyne O=Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Br ZINC000587540786 IJ Annotated Anodyne N#CC[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540796 IJ Annotated Mild N#CC[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540797 IJ Annotated Mild N#CC[C@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540799 IJ Annotated Mild N#CC[C@@]1(c2cccc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540800 IJ Annotated Mild C[C@]1(c2ccc(Br)c(C#N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540946 IJ Annotated Mild C[C@@]1(c2ccc(Br)c(C#N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540949 IJ Annotated Mild C[C@]1(c2ccc(Br)c(C#N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540951 IJ Annotated Mild C[C@@]1(c2ccc(Br)c(C#N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540953 IJ Annotated Mild COc1cc(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587541023 IJ Annotated Anodyne COc1cc(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587541024 IJ Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587541025 IJ Annotated Anodyne COc1cc(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587541026 IJ Annotated Anodyne C#CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587541179 IJ Annotated Mild C#CCOc1c(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587541180 IJ Annotated Mild C#CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587541181 IJ Annotated Mild C#CCOc1c(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587541182 IJ Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)OCCCO2 ZINC000587541291 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)OCCCO2 ZINC000587541292 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)OCCCO2 ZINC000587541293 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)OCCCO2 ZINC000587541294 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn2cccc(Br)c2n1 ZINC000587541323 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn2cccc(Br)c2n1 ZINC000587541324 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn2cccc(Br)c2n1 ZINC000587541325 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn2cccc(Br)c2n1 ZINC000587541326 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(Br)c1 ZINC000587541421 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(Br)c1 ZINC000587541422 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c(Br)c1 ZINC000587541423 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c(Br)c1 ZINC000587541424 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc2c(c1)OCCO2 ZINC000587541467 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCl)c1ccc2c(c1)OCCO2 ZINC000587541468 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc2c(c1)OCCO2 ZINC000587541469 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCl)c1ccc2c(c1)OCCO2 ZINC000587541470 IJ Annotated Reactive C[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl)C(=O)O ZINC000587541476 IJ Annotated Anodyne C[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl)C(=O)O ZINC000587541479 IJ Annotated Anodyne C[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl)C(=O)O ZINC000587541483 IJ Annotated Anodyne C[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl)C(=O)O ZINC000587541484 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CC[C@@H]2Br ZINC000587541601 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CC[C@H]2Br ZINC000587541602 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CC[C@@H]2Br ZINC000587541604 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CC[C@H]2Br ZINC000587541606 IJ Annotated Reactive COc1ccc(OC)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587541657 IJ Annotated Reactive COc1ccc(OC)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587541658 IJ Annotated Reactive COc1ccc(OC)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587541659 IJ Annotated Reactive COc1ccc(OC)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587541660 IJ Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541669 IJ Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541670 IJ Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541671 IJ Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541672 IJ Annotated Reactive COc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541744 IJ Annotated Anodyne COc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541745 IJ Annotated Anodyne COc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541746 IJ Annotated Anodyne COc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541747 IJ Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587541758 IJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587541759 IJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587541760 IJ Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587541761 IJ Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587541766 IJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587541767 IJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587541768 IJ Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587541769 IJ Annotated Anodyne C[C@]1(c2ccc(Br)c(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541825 IJ Annotated Anodyne C[C@@]1(c2ccc(Br)c(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541826 IJ Annotated Anodyne C[C@@]1(c2ccc(Br)c(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541827 IJ Annotated Anodyne C[C@]1(c2ccc(Br)c(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541828 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn2cc(Br)ccc2n1 ZINC000587541895 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn2cc(Br)ccc2n1 ZINC000587541897 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn2cc(Br)ccc2n1 ZINC000587541898 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn2cc(Br)ccc2n1 ZINC000587541899 IJ Annotated Anodyne CC1(C)CC2(CC(C)(C)N1C(=O)CCl)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587541948 IJ Annotated Reactive CC1(C)CC2(CC(C)(C)N1C(=O)CCl)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587541949 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccn2c1Br ZINC000587541975 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccn2c1Br ZINC000587541977 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccn2c1Br ZINC000587541979 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccn2c1Br ZINC000587541981 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn2c(Br)cccc2n1 ZINC000587542051 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn2c(Br)cccc2n1 ZINC000587542052 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn2c(Br)cccc2n1 ZINC000587542053 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn2c(Br)cccc2n1 ZINC000587542054 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)cc1Br ZINC000587542072 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)cc1Br ZINC000587542074 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)cc1Br ZINC000587542076 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)cc1Br ZINC000587542078 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587542102 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587542103 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Br ZINC000587542104 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Br ZINC000587542106 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587542138 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587542139 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587542140 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc([N+](=O)[O-])c1 ZINC000587542141 IJ Annotated Bother O=C(O)c1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587542158 IJ Annotated Anodyne O=C(O)c1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587542159 IJ Annotated Anodyne O=C(O)c1cc(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587542160 IJ Annotated Anodyne O=C(O)c1cc(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587542161 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(Cl)n1 ZINC000587542162 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(Cl)n1 ZINC000587542163 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(Cl)n1 ZINC000587542164 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(Cl)n1 ZINC000587542165 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1COc1cccc(Br)c1 ZINC000587542205 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1COc1cccc(Br)c1 ZINC000587542207 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1COc1cccc(Br)c1 ZINC000587542208 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1COc1cccc(Br)c1 ZINC000587542209 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn2c(Br)cnc12 ZINC000587542213 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn2c(Br)cnc12 ZINC000587542214 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn2c(Br)cnc12 ZINC000587542215 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn2c(Br)cnc12 ZINC000587542216 IJ Annotated Anodyne C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587542229 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587542230 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587542231 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587542232 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1Cl ZINC000587542267 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)cc1Cl ZINC000587542268 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1Cl ZINC000587542269 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)cc1Cl ZINC000587542270 IJ Annotated Anodyne COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587542300 IJ Annotated Reactive COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587542302 IJ Annotated Reactive COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587542304 IJ Annotated Reactive COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587542305 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000587542514 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000587542516 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000587542517 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1[N+](=O)[O-] ZINC000587542519 IJ Annotated Bother O=C(O)c1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542521 IJ Annotated Anodyne O=C(O)c1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542523 IJ Annotated Anodyne O=C(O)c1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542524 IJ Annotated Anodyne O=C(O)c1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542526 IJ Annotated Anodyne O=C1CCCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 ZINC000587542541 IJ Annotated Reactive O=C1CCCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 ZINC000587542542 IJ Annotated Reactive O=C1CCCc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 ZINC000587542543 IJ Annotated Reactive O=C1CCCc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 ZINC000587542544 IJ Annotated Reactive COc1ccc2c([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 ZINC000587542603 IJ Annotated Reactive COc1ccc2c([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 ZINC000587542607 IJ Annotated Reactive COc1ccc2c([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 ZINC000587542608 IJ Annotated Reactive COc1ccc2c([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 ZINC000587542610 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542678 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542679 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542680 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542681 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)c(Cl)c1)C(=O)O ZINC000587542748 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)c(Cl)c1)C(=O)O ZINC000587542750 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)c(Cl)c1)C(=O)O ZINC000587542752 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)c(Cl)c1)C(=O)O ZINC000587542753 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000587542791 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000587542794 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(CC(F)(F)F)nc1C1CC1 ZINC000587542802 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(CC(F)(F)F)nc1C1CC1 ZINC000587542809 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(CC(F)(F)F)nc1C1CC1 ZINC000587542811 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(CC(F)(F)F)nc1C1CC1 ZINC000587542812 IJ Annotated Anodyne CN(C)c1cccc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542828 IJ Annotated Anodyne CN(C)c1cccc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542834 IJ Annotated Anodyne CN(C)c1cccc(Br)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542835 IJ Annotated Anodyne CN(C)c1cccc(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542836 IJ Annotated Anodyne CN(C)c1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542848 IJ Annotated Anodyne CN(C)c1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542850 IJ Annotated Anodyne CN(C)c1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542851 IJ Annotated Anodyne CN(C)c1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542852 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1O ZINC000587542861 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1O ZINC000587542863 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1O ZINC000587542865 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1O ZINC000587542867 IJ Annotated Anodyne CN(C)c1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542984 IJ Annotated Anodyne CN(C)c1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542985 IJ Annotated Anodyne CN(C)c1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542986 IJ Annotated Anodyne CN(C)c1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542987 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(C(=O)O)(c1cccc(Cl)c1)C2 ZINC000587543015 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(C(=O)O)(c1cccc(Cl)c1)C2 ZINC000587543020 IJ Annotated Anodyne CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587543026 IJ Annotated Anodyne CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587543027 IJ Annotated Anodyne CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587543028 IJ Annotated Anodyne CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587543029 IJ Annotated Anodyne Cn1c(O)cc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587543072 IJ Annotated Reactive Cn1c(O)cc2cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587543077 IJ Annotated Reactive Cn1c(O)cc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587543078 IJ Annotated Reactive Cn1c(O)cc2cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587543082 IJ Annotated Reactive Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncc1Br ZINC000587543130 IJ Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncc1Br ZINC000587543132 IJ Annotated Anodyne Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncc1Br ZINC000587543135 IJ Annotated Anodyne Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncc1Br ZINC000587543137 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cnc1Cl ZINC000587543192 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cnc1Cl ZINC000587543195 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cnc1Cl ZINC000587543198 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cnc1Cl ZINC000587543199 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2cc(Br)ccc12 ZINC000587543201 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2cc(Br)ccc12 ZINC000587543204 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2cc(Br)ccc12 ZINC000587543208 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2cc(Br)ccc12 ZINC000587543213 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1N1CCOCC1 ZINC000587543569 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cccc1N1CCOCC1 ZINC000587543570 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1N1CCOCC1 ZINC000587543571 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cccc1N1CCOCC1 ZINC000587543572 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccc(Br)cn12 ZINC000587543639 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccc(Br)cn12 ZINC000587543642 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccc(Br)cn12 ZINC000587543645 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccc(Br)cn12 ZINC000587543647 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c2c(c1)OCO2 ZINC000587543694 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c2c(c1)OCO2 ZINC000587543695 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c2c(c1)OCO2 ZINC000587543696 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c2c(c1)OCO2 ZINC000587543697 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn2cc(Br)nc12 ZINC000587543725 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn2cc(Br)nc12 ZINC000587543726 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn2cc(Br)nc12 ZINC000587543727 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn2cc(Br)nc12 ZINC000587543728 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2[nH]nc(Br)c2c1 ZINC000587543744 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2[nH]nc(Br)c2c1 ZINC000587543745 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2[nH]nc(Br)c2c1 ZINC000587543746 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2[nH]nc(Br)c2c1 ZINC000587543747 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)c(Cl)c1 ZINC000587544211 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)c(Cl)c1 ZINC000587544213 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)c(Cl)c1 ZINC000587544215 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)c(Cl)c1 ZINC000587544217 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cc(Br)ncc12 ZINC000587544245 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cc(Br)ncc12 ZINC000587544246 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544247 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cc(Br)ncc12 ZINC000587544249 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cc(Br)ncc12 ZINC000587544251 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544258 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544260 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544261 IJ Annotated Anodyne CC1(C)C(=O)Nc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587544313 IJ Annotated Reactive CC1(C)C(=O)Nc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587544315 IJ Annotated Reactive CC1(C)C(=O)Nc2ccc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587544317 IJ Annotated Reactive CC1(C)C(=O)Nc2ccc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587544319 IJ Annotated Reactive Nc1ccc2c(c1Br)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544341 IJ Annotated Anodyne Nc1ccc2c(c1Br)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544346 IJ Annotated Anodyne Nc1ccc2c(c1Br)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544347 IJ Annotated Anodyne Nc1ccc2c(c1Br)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544348 IJ Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)cc3)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544427 IJ Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)cc3)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544428 IJ Annotated Anodyne C[C@]1(c2cn(Cc3ccc(Cl)cc3)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544430 IJ Annotated Anodyne C[C@]1(c2cn(Cc3ccc(Cl)cc3)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544431 IJ Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544446 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544448 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544450 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544453 IJ Annotated Reactive COc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587544671 IJ Annotated Reactive COc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587544690 IJ Annotated Reactive COc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587544693 IJ Annotated Reactive COc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587544698 IJ Annotated Reactive N#Cc1c(CCl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n2ccccc12 ZINC000587544752 IJ Annotated Reactive N#Cc1c(CCl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n2ccccc12 ZINC000587544753 IJ Annotated Reactive N#Cc1c(CCl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n2ccccc12 ZINC000587544754 IJ Annotated Reactive N#Cc1c(CCl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n2ccccc12 ZINC000587544755 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(N2CCCC2=O)cc1 ZINC000587544809 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(N2CCCC2=O)cc1 ZINC000587544810 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(N2CCCC2=O)cc1 ZINC000587544811 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(N2CCCC2=O)cc1 ZINC000587544813 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544815 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544817 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544819 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544820 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(Br)cnc2o1 ZINC000587544833 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(Br)cnc2o1 ZINC000587544834 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(Br)cnc2o1 ZINC000587544835 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(Br)cnc2o1 ZINC000587544836 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cc(Br)cnc12 ZINC000587544985 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cc(Br)cnc12 ZINC000587544986 IJ Annotated Anodyne C[C@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545016 IJ Annotated Bother C[C@@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545017 IJ Annotated Bother C[C@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545018 IJ Annotated Bother C[C@@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545019 IJ Annotated Bother Nc1ccc(Cl)cc1[C@@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545091 IJ Annotated Anodyne Nc1ccc(Cl)cc1[C@@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545092 IJ Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545094 IJ Annotated Anodyne Nc1ccc(Cl)cc1[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545096 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cc(Br)cnc12 ZINC000587545387 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cc(Br)cnc12 ZINC000587545388 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc(Br)ccc12 ZINC000587545454 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1cc(Br)ccc12 ZINC000587545455 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc(Br)ccc12 ZINC000587545456 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1cc(Br)ccc12 ZINC000587545457 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ncccn1 ZINC000587545530 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ncccn1 ZINC000587545532 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ncccn1 ZINC000587545534 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ncccn1 ZINC000587545535 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000587545655 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000587545656 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587545701 IJ Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587545702 IJ Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587545703 IJ Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587545704 IJ Annotated Mild C[C@]1(c2ccc(-n3cncn3)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545835 IJ Annotated Anodyne C[C@]1(c2ccc(-n3cncn3)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545839 IJ Annotated Anodyne C[C@@]1(c2ccc(-n3cncn3)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545841 IJ Annotated Anodyne C[C@@]1(c2ccc(-n3cncn3)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545842 IJ Annotated Anodyne CC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587545918 IJ Annotated Reactive CC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587545919 IJ Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587545920 IJ Annotated Reactive CC(=O)c1c(C)[nH]c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587545921 IJ Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545934 IJ Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545935 IJ Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545936 IJ Annotated Reactive CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545937 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn2ccc(Br)cc2n1 ZINC000587545946 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn2ccc(Br)cc2n1 ZINC000587545947 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn2ccc(Br)cc2n1 ZINC000587545948 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn2ccc(Br)cc2n1 ZINC000587545949 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1nnc(-c2ccccc2)o1 ZINC000587546035 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1nnc(-c2ccccc2)o1 ZINC000587546036 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1nnc(-c2ccccc2)o1 ZINC000587546037 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1nnc(-c2ccccc2)o1 ZINC000587546038 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c2c(c1)CCO2 ZINC000587546102 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c2c(c1)CCO2 ZINC000587546104 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c2c(c1)CCO2 ZINC000587546105 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c2c(c1)CCO2 ZINC000587546106 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c(Br)cccc12 ZINC000587546115 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c(Br)cccc12 ZINC000587546117 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(Br)cccc12 ZINC000587546119 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(Br)cccc12 ZINC000587546120 IJ Annotated Anodyne COCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587546214 IJ Annotated Reactive COCCn1c(C)cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587546215 IJ Annotated Reactive COCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587546216 IJ Annotated Reactive COCCn1c(C)cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587546217 IJ Annotated Reactive CC(=O)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546249 IJ Annotated Anodyne CC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546253 IJ Annotated Anodyne CC(=O)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546255 IJ Annotated Anodyne CC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546256 IJ Annotated Anodyne N#CC[C@]1(c2ccc(Br)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546352 IJ Annotated Mild N#CC[C@@]1(c2ccc(Br)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546360 IJ Annotated Mild N#CC[C@@]1(c2ccc(Br)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546362 IJ Annotated Mild N#CC[C@]1(c2ccc(Br)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546364 IJ Annotated Mild C[C@@]1(c2ccccc2NC(=O)CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546398 IJ Annotated Reactive C[C@@]1(c2ccccc2NC(=O)CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546403 IJ Annotated Reactive C[C@]1(c2ccccc2NC(=O)CCCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546404 IJ Annotated Reactive C[C@]1(c2ccccc2NC(=O)CCCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546405 IJ Annotated Reactive COC[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546417 IJ Annotated Anodyne COC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546419 IJ Annotated Anodyne COC[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546421 IJ Annotated Anodyne COC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546422 IJ Annotated Anodyne CN(C)/C=C(/C#N)[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546443 IJ Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546445 IJ Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546446 IJ Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546448 IJ Annotated Reactive N#C[C@H](c1ccc(Br)cc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546489 IJ Annotated Mild N#C[C@H](c1ccc(Br)cc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546498 IJ Annotated Mild N#C[C@H](c1ccc(Br)cc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546499 IJ Annotated Mild N#C[C@H](c1ccc(Br)cc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546500 IJ Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)nc1Cl ZINC000587546524 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)nc1Cl ZINC000587546525 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)nc1Cl ZINC000587546526 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)nc1Cl ZINC000587546527 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ncc(Br)cc12 ZINC000587546532 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ncc(Br)cc12 ZINC000587546533 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ncc(Br)cc12 ZINC000587546534 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ncc(Br)cc12 ZINC000587546535 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ncc1Cl ZINC000587546581 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ncc1Cl ZINC000587546582 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ncc1Cl ZINC000587546583 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ncc1Cl ZINC000587546585 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Cl)c1)C1CCNCC1 ZINC000587546653 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Cl)c1)C1CCNCC1 ZINC000587546656 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Cl)c1)C1CCNCC1 ZINC000587546659 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Cl)c1)C1CCNCC1 ZINC000587546662 IJ Annotated Anodyne Cc1cc(Br)cnc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546681 IJ Annotated Anodyne Cc1cc(Br)cnc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546682 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(Br)=COc1ccccc12 ZINC000587546733 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(Br)=COc1ccccc12 ZINC000587546735 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(Br)=COc1ccccc12 ZINC000587546738 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(Br)=COc1ccccc12 ZINC000587546740 IJ Annotated Anodyne Cn1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587546761 IJ Annotated Anodyne Cn1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587546763 IJ Annotated Anodyne Cn1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587546765 IJ Annotated Anodyne Cn1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587546766 IJ Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546857 IJ Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546863 IJ Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546865 IJ Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546867 IJ Annotated Reactive CCC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546875 IJ Annotated Reactive CCC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546876 IJ Annotated Reactive CCC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546877 IJ Annotated Reactive CCC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546878 IJ Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546916 IJ Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546918 IJ Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546920 IJ Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546922 IJ Annotated Reactive Cc1cc(Br)cnc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547100 IJ Annotated Anodyne Cc1cc(Br)cnc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547101 IJ Annotated Anodyne CCc1c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c(C)c1C(C)=O ZINC000587547216 IJ Annotated Reactive CCc1c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c(C)c1C(C)=O ZINC000587547219 IJ Annotated Reactive CCc1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c(C)c1C(C)=O ZINC000587547222 IJ Annotated Reactive CCc1c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c(C)c1C(C)=O ZINC000587547225 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2ccc(Br)cc12 ZINC000587547279 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2ccc(Br)cc12 ZINC000587547281 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2ccc(Br)cc12 ZINC000587547283 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2ccc(Br)cc12 ZINC000587547285 IJ Annotated Anodyne C[C@@]1(c2ccc(NC(=O)CCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547366 IJ Annotated Reactive C[C@@]1(c2ccc(NC(=O)CCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547367 IJ Annotated Reactive C[C@]1(c2ccc(NC(=O)CCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547368 IJ Annotated Reactive C[C@]1(c2ccc(NC(=O)CCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547369 IJ Annotated Reactive Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1-c1cccc(Cl)c1 ZINC000587547519 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1-c1cccc(Cl)c1 ZINC000587547526 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1-c1cccc(Cl)c1 ZINC000587547528 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1-c1cccc(Cl)c1 ZINC000587547530 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ncc(Br)cc2o1 ZINC000587547725 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ncc(Br)cc2o1 ZINC000587547727 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ncc(Br)cc2o1 ZINC000587547729 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ncc(Br)cc2o1 ZINC000587547731 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547732 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547734 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCNc1c(Br)cccc12 ZINC000587547774 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCNc1c(Br)cccc12 ZINC000587547775 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCNc1c(Br)cccc12 ZINC000587547776 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCNc1c(Br)cccc12 ZINC000587547777 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547789 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547791 IJ Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547883 IJ Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547895 IJ Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547896 IJ Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547898 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccnc1Br ZINC000587548059 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccnc1Br ZINC000587548060 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccnc1Br ZINC000587548061 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccnc1Br ZINC000587548062 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=COc1ccc(Br)cc12 ZINC000587548104 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=COc1ccc(Br)cc12 ZINC000587548108 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=COc1ccc(Br)cc12 ZINC000587548110 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=COc1ccc(Br)cc12 ZINC000587548112 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cnc1Br ZINC000587548153 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cnc1Br ZINC000587548154 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cnc1Br ZINC000587548155 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cnc1Br ZINC000587548156 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCNc1ccc(Br)cc12 ZINC000587548602 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCNc1ccc(Br)cc12 ZINC000587548604 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCNc1ccc(Br)cc12 ZINC000587548609 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCNc1ccc(Br)cc12 ZINC000587548616 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(Cc2ccccc2Cl)c1 ZINC000587548790 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCNc1cccc(Br)c12 ZINC000587548791 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(Cc2ccccc2Cl)c1 ZINC000587548793 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(Cc2ccccc2Cl)c1 ZINC000587548794 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCNc1cccc(Br)c12 ZINC000587548796 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(Cc2ccccc2Cl)c1 ZINC000587548797 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCNc1cccc(Br)c12 ZINC000587548799 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCNc1cccc(Br)c12 ZINC000587548804 IJ Annotated Anodyne Cn1ccnc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548912 IJ Annotated Anodyne Cn1ccnc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548916 IJ Annotated Anodyne Cn1ccnc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548919 IJ Annotated Anodyne Cn1ccnc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548921 IJ Annotated Anodyne C[C@@]1(c2ccc(NC(=O)C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548959 IJ Annotated Anodyne C[C@@]1(c2ccc(NC(=O)C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548963 IJ Annotated Anodyne C[C@]1(c2ccc(NC(=O)C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548965 IJ Annotated Anodyne C[C@]1(c2ccc(NC(=O)C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548967 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(NC(=O)C(F)(F)F)c1 ZINC000587549049 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(NC(=O)C(F)(F)F)c1 ZINC000587549050 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(NC(=O)C(F)(F)F)c1 ZINC000587549051 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(NC(=O)C(F)(F)F)c1 ZINC000587549052 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Br)cc1Cl ZINC000587549726 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Br)cc1Cl ZINC000587549728 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Br)cc1Cl ZINC000587549729 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Br)cc1Cl ZINC000587549731 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ncc1Br ZINC000587549739 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ncc1Br ZINC000587549740 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ncc1Br ZINC000587549741 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ncc1Br ZINC000587549742 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2nccc(Br)c12 ZINC000587549845 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2nccc(Br)c12 ZINC000587549846 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2nccc(Br)c12 ZINC000587549847 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2nccc(Br)c12 ZINC000587549849 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1cncnc1 ZINC000587550002 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1cncnc1 ZINC000587550003 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cncnc1 ZINC000587550004 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cncnc1 ZINC000587550005 IJ Annotated Anodyne COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550006 IJ Annotated Bother COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550007 IJ Annotated Bother COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550008 IJ Annotated Bother COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550009 IJ Annotated Bother COc1cc(Cl)cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587550230 IJ Annotated Anodyne COc1cc(Cl)cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587550231 IJ Annotated Anodyne COc1cc(Cl)cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587550232 IJ Annotated Anodyne COc1cc(Cl)cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587550233 IJ Annotated Anodyne CC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550382 IJ Annotated Anodyne CC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550383 IJ Annotated Anodyne CC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550385 IJ Annotated Anodyne CC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550387 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(Cc2ccccc2)c1Cl ZINC000587550438 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(Cc2ccccc2)c1Cl ZINC000587550439 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(Cc2ccccc2)c1Cl ZINC000587550440 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(Cc2ccccc2)c1Cl ZINC000587550441 IJ Annotated Anodyne CN(C)/C=C(\C#N)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550512 IJ Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550513 IJ Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550514 IJ Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550515 IJ Annotated Reactive C[C@@]1(c2cccc(NC(=O)C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550658 IJ Annotated Anodyne C[C@@]1(c2cccc(NC(=O)C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550659 IJ Annotated Anodyne C[C@]1(c2cccc(NC(=O)C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550660 IJ Annotated Anodyne C[C@]1(c2cccc(NC(=O)C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550661 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550797 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550798 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550799 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550800 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1cnccn1 ZINC000587550958 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1cnccn1 ZINC000587550960 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cnccn1 ZINC000587550961 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1cnccn1 ZINC000587550962 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)C1CCNCC1 ZINC000587550989 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)C1CCNCC1 ZINC000587550990 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)C1CCNCC1 ZINC000587550992 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)C1CCNCC1 ZINC000587550994 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(Cl)cn1 ZINC000587551120 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(Cl)cn1 ZINC000587551121 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(Cl)cn1 ZINC000587551122 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(Cl)cn1 ZINC000587551123 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1-c1ccc(Cl)cc1 ZINC000587551449 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1-c1ccc(Cl)cc1 ZINC000587551450 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nnn1-c1ccc(Cl)cc1 ZINC000587551451 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nnn1-c1ccc(Cl)cc1 ZINC000587551452 IJ Annotated Anodyne O=C1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)cc(Cl)c2O1 ZINC000587551457 IJ Annotated Anodyne O=C1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)cc(Cl)c2O1 ZINC000587551458 IJ Annotated Anodyne O=C1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)cc(Cl)c2O1 ZINC000587551459 IJ Annotated Anodyne O=C1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)cc(Cl)c2O1 ZINC000587551460 IJ Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551649 IJ Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551650 IJ Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551651 IJ Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Cl)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551652 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(Cl)c(Cl)cc12 ZINC000587551883 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(Cl)c(Cl)cc12 ZINC000587551884 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(Cl)c(Cl)cc12 ZINC000587551885 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(Cl)c(Cl)cc12 ZINC000587551886 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(Cl)cc(Cl)c12 ZINC000587551959 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(Cl)cc(Cl)c12 ZINC000587551960 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(Cl)cc(Cl)c12 ZINC000587551961 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(Cl)cc(Cl)c12 ZINC000587551962 IJ Annotated Anodyne Cc1nn(-c2ccccn2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551995 IJ Annotated Anodyne Cc1nn(-c2ccccn2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551996 IJ Annotated Anodyne Cc1nn(-c2ccccn2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551997 IJ Annotated Anodyne Cc1nn(-c2ccccn2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551998 IJ Annotated Anodyne O=C(O)c1[nH]c2ccc(Cl)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552023 IJ Annotated Anodyne O=C(O)c1[nH]c2ccc(Cl)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552024 IJ Annotated Anodyne O=C(O)c1[nH]c2ccc(Cl)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552025 IJ Annotated Anodyne O=C(O)c1[nH]c2ccc(Cl)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552026 IJ Annotated Anodyne Cc1cc(Cl)nc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587552131 IJ Annotated Anodyne Cc1cc(Cl)nc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587552132 IJ Annotated Anodyne Cc1cc(Cl)nc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587552133 IJ Annotated Anodyne Cc1cc(Cl)nc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587552134 IJ Annotated Anodyne CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)cc(Cl)c21 ZINC000587552139 IJ Annotated Anodyne CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)cc(Cl)c21 ZINC000587552140 IJ Annotated Anodyne CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)cc(Cl)c21 ZINC000587552141 IJ Annotated Anodyne CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)cc(Cl)c21 ZINC000587552142 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Cl)ccc(Cl)c12 ZINC000587552165 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Cl)ccc(Cl)c12 ZINC000587552166 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Cl)ccc(Cl)c12 ZINC000587552167 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Cl)ccc(Cl)c12 ZINC000587552168 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(C(F)(F)F)nc2sccn12 ZINC000587552565 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(C(F)(F)F)nc2sccn12 ZINC000587552566 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(C(F)(F)F)nc2sccn12 ZINC000587552567 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(C(F)(F)F)nc2sccn12 ZINC000587552568 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccnc-2[nH]cc1C(F)(F)F ZINC000587552743 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c2ccnc-2[nH]cc1C(F)(F)F ZINC000587552744 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c2ccnc-2[nH]cc1C(F)(F)F ZINC000587552745 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccnc-2[nH]cc1C(F)(F)F ZINC000587552746 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(F)F ZINC000587553010 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(F)F ZINC000587553012 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(F)F ZINC000587553014 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(F)F ZINC000587553016 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(F)c(F)c1O ZINC000587553072 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(F)c(F)c1O ZINC000587553073 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(F)c(F)c1O ZINC000587553074 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(F)c(F)c1O ZINC000587553075 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccnc(C(F)(F)F)c12 ZINC000587553131 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccnc(C(F)(F)F)c12 ZINC000587553135 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccnc(C(F)(F)F)c12 ZINC000587553138 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccnc(C(F)(F)F)c12 ZINC000587553141 IJ Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Cl)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553776 IJ Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Cl)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553782 IJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Cl)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553784 IJ Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Cl)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553785 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC(F)F ZINC000587554285 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC(F)F ZINC000587554313 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC(F)F ZINC000587554314 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC(F)F ZINC000587554315 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(F)c1O ZINC000587554703 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(F)c1O ZINC000587554705 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(F)c1O ZINC000587554706 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(F)c1O ZINC000587554708 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccc(F)c(F)c1 ZINC000587554810 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccc(F)c(F)c1 ZINC000587554817 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccc(F)c(F)c1 ZINC000587554820 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccc(F)c(F)c1 ZINC000587554823 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554825 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554832 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554834 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554836 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ncnc1N1CCCCC1 ZINC000587554878 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ncnc1N1CCCCC1 ZINC000587554883 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ncnc1N1CCCCC1 ZINC000587554885 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ncnc1N1CCCCC1 ZINC000587554888 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Cl)cc(Cl)cc12 ZINC000587554916 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Cl)cc(Cl)cc12 ZINC000587554917 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(Cl)cc(Cl)cc12 ZINC000587554918 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(Cl)cc(Cl)cc12 ZINC000587554922 IJ Annotated Anodyne C#C[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555199 IJ Annotated Mild C#C[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555209 IJ Annotated Mild C#C[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555210 IJ Annotated Mild C#C[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555211 IJ Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c2ccc(Cl)c1Cl ZINC000587555219 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c2ccc(Cl)c1Cl ZINC000587555222 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c2ccc(Cl)c1Cl ZINC000587555225 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c2ccc(Cl)c1Cl ZINC000587555230 IJ Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(F)F ZINC000587555410 IJ Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(F)F ZINC000587555411 IJ Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(F)F ZINC000587555412 IJ Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(F)F ZINC000587555413 IJ Annotated Anodyne C[C@@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555524 IJ Annotated Bother C[C@@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555526 IJ Annotated Bother C[C@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555527 IJ Annotated Bother C[C@]1(Cc2c([N+](=O)[O-])ccc(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555528 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)ccc1F ZINC000587555673 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)ccc1F ZINC000587555676 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)ccc1F ZINC000587555678 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)ccc1F ZINC000587555679 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1cc(F)ccc1F ZINC000587555950 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1cc(F)ccc1F ZINC000587555951 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1cc(F)ccc1F ZINC000587555952 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1cc(F)ccc1F ZINC000587555953 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1ncc(C(F)(F)F)cc12 ZINC000587555960 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1ncc(C(F)(F)F)cc12 ZINC000587555966 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1ncc(C(F)(F)F)cc12 ZINC000587555968 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1ncc(C(F)(F)F)cc12 ZINC000587555969 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556803 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556809 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587556811 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587556813 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(F)cc1O ZINC000587556874 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(F)cc1O ZINC000587556875 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(F)cc1O ZINC000587556876 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(F)cc1O ZINC000587556877 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000587557149 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000587557169 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000587557171 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000587557173 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cc(Br)cc1F ZINC000587557303 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cc(Br)cc1F ZINC000587557304 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)cc(Br)cc1F ZINC000587557305 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)cc(Br)cc1F ZINC000587557306 IJ Annotated Anodyne Cn1nc(C(F)(F)F)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587557395 IJ Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587557396 IJ Annotated Anodyne Cn1nc(C(F)(F)F)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587557398 IJ Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587557399 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1c(Cl)ccc(F)c1Cl ZINC000587557459 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1c(Cl)ccc(F)c1Cl ZINC000587557461 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1c(Cl)ccc(F)c1Cl ZINC000587557463 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1c(Cl)ccc(F)c1Cl ZINC000587557464 IJ Annotated Anodyne CC1(C)Cc2[nH]nc(C(F)(F)F)c2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587557514 IJ Annotated Anodyne CC1(C)Cc2[nH]nc(C(F)(F)F)c2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587557515 IJ Annotated Anodyne CC1(C)Cc2[nH]nc(C(F)(F)F)c2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587557516 IJ Annotated Anodyne CC1(C)Cc2[nH]nc(C(F)(F)F)c2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587557517 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(F)c1O ZINC000587557597 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(F)c1O ZINC000587557598 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(F)c1O ZINC000587557599 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(F)c1O ZINC000587557600 IJ Annotated Anodyne C[C@]1(c2ccc(SCC(=O)O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557624 IJ Annotated Anodyne C[C@]1(c2ccc(SCC(=O)O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557625 IJ Annotated Anodyne C[C@@]1(c2ccc(SCC(=O)O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557626 IJ Annotated Anodyne C[C@@]1(c2ccc(SCC(=O)O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557627 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(F)c1 ZINC000587557654 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(F)c1 ZINC000587557655 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(F)c1 ZINC000587557656 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(F)c1 ZINC000587557657 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)c(F)c1)C1CCNCC1 ZINC000587557908 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)c(F)c1)C1CCNCC1 ZINC000587557911 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)c(F)c1)C1CCNCC1 ZINC000587557912 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)c(F)c1)C1CCNCC1 ZINC000587557914 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)CC2(F)F ZINC000587558028 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(Cc1ccccc1)CC2(F)F ZINC000587558031 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)CC2(F)F ZINC000587558033 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(Cc1ccccc1)CC2(F)F ZINC000587558035 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558125 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558126 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558127 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558128 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(C2OCCO2)c1Cl ZINC000587558298 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(C2OCCO2)c1Cl ZINC000587558300 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(C2OCCO2)c1Cl ZINC000587558301 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(C2OCCO2)c1Cl ZINC000587558302 IJ Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587558510 IJ Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587558512 IJ Annotated Anodyne COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587558513 IJ Annotated Anodyne COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587558514 IJ Annotated Anodyne C[C@]1(Cn2nc(C(F)(F)F)cc2C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558873 IJ Annotated Anodyne C[C@@]1(Cn2nc(C(F)(F)F)cc2C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587558876 IJ Annotated Anodyne C[C@]1(Cn2nc(C(F)(F)F)cc2C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558878 IJ Annotated Anodyne C[C@@]1(Cn2nc(C(F)(F)F)cc2C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587558879 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ncc(C(F)(F)F)cc12 ZINC000587558938 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ncc(C(F)(F)F)cc12 ZINC000587558939 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ncc(C(F)(F)F)cc12 ZINC000587558940 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ncc(C(F)(F)F)cc12 ZINC000587558941 IJ Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(F)F ZINC000587558966 IJ Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(F)F ZINC000587558967 IJ Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCC(F)F ZINC000587558968 IJ Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCC(F)F ZINC000587558969 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559081 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559082 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559084 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559085 IJ Annotated Anodyne Nc1ccc2c(c1)[C@@]1(C=C(C(F)(F)F)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559223 IJ Annotated Anodyne Nc1ccc2c(c1)[C@]1(C=C(C(F)(F)F)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587559224 IJ Annotated Anodyne Nc1ccc2c(c1)[C@@]1(C=C(C(F)(F)F)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559225 IJ Annotated Anodyne Nc1ccc2c(c1)[C@]1(C=C(C(F)(F)F)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587559226 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cccc1F ZINC000587559339 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cccc1F ZINC000587559340 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)cccc1F ZINC000587559341 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)cccc1F ZINC000587559342 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(O)c(Br)c1 ZINC000587559366 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(O)c(Br)c1 ZINC000587559367 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(O)c(Br)c1 ZINC000587559368 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(O)c(Br)c1 ZINC000587559369 IJ Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@H]1CC[C@@]2(C)O ZINC000587560103 IJ Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000587560104 IJ Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CC[C@@]2(C)O ZINC000587560105 IJ Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000587560106 IJ Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@]12C ZINC000587560336 IJ Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587561489 IJ Annotated Anodyne C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587562257 IJ Annotated Mild C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587562258 IJ Annotated Mild COc1cc(C)ccc1OCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587563633 IJ Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587564206 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(COc4cccc(C)c4C)[nH]c3c2)cc1 ZINC000587564291 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3cccc(C)c3C)[nH]c2c1 ZINC000587564514 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3cc(C)cc(C)c3)[nH]c2c1 ZINC000587564981 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc(C(C)(C)CC)cc3)[nH]c2c1 ZINC000587565536 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(COc3cccc(OCC(C)C)c3)nc2c1 ZINC000587566092 IJ Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587566143 IJ Annotated Clean O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1 ZINC000587566358 IJ Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587566461 IJ Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1 ZINC000587566504 IJ Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587566548 IJ Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587566569 IJ Annotated Anodyne CCOC(=O)Cc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587566636 IJ Annotated Anodyne CCOC(=O)Cc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587566638 IJ Annotated Anodyne CCOC(=O)Cc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587566640 IJ Annotated Anodyne CCOC(=O)Cc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587566643 IJ Annotated Anodyne COC(=O)c1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587566705 IJ Annotated Anodyne CCCOc1cccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587566724 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(I)c1 ZINC000587566870 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(I)c1 ZINC000587566874 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(I)c1 ZINC000587566875 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(I)c1 ZINC000587566876 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1F ZINC000587566936 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1F ZINC000587566937 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1F ZINC000587566938 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1F ZINC000587566939 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1I ZINC000587567093 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1I ZINC000587567094 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1I ZINC000587567095 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1I ZINC000587567096 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1F ZINC000587567116 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1F ZINC000587567117 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1F ZINC000587567118 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1F ZINC000587567119 IJ Annotated Reactive Cn1cc([C@@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O ZINC000587567668 IJ Annotated Anodyne Cn1cc([C@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O ZINC000587567669 IJ Annotated Anodyne Cn1cc([C@@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O ZINC000587567670 IJ Annotated Anodyne Cn1cc([C@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O ZINC000587567671 IJ Annotated Anodyne O=C(O)CCC1=COc2cc(F)ccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587567707 IJ Annotated Anodyne O=C(O)CCC1=COc2cc(F)ccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587567708 IJ Annotated Anodyne O=C(O)CCC1=COc2cc(F)ccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587567709 IJ Annotated Anodyne O=C(O)CCC1=COc2cc(F)ccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587567710 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(F)cc1 ZINC000587568058 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(F)cc1 ZINC000587568062 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(F)cc1 ZINC000587568065 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(F)cc1 ZINC000587568067 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC=C(NNc1ccc(F)cc1)C2 ZINC000587568194 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCC=C(NNc1ccc(F)cc1)C2 ZINC000587568201 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCC=C(NNc1ccc(F)cc1)C2 ZINC000587568204 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC=C(NNc1ccc(F)cc1)C2 ZINC000587568206 IJ Annotated Anodyne C[C@@]1(c2cc(Br)cnc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568252 IJ Annotated Anodyne C[C@]1(c2cc(Br)cnc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568255 IJ Annotated Anodyne C[C@]1(c2cc(Br)cnc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568257 IJ Annotated Anodyne C[C@@]1(c2cc(Br)cnc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568259 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568342 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568343 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568344 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568345 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(F)c1F ZINC000587568407 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(F)c1F ZINC000587568408 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(F)c1F ZINC000587568409 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(F)c1F ZINC000587568410 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)[C@H]1CC[C@@H](C(=O)O)C1 ZINC000587568521 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)[C@H]1CC[C@@H](C(=O)O)C1 ZINC000587568522 IJ Annotated Anodyne O=C(O)[C@@H]1CC[C@H]([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587568523 IJ Annotated Anodyne O=C(O)[C@@H]1CC[C@H]([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587568524 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568642 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568643 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568644 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568645 IJ Annotated Anodyne C[C@H](Oc1ccccc1)[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568703 IJ Annotated Anodyne C[C@H](Oc1ccccc1)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568710 IJ Annotated Anodyne C[C@H](Oc1ccccc1)[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568712 IJ Annotated Anodyne C[C@H](Oc1ccccc1)[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568713 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(Br)c1O ZINC000587568814 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(Br)c1O ZINC000587568815 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(Br)c1O ZINC000587568817 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(Br)c1O ZINC000587568819 IJ Annotated Anodyne CN1CCC([C@@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587568877 IJ Annotated Anodyne CN1CCC([C@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587568878 IJ Annotated Anodyne CN1CCC([C@@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587568879 IJ Annotated Anodyne CN1CCC([C@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587568880 IJ Annotated Anodyne Cn1cc(C(=O)c2ccccc2F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568881 IJ Annotated Anodyne Cn1cc(C(=O)c2ccccc2F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568882 IJ Annotated Anodyne Cn1cc(C(=O)c2ccccc2F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568883 IJ Annotated Anodyne Cn1cc(C(=O)c2ccccc2F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568884 IJ Annotated Anodyne C[C@]1(c2ccc(SCC(=O)O)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568890 IJ Annotated Anodyne C[C@]1(c2ccc(SCC(=O)O)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568891 IJ Annotated Anodyne C[C@@]1(c2ccc(SCC(=O)O)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568892 IJ Annotated Anodyne C[C@@]1(c2ccc(SCC(=O)O)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568893 IJ Annotated Anodyne C[C@]1(c2ncc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569126 IJ Annotated Anodyne C[C@@]1(c2ncc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569127 IJ Annotated Anodyne C[C@@]1(c2ncc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569128 IJ Annotated Anodyne C[C@]1(c2ncc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569129 IJ Annotated Anodyne CCOc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587569134 IJ Annotated Anodyne CCOc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587569135 IJ Annotated Anodyne CCOc1ccc([C@@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587569136 IJ Annotated Anodyne CCOc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587569138 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccc(F)cc1F ZINC000587569307 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccc(F)cc1F ZINC000587569308 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccc(F)cc1F ZINC000587569309 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccc(F)cc1F ZINC000587569310 IJ Annotated Anodyne C[C@]1(c2nc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569533 IJ Annotated Anodyne C[C@@]1(c2nc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569535 IJ Annotated Anodyne C[C@@]1(c2nc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569537 IJ Annotated Anodyne C[C@]1(c2nc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569539 IJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587569555 IJ Annotated Reactive CC(=O)Nc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587569557 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 ZINC000587569558 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 ZINC000587569559 IJ Annotated Reactive Cc1ccc([C@]2(/C(C#N)=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570195 IJ Annotated Reactive Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570196 IJ Annotated Reactive Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570364 IJ Annotated Reactive Cc1ccc([C@]2(/C(C#N)=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570366 IJ Annotated Reactive COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCCCC#N ZINC000587570506 IJ Annotated Mild COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCCCC#N ZINC000587570507 IJ Annotated Mild COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCCCC#N ZINC000587570508 IJ Annotated Mild COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCCCC#N ZINC000587570510 IJ Annotated Mild CN(C(=O)OC(C)(C)C)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587570569 IJ Annotated Anodyne CN(C(=O)OC(C)(C)C)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587570573 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)cc1 ZINC000587570701 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)cc1 ZINC000587570703 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)cc1 ZINC000587570705 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)cc1 ZINC000587570706 IJ Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570714 IJ Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570720 IJ Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570722 IJ Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570724 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(F)c1 ZINC000587570961 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(F)c1 ZINC000587570963 IJ Annotated Reactive C[C@]1(c2cc(Br)ncc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571305 IJ Annotated Anodyne C[C@@]1(c2cc(Br)ncc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571306 IJ Annotated Anodyne C[C@@]1(c2cc(Br)ncc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571308 IJ Annotated Anodyne C[C@]1(c2cc(Br)ncc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571309 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccc(F)cc1CCc1ncccc12 ZINC000587571314 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccc(F)cc1CCc1ncccc12 ZINC000587571315 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccc(F)cc1CCc1ncccc12 ZINC000587571316 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccc(F)cc1CCc1ncccc12 ZINC000587571319 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(F)c1 ZINC000587571333 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(F)c1 ZINC000587571334 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1 ZINC000587571363 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1 ZINC000587571364 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1 ZINC000587571365 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1 ZINC000587571366 IJ Annotated Reactive CCN(C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C ZINC000587571605 IJ Annotated Anodyne CCN(C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C ZINC000587571606 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)cc(F)c1 ZINC000587571746 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)cc(F)c1 ZINC000587571747 IJ Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)cc(F)c1 ZINC000587571748 IJ Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)cc(F)c1 ZINC000587571749 IJ Annotated Reactive CCN(C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C ZINC000587571791 IJ Annotated Anodyne CCN(C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C ZINC000587571792 IJ Annotated Anodyne CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(OCC#N)cc2O1 ZINC000587571833 IJ Annotated Mild CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(OCC#N)cc2O1 ZINC000587571834 IJ Annotated Mild CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(OCC#N)cc2O1 ZINC000587571835 IJ Annotated Mild CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(OCC#N)cc2O1 ZINC000587571836 IJ Annotated Mild C[C@]1(c2ncc(F)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571908 IJ Annotated Anodyne C[C@@]1(c2ncc(F)cc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571909 IJ Annotated Anodyne C[C@@]1(c2ncc(F)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571910 IJ Annotated Anodyne C[C@]1(c2ncc(F)cc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571911 IJ Annotated Anodyne C[C@@]1(c2ccc(C#N)cc2OCC2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572145 IJ Annotated Mild C[C@]1(c2ccc(C#N)cc2OCC2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572147 IJ Annotated Mild C[C@@]1(c2ccc(C#N)cc2OCC2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572148 IJ Annotated Mild C[C@]1(c2ccc(C#N)cc2OCC2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572150 IJ Annotated Mild CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572242 IJ Annotated Anodyne CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572243 IJ Annotated Anodyne CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572244 IJ Annotated Anodyne CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572245 IJ Annotated Anodyne Cn1cc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O ZINC000587572295 IJ Annotated Anodyne Cn1cc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O ZINC000587572296 IJ Annotated Anodyne Cn1cc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C=O ZINC000587572297 IJ Annotated Anodyne Cn1cc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C=O ZINC000587572298 IJ Annotated Anodyne Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572307 IJ Annotated Anodyne Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572308 IJ Annotated Anodyne Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572309 IJ Annotated Anodyne Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572310 IJ Annotated Anodyne CCN(C)C(=O)Oc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572433 IJ Annotated Anodyne CCN(C)C(=O)Oc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572434 IJ Annotated Anodyne CCN(C)C(=O)Oc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587572435 IJ Annotated Anodyne CCN(C)C(=O)Oc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587572436 IJ Annotated Anodyne CC(C)(C)OC(=O)N(C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(C)(C)C ZINC000587572470 IJ Annotated Anodyne CC(C)(C)OC(=O)N(C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(C)(C)C ZINC000587572471 IJ Annotated Anodyne CC(C)(C)OC(=O)N(C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(C)(C)C ZINC000587572472 IJ Annotated Anodyne CC(C)(C)OC(=O)N(C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(C)(C)C ZINC000587572473 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)cc1)C1CCOCC1 ZINC000587572635 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)cc1)C1CCOCC1 ZINC000587572636 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(F)cc1)C1CCOCC1 ZINC000587572637 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(F)cc1)C1CCOCC1 ZINC000587572638 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000587573001 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000587573003 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000587573005 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000587573007 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccccc1[N+](=O)[O-] ZINC000587573064 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccccc1[N+](=O)[O-] ZINC000587573067 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccccc1[N+](=O)[O-] ZINC000587573068 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccccc1[N+](=O)[O-] ZINC000587573069 IJ Annotated Bother O=C(O)CCC[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573355 IJ Annotated Anodyne O=C(O)CCC[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573358 IJ Annotated Anodyne O=C(O)CCC[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573360 IJ Annotated Anodyne O=C(O)CCC[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573362 IJ Annotated Anodyne O=C(O)c1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573991 IJ Annotated Anodyne O=C(O)c1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573992 IJ Annotated Anodyne O=C(O)c1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573993 IJ Annotated Anodyne O=C(O)c1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573994 IJ Annotated Anodyne Cn1cc(C(=O)c2ccc(F)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574026 IJ Annotated Anodyne Cn1cc(C(=O)c2ccc(F)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574028 IJ Annotated Anodyne Cn1cc(C(=O)c2ccc(F)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574030 IJ Annotated Anodyne Cn1cc(C(=O)c2ccc(F)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574033 IJ Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccccn1 ZINC000587574150 IJ Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccccn1 ZINC000587574151 IJ Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccccn1 ZINC000587574152 IJ Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccccn1 ZINC000587574153 IJ Annotated Anodyne C[C@H]1CN(c2ccc(F)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C[C@@H](C)O1 ZINC000587574158 IJ Annotated Anodyne C[C@H]1CN(c2ccc(F)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C[C@@H](C)O1 ZINC000587574171 IJ Annotated Anodyne C[C@H]1CN(c2ccc(F)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C[C@@H](C)O1 ZINC000587574172 IJ Annotated Anodyne C[C@H]1CN(c2ccc(F)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C[C@@H](C)O1 ZINC000587574173 IJ Annotated Anodyne C=CCN(C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)OCc1ccccc1 ZINC000587574203 IJ Annotated Mild C=CCN(C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OCc1ccccc1 ZINC000587574205 IJ Annotated Mild C=CCN(C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OCc1ccccc1 ZINC000587574207 IJ Annotated Mild C=CCN(C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)OCc1ccccc1 ZINC000587574209 IJ Annotated Mild CCN(CC)C(=O)C1C[C@@H]2CCC[C@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574254 IJ Annotated Anodyne CCN(CC)C(=O)C1C[C@@H]2CCC[C@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574255 IJ Annotated Anodyne CCN(CC)CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574274 IJ Annotated Anodyne CCN(CC)CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574276 IJ Annotated Anodyne CCN(CC)CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574278 IJ Annotated Anodyne CCN(CC)CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574280 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cnn1-c1ccc(F)cc1 ZINC000587574413 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cnn1-c1ccc(F)cc1 ZINC000587574414 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cnn1-c1ccc(F)cc1 ZINC000587574415 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cnn1-c1ccc(F)cc1 ZINC000587574416 IJ Annotated Anodyne CC(=O)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C)cnc21 ZINC000587574457 IJ Annotated Anodyne CC(=O)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C)cnc21 ZINC000587574458 IJ Annotated Anodyne CC(=O)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C)cnc21 ZINC000587574459 IJ Annotated Anodyne CC(=O)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C)cnc21 ZINC000587574460 IJ Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574504 IJ Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574506 IJ Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574508 IJ Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574510 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1[C@@H](C(=O)O)c1ccccc1 ZINC000587574552 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1[C@H](C(=O)O)c1ccccc1 ZINC000587574557 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1[C@@H](C(=O)O)c1ccccc1 ZINC000587574558 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1[C@H](C(=O)O)c1ccccc1 ZINC000587574559 IJ Annotated Anodyne COc1ccccc1Cn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574560 IJ Annotated Anodyne COc1ccccc1Cn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574569 IJ Annotated Anodyne COc1ccccc1Cn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574570 IJ Annotated Anodyne COc1ccccc1Cn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574571 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000587574721 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000587574722 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000587574723 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000587574724 IJ Annotated Bother Cc1ccc(C(=O)c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n(C)c2)cc1 ZINC000587574744 IJ Annotated Anodyne Cc1ccc(C(=O)c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n(C)c2)cc1 ZINC000587574747 IJ Annotated Anodyne Cc1ccc(C(=O)c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n(C)c2)cc1 ZINC000587574749 IJ Annotated Anodyne Cc1ccc(C(=O)c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n(C)c2)cc1 ZINC000587574752 IJ Annotated Anodyne C[C@H](C(=O)O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574872 IJ Annotated Anodyne C[C@H](C(=O)O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574873 IJ Annotated Anodyne C[C@H](C(=O)O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574874 IJ Annotated Anodyne C[C@H](C(=O)O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574875 IJ Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575013 IJ Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575015 IJ Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575016 IJ Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575018 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587575115 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587575116 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587575117 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587575118 IJ Annotated Anodyne Cc1ccc([C@@]2(c3cc(C=O)n(C)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575219 IJ Annotated Anodyne Cc1ccc([C@]2(c3cc(C=O)n(C)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575220 IJ Annotated Anodyne Cc1ccc([C@]2(c3cc(C=O)n(C)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575221 IJ Annotated Anodyne Cc1ccc([C@@]2(c3cc(C=O)n(C)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575222 IJ Annotated Anodyne CN(C)CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575235 IJ Annotated Anodyne CN(C)CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575236 IJ Annotated Anodyne CN(C)CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575237 IJ Annotated Anodyne CN(C)CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575238 IJ Annotated Anodyne Cn1ccnc1[C@@]1(c2nccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575259 IJ Annotated Anodyne Cn1ccnc1[C@]1(c2nccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575260 IJ Annotated Anodyne Cn1ccnc1[C@]1(c2nccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575261 IJ Annotated Anodyne Cn1ccnc1[C@@]1(c2nccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575262 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCC1 ZINC000587575478 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCC1 ZINC000587575479 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCC1 ZINC000587575480 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCC1 ZINC000587575481 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575518 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575519 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575520 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575521 IJ Annotated Anodyne Cc1ccc([C@]2(CCn3ccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575598 IJ Annotated Anodyne Cc1ccc([C@@]2(CCn3ccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575599 IJ Annotated Anodyne Cc1ccc([C@]2(CCn3ccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575600 IJ Annotated Anodyne Cc1ccc([C@@]2(CCn3ccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575601 IJ Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587575738 IJ Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587575739 IJ Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587575740 IJ Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587575741 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1CC(=O)O ZINC000587575933 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1CC(=O)O ZINC000587575938 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1CC(=O)O ZINC000587575939 IJ Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1CC(=O)O ZINC000587575940 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000587575971 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000587575972 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000587575973 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000587575974 IJ Annotated Bother N/N=C(\c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576019 IJ Annotated Mild N/N=C(\c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576021 IJ Annotated Mild N/N=C(\c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576025 IJ Annotated Mild N/N=C(\c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576027 IJ Annotated Mild C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576042 IJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576043 IJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576044 IJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576045 IJ Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576046 IJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576047 IJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576048 IJ Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576049 IJ Annotated Anodyne CCN1CCC[C@@H]1Cn1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587576159 IJ Annotated Anodyne CCN1CCC[C@@H]1Cn1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587576163 IJ Annotated Anodyne CCN1CCC[C@@H]1Cn1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587576164 IJ Annotated Anodyne CCN1CCC[C@@H]1Cn1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587576166 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000587576200 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000587576202 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000587576205 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000587576208 IJ Annotated Bother O=C(O)c1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576316 IJ Annotated Anodyne O=C(O)c1ccc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576317 IJ Annotated Anodyne O=C(O)c1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576318 IJ Annotated Anodyne O=C(O)c1ccc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576319 IJ Annotated Anodyne CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc2O1 ZINC000587576360 IJ Annotated Bother CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc2O1 ZINC000587576362 IJ Annotated Bother CC(C)(C)OC(=O)Nc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576364 IJ Annotated Anodyne CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc2O1 ZINC000587576365 IJ Annotated Bother CC(C)(C)OC(=O)Nc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576366 IJ Annotated Anodyne CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc2O1 ZINC000587576367 IJ Annotated Bother CC(C)(C)OC(=O)Nc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576368 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576369 IJ Annotated Anodyne C[C@@]1(c2ccc(NC(=O)NC3CC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576461 IJ Annotated Anodyne Cn1cc(C(=O)c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576483 IJ Annotated Anodyne C[C@@]1(c2ccc(NC(=O)NC3CC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576485 IJ Annotated Anodyne C[C@]1(c2ccc(NC(=O)NC3CC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576487 IJ Annotated Anodyne C[C@]1(c2ccc(NC(=O)NC3CC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576489 IJ Annotated Anodyne Cn1cc(C(=O)c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576491 IJ Annotated Anodyne Cn1cc(C(=O)c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576493 IJ Annotated Anodyne Cn1cc(C(=O)c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576496 IJ Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576548 IJ Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576551 IJ Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576554 IJ Annotated Anodyne Cc1ccc2c(c1N)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576557 IJ Annotated Anodyne COC(=O)Cn1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587576607 IJ Annotated Clean COC(=O)Cn1c(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587576608 IJ Annotated Clean COC(=O)Cn1c(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587576609 IJ Annotated Clean COC(=O)Cn1c(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587576610 IJ Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000587576948 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000587576949 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000587576950 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000587576951 IJ Annotated Bother CC(C)(C)OC(=O)NCC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587577120 IJ Annotated Anodyne CC(C)(C)OC(=O)NCC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587577126 IJ Annotated Anodyne COc1ccc([C@]2(CCn3ccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587577137 IJ Annotated Anodyne COc1ccc([C@@]2(CCn3ccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587577139 IJ Annotated Anodyne COc1ccc([C@]2(CCn3ccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587577141 IJ Annotated Anodyne COc1ccc([C@@]2(CCn3ccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587577143 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587577186 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587577188 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587577190 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587577192 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587577194 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587577196 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587577197 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587577199 IJ Annotated Anodyne C[C@H](C(=O)O)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577205 IJ Annotated Anodyne C[C@H](C(=O)O)n1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577213 IJ Annotated Anodyne C[C@H](C(=O)O)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577216 IJ Annotated Anodyne C[C@H](C(=O)O)n1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577218 IJ Annotated Anodyne CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587577337 IJ Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587577339 IJ Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587577342 IJ Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587577345 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000587577347 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000587577350 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000587577352 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000587577354 IJ Annotated Bother Cc1ccc2c(c1N)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587577383 IJ Annotated Anodyne Cc1ccc2c(c1N)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587577386 IJ Annotated Anodyne Cc1ccc2c(c1N)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587577390 IJ Annotated Anodyne Cc1ccc2c(c1N)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587577393 IJ Annotated Anodyne Cc1cnc(NC(=O)C(C)(C)C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587577395 IJ Annotated Anodyne Cc1cnc(NC(=O)C(C)(C)C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587577397 IJ Annotated Anodyne Cc1cnc(NC(=O)C(C)(C)C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587577398 IJ Annotated Anodyne Cc1cnc(NC(=O)C(C)(C)C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587577399 IJ Annotated Anodyne COCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(OC)ccc21 ZINC000587577502 IJ Annotated Anodyne COCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(OC)ccc21 ZINC000587577505 IJ Annotated Anodyne COCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(OC)ccc21 ZINC000587577507 IJ Annotated Anodyne COCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(OC)ccc21 ZINC000587577509 IJ Annotated Anodyne COCCn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577600 IJ Annotated Anodyne COCCn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577606 IJ Annotated Anodyne COCCn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577610 IJ Annotated Anodyne COCCn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577614 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577638 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577641 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577644 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577646 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc2c(c1)OCO2 ZINC000587577680 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc2c(c1)OCO2 ZINC000587577687 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc2c(c1)OCO2 ZINC000587577689 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587577690 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc2c(c1)OCO2 ZINC000587577692 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587577693 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587577697 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587577700 IJ Annotated Anodyne COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577871 IJ Annotated Bother COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577873 IJ Annotated Bother COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577874 IJ Annotated Bother COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577875 IJ Annotated Bother Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1cccnc1 ZINC000587578064 IJ Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1cccnc1 ZINC000587578067 IJ Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1cccnc1 ZINC000587578068 IJ Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1cccnc1 ZINC000587578069 IJ Annotated Anodyne C[C@@]1(c2cn(CCC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578138 IJ Annotated Anodyne C[C@]1(c2cn(CCC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578140 IJ Annotated Anodyne C[C@@]1(c2cn(CCC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578142 IJ Annotated Anodyne C[C@]1(c2cn(CCC(=O)O)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578145 IJ Annotated Anodyne COC(=O)c1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578374 IJ Annotated Anodyne COC(=O)c1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578376 IJ Annotated Anodyne COC(=O)c1ccccc1-n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578378 IJ Annotated Anodyne COC(=O)c1ccccc1-n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578380 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1-n1cnc(C)c1 ZINC000587578427 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1-n1cnc(C)c1 ZINC000587578430 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1-n1cnc(C)c1 ZINC000587578434 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1-n1cnc(C)c1 ZINC000587578436 IJ Annotated Anodyne CCOC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578438 IJ Annotated Anodyne CCOC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578443 IJ Annotated Anodyne CCOC(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578446 IJ Annotated Anodyne CCOC(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587578449 IJ Annotated Anodyne Cc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587578703 IJ Annotated Bother Cc1ccc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587578704 IJ Annotated Bother Cc1ccc([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587578705 IJ Annotated Bother Cc1ccc([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587578706 IJ Annotated Bother Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578957 IJ Annotated Anodyne Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578960 IJ Annotated Anodyne Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578961 IJ Annotated Anodyne Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578962 IJ Annotated Anodyne C[C@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579129 IJ Annotated Clean C[C@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579130 IJ Annotated Clean C[C@@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579131 IJ Annotated Clean C[C@@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579132 IJ Annotated Clean CC(C)([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000587579140 IJ Annotated Bother CC(C)([C@H](C[N+](=O)[O-])c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579141 IJ Annotated Bother CC(C)([C@H](C[N+](=O)[O-])c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579142 IJ Annotated Bother CC(C)([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000587579143 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc2cc([N+](=O)[O-])ccc12 ZINC000587579378 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc2cc([N+](=O)[O-])ccc12 ZINC000587579379 IJ Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc2cc([N+](=O)[O-])ccc12 ZINC000587579380 IJ Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc2cc([N+](=O)[O-])ccc12 ZINC000587579381 IJ Annotated Bother CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579444 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579445 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579446 IJ Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579447 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579464 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579465 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579466 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579467 IJ Annotated Anodyne COc1ccc(Cn2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579574 IJ Annotated Anodyne COc1ccc(Cn2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579576 IJ Annotated Anodyne COc1ccc(Cn2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579578 IJ Annotated Anodyne COc1ccc(Cn2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579581 IJ Annotated Anodyne Cn1ccnc1COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579633 IJ Annotated Anodyne Cn1ccnc1COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579643 IJ Annotated Anodyne Cn1ccnc1COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579645 IJ Annotated Anodyne Cn1ccnc1COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579648 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579780 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579781 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579782 IJ Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579783 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579812 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579813 IJ Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579835 IJ Annotated Anodyne C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579837 IJ Annotated Anodyne C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579839 IJ Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579840 IJ Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1cccn1 ZINC000587579908 IJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1cccn1 ZINC000587579911 IJ Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1cccn1 ZINC000587579913 IJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1cccn1 ZINC000587579914 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc3c(c1)CCC3)CC2 ZINC000587579988 IJ Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc3c(c1)CCC3)CC2 ZINC000587579990 IJ Annotated Clean CN1CCC(N(C)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587580009 IJ Annotated Anodyne CN1CCC(N(C)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587580011 IJ Annotated Anodyne CN1CCC(N(C)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587580013 IJ Annotated Anodyne CN1CCC(N(C)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587580015 IJ Annotated Anodyne CNc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587580172 IJ Annotated Anodyne CNc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587580173 IJ Annotated Anodyne CNc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587580174 IJ Annotated Anodyne CNc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587580175 IJ Annotated Anodyne O=C(O)CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587580896 IJ Annotated Anodyne O=C(O)CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587580899 IJ Annotated Anodyne O=C(O)CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587580901 IJ Annotated Anodyne O=C(O)CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587580903 IJ Annotated Anodyne CCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580956 IJ Annotated Anodyne CCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580957 IJ Annotated Anodyne CCC[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580958 IJ Annotated Anodyne CCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580959 IJ Annotated Anodyne CCC[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580960 IJ Annotated Anodyne CCC[C@@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580961 IJ Annotated Anodyne CCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580962 IJ Annotated Anodyne CCC[C@]1([C@@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580963 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1CC2(C1)CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581017 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1CC2(C1)CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581019 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581133 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581135 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581136 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581138 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C ZINC000587581170 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C ZINC000587581172 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C ZINC000587581173 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C ZINC000587581176 IJ Annotated Anodyne CC(=O)Nc1ccc2nc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 ZINC000587581295 IJ Annotated Anodyne CC(=O)Nc1ccc2nc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 ZINC000587581296 IJ Annotated Anodyne CC(=O)Nc1ccc2nc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 ZINC000587581297 IJ Annotated Anodyne CC(=O)Nc1ccc2nc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 ZINC000587581298 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1nc3ccccc3o1)CC2 ZINC000587581315 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1nc3ccccc3o1)CC2 ZINC000587581316 IJ Annotated Anodyne Cc1nn(C)c(Oc2ccccc2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581510 IJ Annotated Anodyne Cc1nn(C)c(Oc2ccccc2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581511 IJ Annotated Anodyne Cc1nn(C)c(Oc2ccccc2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581512 IJ Annotated Anodyne Cc1nn(C)c(Oc2ccccc2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581513 IJ Annotated Anodyne C[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581536 IJ Annotated Anodyne C[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581537 IJ Annotated Anodyne C[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581538 IJ Annotated Anodyne C[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581540 IJ Annotated Anodyne CNc1cccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581899 IJ Annotated Clean CNc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581901 IJ Annotated Clean CNc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581903 IJ Annotated Clean CNc1cccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581905 IJ Annotated Clean CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587581957 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587581962 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587581964 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587581966 IJ Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(C#N)cc1 ZINC000587582024 IJ Annotated Mild Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(C#N)cc1 ZINC000587582031 IJ Annotated Mild Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccc(C#N)cc1 ZINC000587582032 IJ Annotated Mild Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccc(C#N)cc1 ZINC000587582033 IJ Annotated Mild C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000587582142 IJ Annotated Anodyne C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000587582143 IJ Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582144 IJ Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582145 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC1(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582168 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CC1(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582170 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC1(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582172 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC1(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582175 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 ZINC000587582256 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1 ZINC000587582258 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 ZINC000587582260 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1 ZINC000587582262 IJ Annotated Anodyne N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 ZINC000587582440 IJ Annotated Mild N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 ZINC000587582441 IJ Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 ZINC000587582442 IJ Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 ZINC000587582443 IJ Annotated Mild C[C@H]1C[C@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582532 IJ Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582533 IJ Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)N1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582534 IJ Annotated Anodyne C[C@@H]1CC2(C[C@@H](C)N1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582535 IJ Annotated Anodyne COc1ccccc1-c1nn(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582556 IJ Annotated Anodyne COc1ccccc1-c1nn(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582557 IJ Annotated Anodyne COc1ccccc1-c1nn(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582558 IJ Annotated Anodyne COc1ccccc1-c1nn(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582559 IJ Annotated Anodyne C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582678 IJ Annotated Anodyne C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582679 IJ Annotated Anodyne C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582680 IJ Annotated Anodyne C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582681 IJ Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582772 IJ Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582773 IJ Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582774 IJ Annotated Anodyne Cc1nn(Cc2ccccc2)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582775 IJ Annotated Anodyne CCn1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582780 IJ Annotated Anodyne CCn1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582781 IJ Annotated Anodyne CCn1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582782 IJ Annotated Anodyne CCn1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582783 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582866 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582867 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582868 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582869 IJ Annotated Anodyne CC1(C)CN(C(=O)OC(C)(C)C)C[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582912 IJ Annotated Anodyne CC1(C)CN(C(=O)OC(C)(C)C)C[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582913 IJ Annotated Anodyne CC1(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582914 IJ Annotated Anodyne CC1(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582915 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587583052 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587583054 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587583058 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587583060 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2O)cc1 ZINC000587583235 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2O)cc1 ZINC000587583236 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2O)cc1 ZINC000587583237 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2O)cc1 ZINC000587583238 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583268 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583270 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583271 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583272 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)C1 ZINC000587583314 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)C1 ZINC000587583315 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)C1 ZINC000587583316 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)C1 ZINC000587583317 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583794 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583795 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583796 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583797 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587583880 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587583882 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587583884 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587583885 IJ Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584026 IJ Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584027 IJ Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584028 IJ Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584029 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587584058 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587584059 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587584060 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587584061 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C)([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587584417 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C)([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587584418 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C)([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587584419 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C)([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587584420 IJ Annotated Anodyne C[C@@]1(c2ccc(Oc3ncccn3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584543 IJ Annotated Anodyne C[C@@]1(c2ccc(Oc3ncccn3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584544 IJ Annotated Anodyne C[C@]1(c2ccc(Oc3ncccn3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584545 IJ Annotated Anodyne C[C@]1(c2ccc(Oc3ncccn3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584546 IJ Annotated Anodyne CC[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584551 IJ Annotated Anodyne CC[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584552 IJ Annotated Anodyne CC[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584553 IJ Annotated Anodyne CC[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584554 IJ Annotated Anodyne CC1(C)CN(c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)C1=O ZINC000587584629 IJ Annotated Anodyne CC1(C)CN(c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)C1=O ZINC000587584630 IJ Annotated Anodyne CC1(C)CN(c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)C1=O ZINC000587584631 IJ Annotated Anodyne CC1(C)CN(c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)C1=O ZINC000587584632 IJ Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584653 IJ Annotated Anodyne C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584655 IJ Annotated Anodyne COc1ccccc1[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584700 IJ Annotated Anodyne COc1ccccc1[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584702 IJ Annotated Anodyne COc1ccccc1[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584703 IJ Annotated Anodyne COc1ccccc1[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584705 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(CCC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585071 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC2(CCC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585073 IJ Annotated Anodyne O=C(O)c1ccnc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587585208 IJ Annotated Anodyne O=C(O)c1ccnc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587585213 IJ Annotated Anodyne O=C(O)c1ccnc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587585219 IJ Annotated Anodyne O=C(O)c1ccnc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587585223 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(CO)n2)cc1 ZINC000587585250 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(CO)n2)cc1 ZINC000587585253 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cccc(CO)n2)cc1 ZINC000587585256 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cccc(CO)n2)cc1 ZINC000587585260 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585431 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585433 IJ Annotated Anodyne COc1cc(OC)c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc2c1 ZINC000587585555 IJ Annotated Anodyne COc1cc(OC)c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc2c1 ZINC000587585556 IJ Annotated Anodyne COc1cc(OC)c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc2c1 ZINC000587585557 IJ Annotated Anodyne COc1cc(OC)c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc2c1 ZINC000587585558 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585669 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585671 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585673 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585675 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 ZINC000587585845 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 ZINC000587585846 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 ZINC000587585847 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 ZINC000587585848 IJ Annotated Anodyne Cc1ccc(-c2noc(C[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 ZINC000587585891 IJ Annotated Anodyne Cc1ccc(-c2noc(C[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 ZINC000587585892 IJ Annotated Anodyne Cc1ccc(-c2noc(C[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1 ZINC000587585893 IJ Annotated Anodyne Cc1ccc(-c2noc(C[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1 ZINC000587585894 IJ Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585911 IJ Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585912 IJ Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585913 IJ Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585914 IJ Annotated Anodyne COc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(OC)nc2c1 ZINC000587585955 IJ Annotated Anodyne COc1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(OC)nc2c1 ZINC000587585956 IJ Annotated Anodyne COc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(OC)nc2c1 ZINC000587585957 IJ Annotated Anodyne COc1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(OC)nc2c1 ZINC000587585958 IJ Annotated Anodyne N=c1[nH]c2ccc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587586100 IJ Annotated Anodyne N=c1[nH]c2ccc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587586101 IJ Annotated Anodyne N=c1[nH]c2ccc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587586103 IJ Annotated Anodyne N=c1[nH]c2ccc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587586104 IJ Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587586120 IJ Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587586122 IJ Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587586124 IJ Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587586125 IJ Annotated Anodyne C[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586163 IJ Annotated Anodyne C[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586164 IJ Annotated Anodyne C[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587586165 IJ Annotated Anodyne C[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587586166 IJ Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586227 IJ Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586228 IJ Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586230 IJ Annotated Anodyne Cc1[nH]c2ccccc2c(=O)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586231 IJ Annotated Anodyne O=C(Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1cccnc1 ZINC000587586289 IJ Annotated Anodyne O=C(Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1cccnc1 ZINC000587586290 IJ Annotated Anodyne O=C(Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1cccnc1 ZINC000587586291 IJ Annotated Anodyne O=C(Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1cccnc1 ZINC000587586292 IJ Annotated Anodyne C[C@@]1(c2cccc(Oc3ncccn3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586566 IJ Annotated Anodyne C[C@@]1(c2cccc(Oc3ncccn3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586568 IJ Annotated Anodyne C[C@]1(c2cccc(Oc3ncccn3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586570 IJ Annotated Anodyne C[C@]1(c2cccc(Oc3ncccn3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586572 IJ Annotated Anodyne Cc1cncc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 ZINC000587586619 IJ Annotated Anodyne Cc1cncc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 ZINC000587586622 IJ Annotated Anodyne Cc1cncc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)n1 ZINC000587586624 IJ Annotated Anodyne Cc1cncc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)n1 ZINC000587586626 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)N(c1ccccc1)c1ccccc12 ZINC000587586627 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)N(c1ccccc1)c1ccccc12 ZINC000587586629 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(c1ccccc1)c1ccccc12 ZINC000587586631 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(c1ccccc1)c1ccccc12 ZINC000587586633 IJ Annotated Anodyne O=C(O)c1cc([C@@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587586744 IJ Annotated Anodyne O=C(O)c1cc([C@@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587586745 IJ Annotated Anodyne O=C(O)c1cc([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587586746 IJ Annotated Anodyne O=C(O)c1cc([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587586747 IJ Annotated Anodyne Cc1cncc(Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 ZINC000587586857 IJ Annotated Anodyne Cc1cncc(Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 ZINC000587586858 IJ Annotated Anodyne Cc1cncc(Oc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 ZINC000587586859 IJ Annotated Anodyne Cc1cncc(Oc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 ZINC000587586860 IJ Annotated Anodyne COc1ccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587586919 IJ Annotated Anodyne COc1ccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587586920 IJ Annotated Anodyne COc1ccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587586921 IJ Annotated Anodyne COc1ccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cc1 ZINC000587586922 IJ Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587587053 IJ Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587587055 IJ Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587587057 IJ Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587587059 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1Cc1ccccc1 ZINC000587587239 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1Cc1ccccc1 ZINC000587587243 IJ Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587587282 IJ Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587587286 IJ Annotated Anodyne Cn1cc(-c2cc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587587323 IJ Annotated Anodyne O=C(O)c1cncc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587587327 IJ Annotated Anodyne O=C(O)c1cncc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587587328 IJ Annotated Anodyne O=C(O)c1cncc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587587329 IJ Annotated Anodyne O=C(O)c1cncc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587587330 IJ Annotated Anodyne Cn1cc(-c2cc3ccccn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587587331 IJ Annotated Anodyne Cn1cc(-c2cc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587587333 IJ Annotated Anodyne Cn1cc(-c2cc3ccccn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587587336 IJ Annotated Anodyne CC(=O)Oc1cccc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 ZINC000587587339 IJ Annotated Anodyne CC(=O)Oc1cccc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 ZINC000587587340 IJ Annotated Anodyne CC(=O)Oc1cccc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)nc12 ZINC000587587342 IJ Annotated Anodyne CC(=O)Oc1cccc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)nc12 ZINC000587587343 IJ Annotated Anodyne COc1cccc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587629 IJ Annotated Anodyne COc1cccc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587631 IJ Annotated Anodyne COc1cccc([C@@]2(c3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587587633 IJ Annotated Anodyne COc1cccc([C@]2(c3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587587634 IJ Annotated Anodyne COc1ccc([C@]2(Cc3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587643 IJ Annotated Anodyne COc1ccc([C@@]2(Cc3cccnc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587648 IJ Annotated Anodyne COc1ccc([C@@]2(Cc3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587650 IJ Annotated Anodyne COc1ccc([C@]2(Cc3cccnc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587652 IJ Annotated Anodyne O=C(O)c1ncccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587770 IJ Annotated Anodyne O=C(O)c1ncccc1-c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587777 IJ Annotated Anodyne O=C(O)c1ncccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587587782 IJ Annotated Anodyne O=C(O)c1ncccc1-c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587587787 IJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587823 IJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587826 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587827 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587828 IJ Annotated Anodyne COc1cccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1 ZINC000587587840 IJ Annotated Anodyne COc1cccc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1 ZINC000587587841 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587843 IJ Annotated Anodyne COc1cccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)c1 ZINC000587587844 IJ Annotated Anodyne COc1cccc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)c1 ZINC000587587846 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587849 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587853 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587857 IJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588139 IJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588142 IJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588144 IJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588146 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588448 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588449 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588451 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588453 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]3(C[C@@H]21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587588986 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]3(C[C@@H]21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587588987 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]3(C[C@H]21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587588988 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]3(C[C@H]21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587588990 IJ Annotated Anodyne COC(=O)c1cc([C@@]2(C3CCCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587589012 IJ Annotated Anodyne COC(=O)c1cc([C@@]2(C3CCCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587589014 IJ Annotated Anodyne COC(=O)c1cc([C@]2(C3CCCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587589015 IJ Annotated Anodyne COC(=O)c1cc([C@]2(C3CCCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587589017 IJ Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589168 IJ Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589170 IJ Annotated Anodyne COc1ccc2nc(OC)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587589175 IJ Annotated Anodyne COc1ccc2nc(OC)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587589176 IJ Annotated Anodyne COc1ccc2nc(OC)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 ZINC000587589177 IJ Annotated Anodyne COc1ccc2nc(OC)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 ZINC000587589178 IJ Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589298 IJ Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589300 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ncc(-c2ccco2)[nH]1)c1ccco1 ZINC000587589378 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ncc(-c2ccco2)[nH]1)c1ccco1 ZINC000587589379 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ncc(-c2ccco2)[nH]1)c1ccco1 ZINC000587589381 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ncc(-c2ccco2)[nH]1)c1ccco1 ZINC000587589383 IJ Annotated Anodyne COc1ccc2[nH]cc([C@]3(CC#N)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587589415 IJ Annotated Mild COc1ccc2[nH]cc([C@@]3(CC#N)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587589418 IJ Annotated Mild COc1ccc2[nH]cc([C@]3(CC#N)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587589420 IJ Annotated Mild COc1ccc2[nH]cc([C@@]3(CC#N)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587589422 IJ Annotated Mild CCOC(=O)c1[nH]c2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589449 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589450 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589451 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589452 IJ Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589523 IJ Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589524 IJ Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589525 IJ Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589526 IJ Annotated Anodyne C[C@@]1(c2cnc3ccccc3c2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589567 IJ Annotated Anodyne C[C@@]1(c2cnc3ccccc3c2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589568 IJ Annotated Anodyne C[C@]1(c2cnc3ccccc3c2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589569 IJ Annotated Anodyne C[C@]1(c2cnc3ccccc3c2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589570 IJ Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587589725 IJ Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587589726 IJ Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587589727 IJ Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587589728 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccc2c(c1)CCO2 ZINC000587589933 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccc2c(c1)CCO2 ZINC000587589936 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccc2c(c1)CCO2 ZINC000587589938 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccc2c(c1)CCO2 ZINC000587589940 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nc2ncccn12 ZINC000587590119 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nc2ncccn12 ZINC000587590121 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nc2ncccn12 ZINC000587590122 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nc2ncccn12 ZINC000587590123 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590467 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590469 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590471 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590473 IJ Annotated Anodyne COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590644 IJ Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587590647 IJ Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590650 IJ Annotated Clean COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587590653 IJ Annotated Clean CCOC(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590677 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590683 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590685 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590686 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590918 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590919 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590920 IJ Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590921 IJ Annotated Anodyne COC(=O)C[C@@]1(c2c(C)cc(C)cc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591089 IJ Annotated Anodyne COC(=O)C[C@]1(c2c(C)cc(C)cc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591101 IJ Annotated Anodyne COC(=O)C[C@@]1(c2c(C)cc(C)cc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591104 IJ Annotated Anodyne COC(=O)C[C@]1(c2c(C)cc(C)cc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591107 IJ Annotated Anodyne O=C(O)c1cc([C@]2(C3CCCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587591230 IJ Annotated Anodyne O=C(O)c1cc([C@]2(C3CCCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587591232 IJ Annotated Anodyne O=C(O)c1cc([C@@]2(C3CCCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587591233 IJ Annotated Anodyne O=C(O)c1cc([C@@]2(C3CCCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587591234 IJ Annotated Anodyne COC(C)(Cc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587591696 IJ Annotated Anodyne COC(C)(Cc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587591697 IJ Annotated Anodyne COC(C)(Cc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587591698 IJ Annotated Anodyne COC(C)(Cc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587591699 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591710 IJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591715 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591717 IJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591719 IJ Annotated Anodyne COC(=O)c1ccc2c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 ZINC000587591774 IJ Annotated Anodyne COC(=O)c1ccc2c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 ZINC000587591777 IJ Annotated Anodyne COC(=O)c1ccc2c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 ZINC000587591781 IJ Annotated Anodyne COC(=O)c1ccc2c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 ZINC000587591783 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1)[C@H]1CCCNC1 ZINC000587591980 IJ Annotated Anodyne C[C@@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591992 IJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1)[C@@H]1CCCNC1 ZINC000587591993 IJ Annotated Anodyne C[C@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591994 IJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCc1ccccc1)[C@H]1CCCNC1 ZINC000587591995 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCc1ccccc1)[C@@H]1CCCNC1 ZINC000587591996 IJ Annotated Anodyne C[C@@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591997 IJ Annotated Clean C[C@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592000 IJ Annotated Clean CC(C)CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587592034 IJ Annotated Anodyne CC(C)CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587592035 IJ Annotated Anodyne CC(C)CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587592036 IJ Annotated Anodyne CC(C)CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587592037 IJ Annotated Anodyne COc1ccc(OC)c(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587592324 IJ Annotated Anodyne COc1ccc(OC)c(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587592325 IJ Annotated Anodyne COc1ccc(OC)c(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587592327 IJ Annotated Anodyne COc1ccc(OC)c(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587592330 IJ Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587592442 IJ Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587592444 IJ Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587592447 IJ Annotated Anodyne CCOc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587592449 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592453 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592460 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592462 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592466 IJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592739 IJ Annotated Anodyne COC(=O)C[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592740 IJ Annotated Anodyne COC(=O)C[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592741 IJ Annotated Anodyne COC(=O)C[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592742 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593005 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593007 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593009 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593011 IJ Annotated Anodyne N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCCC1 ZINC000587593162 IJ Annotated Mild N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCCC1 ZINC000587593164 IJ Annotated Mild N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCCCC1 ZINC000587593165 IJ Annotated Mild N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCCCC1 ZINC000587593166 IJ Annotated Mild CCOC(=O)CCC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587593407 IJ Annotated Anodyne CCOC(=O)CCC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587593408 IJ Annotated Anodyne CCOC(=O)CCC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587593409 IJ Annotated Anodyne CCOC(=O)CCC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587593410 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587593439 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587593440 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587593441 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587593442 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587593506 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587593507 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587593508 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587593509 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]1CN(Cc3ccccc3)C[C@H]12 ZINC000587593556 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1CN(Cc3ccccc3)C[C@@H]12 ZINC000587593557 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1CN(Cc3ccccc3)C[C@H]12 ZINC000587593558 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]1CN(Cc3ccccc3)C[C@@H]12 ZINC000587593559 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587593572 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587593573 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587593574 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587593575 IJ Annotated Anodyne CCCCOC1=C(OCCCC)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587593842 IJ Annotated Mild CCCCOC1=C(OCCCC)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587593845 IJ Annotated Mild CCCCOC1=C(OCCCC)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587593847 IJ Annotated Mild CCCCOC1=C(OCCCC)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587593849 IJ Annotated Mild CCOC(=O)[C@H](CC)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593928 IJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593929 IJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593931 IJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593932 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H](c1ccccc1)Nc1ccccc12 ZINC000587593954 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@@H](c1ccccc1)Nc1ccccc12 ZINC000587593955 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@H](c1ccccc1)Nc1ccccc12 ZINC000587593958 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](c1ccccc1)Nc1ccccc12 ZINC000587593962 IJ Annotated Anodyne O=C1Nc2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587593965 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593968 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593969 IJ Annotated Anodyne O=C1Nc2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587593970 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593971 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593972 IJ Annotated Anodyne O=C1Nc2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587593973 IJ Annotated Anodyne O=C1Nc2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587593974 IJ Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2=O)cc1 ZINC000587594071 IJ Annotated Anodyne Cc1ccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2=O)cc1 ZINC000587594073 IJ Annotated Anodyne Cc1ccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2=O)cc1 ZINC000587594074 IJ Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2=O)cc1 ZINC000587594076 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1CC[C@H](C2)N1Cc1ccccc1 ZINC000587594169 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1CC[C@H](C2)N1Cc1ccccc1 ZINC000587594170 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@@H](C2)N1Cc1ccccc1 ZINC000587594171 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C[C@@H]1CC[C@H](C2)N1Cc1ccccc1 ZINC000587594172 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@@H](C2)N1Cc1ccccc1 ZINC000587594173 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H]1CC[C@H](C2)N1Cc1ccccc1 ZINC000587594174 IJ Annotated Anodyne CCOC(=O)CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594343 IJ Annotated Anodyne CCOC(=O)CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594344 IJ Annotated Anodyne CCOC(=O)CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594345 IJ Annotated Anodyne CCOC(=O)CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594346 IJ Annotated Anodyne CC(C)(C)OC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594429 IJ Annotated Anodyne CC(C)(C)OC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594430 IJ Annotated Anodyne CC(C)(C)OC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594431 IJ Annotated Anodyne CC(C)(C)OC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594432 IJ Annotated Anodyne C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594632 IJ Annotated Anodyne C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594634 IJ Annotated Anodyne C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594636 IJ Annotated Anodyne C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594639 IJ Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN1CCCC1 ZINC000587594662 IJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CN1CCCC1 ZINC000587594664 IJ Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN1CCCC1 ZINC000587594674 IJ Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CN1CCCC1 ZINC000587594676 IJ Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594709 IJ Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594710 IJ Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594711 IJ Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594712 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587594731 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587594732 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587594733 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587594734 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594759 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594760 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594761 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594762 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594992 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594996 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594999 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587595001 IJ Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)c(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595082 IJ Annotated Anodyne C[C@]1(c2ccc(N3CCCCC3)c(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595084 IJ Annotated Anodyne C[C@@]1(c2ccc(N3CCCCC3)c(N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595085 IJ Annotated Anodyne C[C@]1(c2ccc(N3CCCCC3)c(N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595087 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595178 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595179 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595180 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595181 IJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587595242 IJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587595243 IJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587595244 IJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587595245 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)C(C)C ZINC000587595284 IJ Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)C(C)C ZINC000587595285 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)C(C)C ZINC000587595286 IJ Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)C(C)C ZINC000587595287 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595373 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595376 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595379 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595382 IJ Annotated Anodyne CC(C)Oc1cccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587595839 IJ Annotated Anodyne CC(C)Oc1cccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587595840 IJ Annotated Anodyne CC(C)Oc1cccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587595841 IJ Annotated Anodyne CC(C)Oc1cccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587595842 IJ Annotated Anodyne COCCOCCCc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595961 IJ Annotated Anodyne COCCOCCCc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595965 IJ Annotated Anodyne COCCOCCCc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595966 IJ Annotated Anodyne COCCOCCCc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595968 IJ Annotated Anodyne COCCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587595978 IJ Annotated Anodyne COCCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587595979 IJ Annotated Anodyne COCCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC ZINC000587595980 IJ Annotated Anodyne COCCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC ZINC000587595982 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596013 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596016 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596018 IJ Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596022 IJ Annotated Anodyne CCOc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587596041 IJ Annotated Anodyne CCOc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587596044 IJ Annotated Anodyne CCOc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587596047 IJ Annotated Anodyne CCOc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587596048 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596194 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596196 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596198 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596200 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(CN2CCCCC2)c1 ZINC000587596207 IJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(CN2CCCCC2)c1 ZINC000587596208 IJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)c(CN2CCCCC2)c1 ZINC000587596209 IJ Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(CN2CCCCC2)c1 ZINC000587596210 IJ Annotated Clean Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596245 IJ Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596246 IJ Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596247 IJ Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596248 IJ Annotated Anodyne COCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587596400 IJ Annotated Anodyne COCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587596402 IJ Annotated Anodyne COCCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587596404 IJ Annotated Anodyne COCCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587596406 IJ Annotated Anodyne CC(C)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587596629 IJ Annotated Anodyne CC(C)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587596631 IJ Annotated Anodyne CC(C)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587596633 IJ Annotated Anodyne CC(C)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587596635 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H]1N[C@H]1c1ccccc1 ZINC000587596657 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H]1N[C@@H]1c1ccccc1 ZINC000587596660 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1N[C@@H]1c1ccccc1 ZINC000587596663 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1N[C@H]1c1ccccc1 ZINC000587596665 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596808 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596809 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596810 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596811 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(C)cc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596828 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(C)cc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596829 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(C)cc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596830 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(C)cc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596831 IJ Annotated Anodyne COC(=O)C1(c2ccccc2)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596899 IJ Annotated Anodyne COC(=O)C1(c2ccccc2)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596901 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(C1)CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596980 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(C1)CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596981 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC2)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587597072 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC2)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587597073 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC2)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587597075 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC2)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587597077 IJ Annotated Anodyne C[C@@]1(c2cc(N3CCCCC3)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597117 IJ Annotated Anodyne C[C@]1(c2cc(N3CCCCC3)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597118 IJ Annotated Anodyne COCCOCCCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587597190 IJ Annotated Anodyne COCCOCCCc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587597191 IJ Annotated Anodyne COCCOCCCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587597192 IJ Annotated Anodyne COCCOCCCc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587597194 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597373 IJ Annotated Anodyne C[C@@]1(c2cc(N3CCCCC3)ccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597374 IJ Annotated Anodyne C[C@]1(c2cc(N3CCCCC3)ccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597375 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597377 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597379 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597381 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC[C@@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587597421 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC[C@@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587597423 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC[C@]3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587597424 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CC[C@]3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587597425 IJ Annotated Anodyne C[C@@]1(CCc2ccc(OCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597498 IJ Annotated Anodyne C[C@]1(CCc2ccc(OCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597510 IJ Annotated Anodyne C[C@@]1(CCc2ccc(OCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597513 IJ Annotated Anodyne C[C@]1(CCc2ccc(OCCC(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597515 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597537 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597541 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597545 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597547 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597733 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597735 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OCC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597737 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OCC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597739 IJ Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587597769 IJ Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587597770 IJ Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587597771 IJ Annotated Anodyne COC(=O)c1ccc(OC(C)C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587597772 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597847 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597850 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597853 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597856 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(-c3ccccc3)cc12 ZINC000587597877 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc(-c3ccccc3)cc12 ZINC000587597881 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(-c3ccccc3)cc12 ZINC000587597882 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc(-c3ccccc3)cc12 ZINC000587597884 IJ Annotated Anodyne CCOC(=O)[C@H](CC)Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597980 IJ Annotated Anodyne CCOC(=O)[C@H](CC)Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597983 IJ Annotated Anodyne CCOC(=O)[C@H](CC)Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597986 IJ Annotated Anodyne CCOC(=O)[C@H](CC)Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597989 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C2(CC2)C1 ZINC000587598171 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C2(CC2)C1 ZINC000587598172 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C2(CC2)C1 ZINC000587598173 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C2(CC2)C1 ZINC000587598174 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1CC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587598209 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@H]1CC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587598210 IJ Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1COC(C)=O ZINC000587598308 IJ Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1COC(C)=O ZINC000587598311 IJ Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1COC(C)=O ZINC000587598312 IJ Annotated Anodyne CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1COC(C)=O ZINC000587598314 IJ Annotated Anodyne CC[C@]1(C2(c3ccccc3)CCNCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598351 IJ Annotated Anodyne C[C@@]1(c2cccc(OCCCC(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598355 IJ Annotated Anodyne CC[C@]1(C2(c3ccccc3)CCNCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598356 IJ Annotated Anodyne C[C@]1(c2cccc(OCCCC(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598357 IJ Annotated Anodyne C[C@@]1(c2cccc(OCCCC(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598358 IJ Annotated Anodyne CC[C@@]1(C2(c3ccccc3)CCNCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598359 IJ Annotated Anodyne C[C@]1(c2cccc(OCCCC(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598360 IJ Annotated Anodyne CC[C@@]1(C2(c3ccccc3)CCNCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598364 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598401 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598402 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598403 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598405 IJ Annotated Anodyne C#CCOc1c(CC=C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587598509 IJ Annotated Mild C#CCOc1c(CC=C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587598512 IJ Annotated Mild C#CCOc1c(CC=C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587598515 IJ Annotated Mild C#CCOc1c(CC=C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587598517 IJ Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12[C@H]1CC[C@H]2CN(Cc2ccccc2)C1 ZINC000587598606 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587598607 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H]1CC[C@H]2CN(Cc2ccccc2)C1 ZINC000587598609 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587598611 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCN(C(=O)Oc1ccccc1)CC2 ZINC000587598693 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCN(C(=O)Oc1ccccc1)CC2 ZINC000587598694 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCN(C(=O)Oc1ccccc1)CC2 ZINC000587598695 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCN(C(=O)Oc1ccccc1)CC2 ZINC000587598696 IJ Annotated Anodyne C[C@H](Oc1ccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587598783 IJ Annotated Anodyne C[C@H](Oc1ccc(CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587598785 IJ Annotated Anodyne C[C@H](Oc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587598787 IJ Annotated Anodyne C[C@H](Oc1ccc(CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587598789 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CC2)C(=O)Nc2ccccc21 ZINC000587598790 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CC2)C(=O)Nc2ccccc21 ZINC000587598791 IJ Annotated Anodyne CC[C@@]1(CC(=O)Oc2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598959 IJ Annotated Anodyne CC[C@]1(CC(=O)Oc2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598962 IJ Annotated Anodyne CC[C@@]1(CC(=O)Oc2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598963 IJ Annotated Anodyne CC[C@]1(CC(=O)Oc2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598965 IJ Annotated Anodyne O=C(O)COc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598989 IJ Annotated Anodyne O=C(O)COc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598994 IJ Annotated Anodyne O=C(O)COc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598997 IJ Annotated Anodyne O=C(O)COc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598999 IJ Annotated Anodyne N#CC[C@@]1(c2ccc(N3CCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599071 IJ Annotated Mild N#CC[C@]1(c2ccc(N3CCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599072 IJ Annotated Mild N#CC[C@@]1(c2ccc(N3CCCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599073 IJ Annotated Mild N#CC[C@]1(c2ccc(N3CCCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599074 IJ Annotated Mild COc1ccc([C@]2(CCCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599178 IJ Annotated Anodyne COc1ccc([C@@]2(CCCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599180 IJ Annotated Anodyne COc1ccc([C@]2(CCCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599182 IJ Annotated Anodyne COc1ccc([C@@]2(CCCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599186 IJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)CC ZINC000587599455 IJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)CC ZINC000587599457 IJ Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)CC ZINC000587599459 IJ Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)CC ZINC000587599460 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599577 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(C(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599579 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599581 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599583 IJ Annotated Anodyne CCOC(=O)C[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599715 IJ Annotated Anodyne CCOC(=O)C[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599716 IJ Annotated Anodyne CCOC(=O)C[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599717 IJ Annotated Anodyne CCOC(=O)C[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599718 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599747 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599748 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599749 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599750 IJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599759 IJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599760 IJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587599761 IJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587599762 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC2(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600187 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC2(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600188 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC2(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600189 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC2(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600190 IJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600316 IJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600318 IJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587600320 IJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587600322 IJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601038 IJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601039 IJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601040 IJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601041 IJ Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601106 IJ Annotated Anodyne COc1ccc([C@]2(CC(C)(C)C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587601107 IJ Annotated Anodyne COc1ccc([C@@]2(CC(C)(C)C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601192 IJ Annotated Anodyne COc1ccc([C@]2(CC(C)(C)C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587601194 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601558 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601561 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601563 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601565 IJ Annotated Anodyne COC(=O)CCC[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602491 IJ Annotated Anodyne COC(=O)CCC[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602492 IJ Annotated Anodyne COC(=O)CCC[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602493 IJ Annotated Anodyne COC(=O)CCC[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602494 IJ Annotated Anodyne CC(C)(C1=CC(=O)c2ccccc2C1=O)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602983 IJ Annotated Mild CC(C)(C1=CC(=O)c2ccccc2C1=O)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602987 IJ Annotated Mild CC(C)(C1=CC(=O)c2ccccc2C1=O)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602989 IJ Annotated Mild CC(C)(C1=CC(=O)c2ccccc2C1=O)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602993 IJ Annotated Mild O=C(O)CC[C@]1(CCC(=O)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603655 IJ Annotated Anodyne O=C(O)CC[C@@]1(CCC(=O)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603657 IJ Annotated Anodyne O=C(O)CC[C@]1(CCC(=O)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603659 IJ Annotated Anodyne O=C(O)CC[C@@]1(CCC(=O)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603661 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc2ccccc2c1)C(=O)O ZINC000587604652 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc2ccccc2c1)C(=O)O ZINC000587604653 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc2ccccc2c1)C(=O)O ZINC000587604654 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc2ccccc2c1)C(=O)O ZINC000587604655 IJ Annotated Anodyne CCCCS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605065 IJ Annotated Anodyne CCCCS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605070 IJ Annotated Anodyne CCCCS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605071 IJ Annotated Anodyne CCCCS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605073 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605223 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605225 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605227 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605228 IJ Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605627 IJ Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605631 IJ Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605633 IJ Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605635 IJ Annotated Anodyne CCCCOC(=O)C1=C[C@]2(CC(C)(C)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605762 IJ Annotated Anodyne CCCCOC(=O)C1=C[C@@]2(CC(C)(C)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605765 IJ Annotated Anodyne CCCCOC(=O)C1=C[C@]2(CC(C)(C)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605767 IJ Annotated Anodyne CCCCOC(=O)C1=C[C@@]2(CC(C)(C)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605770 IJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605945 IJ Annotated Anodyne O=C(O)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605946 IJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587605947 IJ Annotated Anodyne O=C(O)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587605948 IJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)cccc21 ZINC000587606222 IJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)cccc21 ZINC000587606223 IJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)cccc21 ZINC000587606224 IJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)cccc21 ZINC000587606225 IJ Annotated Anodyne O=C(O)c1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587606363 IJ Annotated Anodyne O=C(O)c1cccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587606364 IJ Annotated Anodyne O=C(O)c1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587606366 IJ Annotated Anodyne O=C(O)c1cccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587606368 IJ Annotated Anodyne CCS(=O)(=O)c1c(Cl)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606408 IJ Annotated Anodyne CCS(=O)(=O)c1c(Cl)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606409 IJ Annotated Anodyne CCS(=O)(=O)c1c(Cl)cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606410 IJ Annotated Anodyne CCS(=O)(=O)c1c(Cl)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606411 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(C2CCCCC2)cc1)C(O)O ZINC000587606649 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(C2CCCCC2)cc1)C(O)O ZINC000587606651 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(C2CCCCC2)cc1)C(O)O ZINC000587606652 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(C2CCCCC2)cc1)C(O)O ZINC000587606653 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(O)c(O)c1 ZINC000587606664 IJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(O)c(O)c1 ZINC000587606667 IJ Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(O)c(O)c1 ZINC000587606668 IJ Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(O)c(O)c1 ZINC000587606669 IJ Annotated Clean CC(C)CS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587606697 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587606698 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587606699 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587606701 IJ Annotated Anodyne Cc1cc(C)nc(SC[C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587607251 IJ Annotated Anodyne Cc1cc(C)nc(SC[C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587607252 IJ Annotated Anodyne Cc1cc(C)nc(SC[C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587607253 IJ Annotated Anodyne Cc1cc(C)nc(SC[C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587607254 IJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(O)ccc21 ZINC000587607330 IJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(O)ccc21 ZINC000587607331 IJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(O)ccc21 ZINC000587607332 IJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(O)ccc21 ZINC000587607333 IJ Annotated Anodyne C[C@@]1(c2ccc(OC3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607382 IJ Annotated Anodyne C[C@]1(c2ccc(OC3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607389 IJ Annotated Anodyne C[C@@]1(c2ccc(OC3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607391 IJ Annotated Anodyne C[C@]1(c2ccc(OC3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607393 IJ Annotated Anodyne CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607679 IJ Annotated Unstable CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607680 IJ Annotated Unstable CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607681 IJ Annotated Unstable CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607682 IJ Annotated Unstable CCCCS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587607800 IJ Annotated Anodyne CCCCS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587607801 IJ Annotated Anodyne CCCCS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587607802 IJ Annotated Anodyne CCCCS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587607803 IJ Annotated Anodyne CC1(C)COC2(C[C@@H]3CC4(C[C@H]3C2)Oc2ccccc2C(=O)[C@H]4C(=O)c2ccco2)OC1 ZINC000587608082 IJ Annotated Anodyne CC1(C)COC2(C[C@@H]3C[C@@]4(C[C@@H]3C2)Oc2ccccc2C(=O)[C@H]4C(=O)c2ccco2)OC1 ZINC000587608083 IJ Annotated Anodyne CC1(C)COC2(C[C@@H]3C[C@@]4(C[C@@H]3C2)Oc2ccccc2C(=O)[C@@H]4C(=O)c2ccco2)OC1 ZINC000587608084 IJ Annotated Anodyne CC1(C)COC2(C[C@@H]3CC4(C[C@H]3C2)Oc2ccccc2C(=O)[C@@H]4C(=O)c2ccco2)OC1 ZINC000587608085 IJ Annotated Anodyne CCOP(=O)(C[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC ZINC000587608156 IJ Annotated Reactive CCOP(=O)(C[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC ZINC000587608157 IJ Annotated Reactive CCOP(=O)(C[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC ZINC000587608158 IJ Annotated Reactive CCOP(=O)(C[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC ZINC000587608159 IJ Annotated Reactive O=C(O)c1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608326 IJ Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608328 IJ Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608329 IJ Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608330 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608444 IJ Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608450 IJ Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608452 IJ Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608453 IJ Annotated Unstable O=C(O)[C@@H]1CCC[C@@H]1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608542 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1CCC[C@H]1C(=O)O ZINC000587608543 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1CCC[C@H]1C(=O)O ZINC000587608544 IJ Annotated Anodyne O=C(O)[C@@H]1CCC[C@@H]1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608545 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(O)cc1O ZINC000587608615 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(O)cc1O ZINC000587608616 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(O)cc1O ZINC000587608617 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(O)cc1O ZINC000587608618 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1ccc(O)cc1Oc1cc(O)ccc12 ZINC000587608719 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1ccc(O)cc1Oc1cc(O)ccc12 ZINC000587608722 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609055 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609056 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609057 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609058 IJ Annotated Anodyne N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cccs2)n1 ZINC000587609150 IJ Annotated Mild N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cccs2)n1 ZINC000587609154 IJ Annotated Mild O=C(O)c1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587609234 IJ Annotated Anodyne O=C(O)c1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587609235 IJ Annotated Anodyne O=C(O)c1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587609236 IJ Annotated Anodyne O=C(O)c1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587609237 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1CC[C@@H](C(=O)O)C1 ZINC000587609278 IJ Annotated Anodyne O=C(O)[C@@H]1CC[C@H]([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587609279 IJ Annotated Anodyne O=C(O)[C@@H]1CC[C@H]([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587609280 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1CC[C@@H](C(=O)O)C1 ZINC000587609283 IJ Annotated Anodyne N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cccs2)n1 ZINC000587609353 IJ Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cccs2)n1 ZINC000587609356 IJ Annotated Mild COc1ccc([C@@]2(C3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609606 IJ Annotated Anodyne COc1ccc([C@]2(C3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609607 IJ Annotated Anodyne COc1ccc([C@@]2(C3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609608 IJ Annotated Anodyne COc1ccc([C@]2(C3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609609 IJ Annotated Anodyne C[C@@]1(c2sc(N)nc2-c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609790 IJ Annotated Anodyne C[C@]1(c2sc(N)nc2-c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609794 IJ Annotated Anodyne C[C@@]1(c2sc(N)nc2-c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609798 IJ Annotated Anodyne C[C@]1(c2sc(N)nc2-c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609800 IJ Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587610061 IJ Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587610063 IJ Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587610065 IJ Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587610066 IJ Annotated Anodyne C[C@]1(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610115 IJ Annotated Anodyne C[C@]1(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610117 IJ Annotated Anodyne C[C@@]1(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610119 IJ Annotated Anodyne C[C@@]1(C23C[C@H]4C[C@@H](CC(C(=O)O)(C4)C2)C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610121 IJ Annotated Anodyne C[C@H](Oc1ccc2ccc(=O)oc2c1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610233 IJ Annotated Anodyne C[C@H](Oc1ccc2ccc(=O)oc2c1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610239 IJ Annotated Anodyne C[C@H](Oc1ccc2ccc(=O)oc2c1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610242 IJ Annotated Anodyne C[C@H](Oc1ccc2ccc(=O)oc2c1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610246 IJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(O)c21 ZINC000587610538 IJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(O)c21 ZINC000587610540 IJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(O)c21 ZINC000587610541 IJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(O)c21 ZINC000587610543 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(C(=O)O)(c1ccccc1)CC2 ZINC000587610545 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(C(=O)O)(c1ccccc1)CC2 ZINC000587610547 IJ Annotated Anodyne CSc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587610550 IJ Annotated Anodyne CSc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587610561 IJ Annotated Anodyne CSc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587610562 IJ Annotated Anodyne CSc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587610563 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000587610635 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000587610641 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000587610642 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000587610644 IJ Annotated Anodyne O=C(O)c1cccc2c1-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610794 IJ Annotated Anodyne O=C(O)c1cccc2c1-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610800 IJ Annotated Anodyne O=C(O)c1cccc2c1-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610805 IJ Annotated Anodyne O=C(O)c1cccc2c1-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610811 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610835 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610836 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610840 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610843 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000587611271 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000587611273 IJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc21 ZINC000587611275 IJ Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc21 ZINC000587611277 IJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc21 ZINC000587611279 IJ Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc21 ZINC000587611282 IJ Annotated Anodyne C[C@]1(c2cnc(Nc3cccnc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611299 IJ Annotated Anodyne C[C@@]1(c2cnc(Nc3cccnc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611300 IJ Annotated Anodyne C[C@]1(c2cnc(Nc3cccnc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611301 IJ Annotated Anodyne C[C@@]1(c2cnc(Nc3cccnc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611302 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1CC=CC[C@H]1C(=O)O ZINC000587611393 IJ Annotated Anodyne O=C(O)[C@@H]1CC=CC[C@@H]1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611398 IJ Annotated Anodyne O=C(O)[C@@H]1CC=CC[C@@H]1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611399 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1CC=CC[C@H]1C(=O)O ZINC000587611400 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(O)cc1)c1ccccc1O ZINC000587611783 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(O)cc1)c1ccccc1O ZINC000587611785 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(O)cc1)c1ccccc1O ZINC000587611787 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(O)cc1)c1ccccc1O ZINC000587611788 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611981 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611982 IJ Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611983 IJ Annotated Anodyne O=C(O)CC[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611984 IJ Annotated Anodyne COc1sc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587612067 IJ Annotated Anodyne COc1sc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587612070 IJ Annotated Anodyne COc1sc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587612072 IJ Annotated Anodyne COc1sc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587612073 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1cc(O)ccc1Oc1cccc(O)c12 ZINC000587612101 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1cc(O)ccc1Oc1cccc(O)c12 ZINC000587612104 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1cc(O)ccc1Oc1cccc(O)c12 ZINC000587612106 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1cc(O)ccc1Oc1cccc(O)c12 ZINC000587612109 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1cc(O)cc(O)c12 ZINC000587612520 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1cc(O)cc(O)c12 ZINC000587612521 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1Oc1cc(O)cc(O)c12 ZINC000587612522 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1Oc1cc(O)cc(O)c12 ZINC000587612523 IJ Annotated Anodyne N#CC[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612614 IJ Annotated Mild N#CC[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612624 IJ Annotated Mild N#CC[C@@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612626 IJ Annotated Mild N#CC[C@]1(c2ccc(Br)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612628 IJ Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCSCC2)s1 ZINC000587612752 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCSCC2)s1 ZINC000587612753 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCSCC2)s1 ZINC000587612754 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCSCC2)s1 ZINC000587612755 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccccc1O)c1ccccc1O ZINC000587612800 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccccc1O)c1ccccc1O ZINC000587612801 IJ Annotated Anodyne O=C(c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C1CCOCC1 ZINC000587613554 IJ Annotated Anodyne O=C(c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C1CCOCC1 ZINC000587613555 IJ Annotated Anodyne O=C(c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C1CCOCC1 ZINC000587613557 IJ Annotated Anodyne O=C(c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C1CCOCC1 ZINC000587613559 IJ Annotated Anodyne Cc1sc([C@]2(CN)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1-c1ccccc1 ZINC000587613700 IJ Annotated Anodyne Cc1sc([C@@]2(CN)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1-c1ccccc1 ZINC000587613701 IJ Annotated Anodyne Cc1sc([C@]2(CN)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1-c1ccccc1 ZINC000587613702 IJ Annotated Anodyne Cc1sc([C@@]2(CN)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1-c1ccccc1 ZINC000587613703 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613728 IJ Annotated Anodyne CSc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 ZINC000587613746 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613754 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587613756 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587613757 IJ Annotated Anodyne CSc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 ZINC000587613817 IJ Annotated Anodyne CSc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 ZINC000587613823 IJ Annotated Anodyne CSc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 ZINC000587613824 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614242 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614243 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614244 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614246 IJ Annotated Anodyne N#Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614272 IJ Annotated Reactive N#Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614279 IJ Annotated Reactive N#Cc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614280 IJ Annotated Reactive N#Cc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614281 IJ Annotated Reactive COC(=O)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587614290 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587614291 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587614292 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587614293 IJ Annotated Anodyne COc1cccc([C@]2(C[C@H]3CCCO3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587614304 IJ Annotated Anodyne COc1cccc([C@]2(C[C@@H]3CCCO3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587614305 IJ Annotated Anodyne COc1cccc([C@]2(C[C@@H]3CCCO3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587614306 IJ Annotated Anodyne COc1cccc([C@]2(C[C@H]3CCCO3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587614307 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(SC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614394 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(SC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614396 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(SC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614398 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(SC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614401 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000587614417 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000587614419 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000587614421 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000587614422 IJ Annotated Anodyne C=C1CC([C@]2(CCCCC3OCCO3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587614928 IJ Annotated Mild C=C1CC([C@@]2(CCCCC3OCCO3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587614930 IJ Annotated Mild C=C1CC([C@]2(CCCCC3OCCO3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587614931 IJ Annotated Mild C=C1CC([C@@]2(CCCCC3OCCO3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587614932 IJ Annotated Mild COc1nc(N2CCCCC2)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615361 IJ Annotated Anodyne COc1nc(N2CCCCC2)sc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615363 IJ Annotated Anodyne COc1nc(N2CCCCC2)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615364 IJ Annotated Anodyne COc1nc(N2CCCCC2)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615366 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(N2CCCC2)nc1Cl ZINC000587615485 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(N2CCCC2)nc1Cl ZINC000587615490 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(N2CCCC2)nc1Cl ZINC000587615492 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(N2CCCC2)nc1Cl ZINC000587615494 IJ Annotated Anodyne COC(OC)c1oc2ccc(O)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615679 IJ Annotated Anodyne COC(OC)c1oc2ccc(O)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615682 IJ Annotated Anodyne COC(OC)c1oc2ccc(O)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615685 IJ Annotated Anodyne COC(OC)c1oc2ccc(O)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615688 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1cc(Cl)sc1Cl ZINC000587615838 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1cc(Cl)sc1Cl ZINC000587615840 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1cc(Cl)sc1Cl ZINC000587615841 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1cc(Cl)sc1Cl ZINC000587615843 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587616027 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587616028 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587616029 IJ Annotated Anodyne CC(C)(C)OC(=O)Nc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587616031 IJ Annotated Anodyne Cc1c([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2ccccc12 ZINC000587616497 IJ Annotated Anodyne Cc1c([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2ccccc12 ZINC000587616505 IJ Annotated Anodyne Cc1c([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2ccccc12 ZINC000587616506 IJ Annotated Anodyne Cc1c([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2ccccc12 ZINC000587616507 IJ Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616525 IJ Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616526 IJ Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616527 IJ Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616528 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(Br)sc12 ZINC000587616947 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(Br)sc12 ZINC000587616948 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(Br)sc12 ZINC000587616949 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(Br)sc12 ZINC000587616950 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(=O)c(OCc2ccccc2)co1 ZINC000587617037 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(=O)c(OCc2ccccc2)co1 ZINC000587617038 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(=O)c(OCc2ccccc2)co1 ZINC000587617039 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(=O)c(OCc2ccccc2)co1 ZINC000587617040 IJ Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617101 IJ Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617102 IJ Annotated Anodyne COC(=O)c1sc2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1C ZINC000587617171 IJ Annotated Anodyne COC(=O)c1sc2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1C ZINC000587617177 IJ Annotated Anodyne COC(=O)c1sc2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1C ZINC000587617178 IJ Annotated Anodyne COC(=O)c1sc2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1C ZINC000587617179 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(C(C)C)c2c1 ZINC000587617202 IJ Annotated Reactive CCOC(=O)c1oc2c(c1C)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617377 IJ Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617380 IJ Annotated Anodyne O=C(Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccco1 ZINC000587617409 IJ Annotated Anodyne O=C(Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccco1 ZINC000587617410 IJ Annotated Anodyne O=C(Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccco1 ZINC000587617411 IJ Annotated Anodyne O=C(Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccco1 ZINC000587617413 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCC1OCCCO1)c1ccccc1 ZINC000587617711 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCC1OCCCO1)c1ccccc1 ZINC000587617712 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCC1OCCCO1)c1ccccc1 ZINC000587617714 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCC1OCCCO1)c1ccccc1 ZINC000587617716 IJ Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1O ZINC000587617786 IJ Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1O ZINC000587617787 IJ Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1O ZINC000587617789 IJ Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1O ZINC000587617791 IJ Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 ZINC000587617874 IJ Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc12 ZINC000587617875 IJ Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 ZINC000587617876 IJ Annotated Anodyne Cc1c(C(=O)O)sc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc12 ZINC000587617877 IJ Annotated Anodyne COC(=O)c1cc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc(OC)c2o1 ZINC000587617925 IJ Annotated Anodyne COC(=O)c1cc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc(OC)c2o1 ZINC000587617926 IJ Annotated Anodyne COC(=O)c1cc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc(OC)c2o1 ZINC000587617927 IJ Annotated Anodyne COC(=O)c1cc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc(OC)c2o1 ZINC000587617928 IJ Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C(=O)O)oc12 ZINC000587619030 IJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C(=O)O)oc12 ZINC000587619049 IJ Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C(=O)O)oc12 ZINC000587619266 IJ Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C(=O)O)oc12 ZINC000587619267 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1=C(c2ccccc2)N2CCN=C2S1 ZINC000587619416 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1=C(c2ccccc2)N2CCN=C2S1 ZINC000587619417 IJ Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1=C(c2ccccc2)N2CCN=C2S1 ZINC000587619418 IJ Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1=C(c2ccccc2)N2CCN=C2S1 ZINC000587619420 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC(C)(C)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619715 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC(C)(C)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619716 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC(C)(C)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619717 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC(C)(C)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619718 IJ Annotated Anodyne C[C@]1(CCc2ccc(OC[C@H]3CO3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619844 IJ Annotated Anodyne C[C@]1(CCc2ccc(OC[C@@H]3CO3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619845 IJ Annotated Anodyne C[C@]1(CCc2ccc(OC[C@@H]3CO3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619846 IJ Annotated Anodyne C[C@]1(CCc2ccc(OC[C@H]3CO3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619847 IJ Annotated Anodyne CCC[C@@H](C)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C#N ZINC000587620277 IJ Annotated Mild CCC[C@H](C)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C#N ZINC000587620279 IJ Annotated Mild O=C1c2ccsc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccsc21 ZINC000587620315 IJ Annotated Anodyne O=C1c2ccsc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccsc21 ZINC000587620317 IJ Annotated Anodyne O=C1c2ccsc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccsc21 ZINC000587620318 IJ Annotated Anodyne O=C1c2ccsc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccsc21 ZINC000587620321 IJ Annotated Anodyne CCC(CC)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C#N ZINC000587620924 IJ Annotated Mild O=C(CBr)Nc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621077 IJ Annotated Reactive CCOC(=O)c1c(C(Cl)(Cl)Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621161 IJ Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)Cl ZINC000587621332 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccccc1Cl ZINC000587621338 IJ Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621345 IJ Annotated Anodyne CCn1ncc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)c1C ZINC000587621350 IJ Annotated Anodyne CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621370 IJ Annotated Anodyne O=C(O)Cc1c(-c2ccccc2Br)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621450 IJ Annotated Anodyne N#Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621790 IJ Annotated Mild COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CC(=O)O)c(Cl)c1 ZINC000587621817 IJ Annotated Anodyne COc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CC(=O)O)ccc1Cl ZINC000587621821 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccc(Cl)cc1 ZINC000587621824 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cccc(Cl)c1 ZINC000587621866 IJ Annotated Anodyne CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)c(C)n1 ZINC000587621882 IJ Annotated Anodyne O=C1CCC(=O)N1c1c(-c2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621918 IJ Annotated Anodyne CCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)c(C)n1 ZINC000587621950 IJ Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622029 IJ Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000587622063 IJ Annotated Bother CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)c1C ZINC000587622088 IJ Annotated Anodyne O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)F ZINC000587622139 IJ Annotated Anodyne CCOC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622169 IJ Annotated Anodyne COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622252 IJ Annotated Anodyne CCOc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CC(=O)O)cc1F ZINC000587622372 IJ Annotated Anodyne O=C(c1ccc2c(c1)OCO2)c1c(C(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622412 IJ Annotated Anodyne CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587622422 IJ Annotated Anodyne COc1cc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c([N+](=O)[O-])cc1OC ZINC000587622437 IJ Annotated Bother CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622438 IJ Annotated Bother COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCC(=O)O)cc1F ZINC000587622491 IJ Annotated Anodyne COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622629 IJ Annotated Anodyne COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622630 IJ Annotated Anodyne COC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cc(F)c(F)cc1F ZINC000587622784 IJ Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CN(C)C)cc1OC ZINC000587622859 IJ Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000587622878 IJ Annotated Anodyne COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623072 IJ Annotated Anodyne CC(C)(C)OC(=O)NCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccncc1 ZINC000587623528 IJ Annotated Anodyne CCc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N2CCOCC2)cc1 ZINC000587623799 IJ Annotated Anodyne Cc1cc(Cl)cc2c(CCN3C(=O)c4ccccc4C3=O)c(CBr)[nH]c12 ZINC000587624004 IJ Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@@H](c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)C1 ZINC000587624147 IJ Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)C1 ZINC000587624148 IJ Annotated Mild Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000587624183 IJ Annotated Anodyne COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3c(C)cc(Cl)cc23)c1C(=O)OC ZINC000587624633 IJ Annotated Anodyne CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3c(C)cc(Cl)cc23)c1C ZINC000587625209 IJ Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2c(C)cc(Cl)cc12 ZINC000587625273 IJ Annotated Anodyne CC(C)(C)OC(=O)c1c(C[C@H](O)CC#N)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626773 IJ Annotated Mild COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1c(C)nn(C)c1C ZINC000587627650 IJ Annotated Anodyne CCn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N2CCOCC2)cn1 ZINC000587627665 IJ Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1c(=O)oc(=O)c2ccccc21 ZINC000587627797 IJ Annotated Anodyne Cn1nccc1C(=O)c1c(-c2ccnn2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627822 IJ Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CN1CCOCC1 ZINC000587627954 IJ Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1CCOCC1 ZINC000587628148 IJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCc1c(CBr)[nH]c2ccc(F)c(Cl)c12 ZINC000587628271 IJ Annotated Reactive Cn1cc(C(=O)c2c(-c3cnn(C)c3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cn1 ZINC000587628294 IJ Annotated Anodyne COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628478 IJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCc1c(CBr)[nH]c2cc(Cl)c(F)cc12 ZINC000587628730 IJ Annotated Reactive COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3cc(Cl)c(F)cc23)c1C(=O)OC ZINC000587630206 IJ Annotated Anodyne COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3ccc(F)c(Cl)c23)c1C(=O)OC ZINC000587631061 IJ Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2cccc(F)c12 ZINC000587632074 IJ Annotated Anodyne CCOC(=O)CCc1[nH]c2cc(F)ccc2c1CC(=O)c1ccc(Br)cc1 ZINC000587632261 IJ Annotated Anodyne CCOC(=O)CCc1[nH]c2cccc(F)c2c1CC(=O)c1ccc(Br)cc1 ZINC000587632574 IJ Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2cc(F)ccc12 ZINC000587632627 IJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3cc(F)ccc23)n1 ZINC000587635399 IJ Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3cccc(F)c23)n1 ZINC000587635703 IJ Annotated Anodyne O=C(Nc1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637352 IJ Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587637364 IJ Annotated Mild COc1cc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)ccc1OC(F)F ZINC000587637549 IJ Annotated Anodyne CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2c(C(=O)O)cccc12 ZINC000587637630 IJ Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c(C(F)(F)F)[nH]c12 ZINC000587637706 IJ Annotated Mild O=C(O)c1cccc2c(C(=O)C(F)(F)C(F)(F)F)c(C(F)(F)C(F)(F)F)[nH]c12 ZINC000587638315 IJ Annotated Mild COc1cc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)ccc1OC(F)F ZINC000587638769 IJ Annotated Anodyne CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)[nH]c2c(C(=O)O)cccc12 ZINC000587638782 IJ Annotated Mild CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)[nH]c2c(C(=O)O)cccc12 ZINC000587638783 IJ Annotated Mild CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]c2c(C(=O)O)cccc2c1CCCC1OCCO1 ZINC000587639296 IJ Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(-n3nnc(C(=O)OC)c3C(=O)OC)c2c1 ZINC000587642580 IJ Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(-n3nnc(C(=O)OC)c3C(=O)OC)c2c1 ZINC000587642581 IJ Annotated Anodyne CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587643445 IJ Annotated Anodyne CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587643449 IJ Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cccc([N+](=O)[O-])c13)/C(=C\Cl)N2 ZINC000587644665 IJ Annotated Bother COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cccc([N+](=O)[O-])c13)/C(=C/Cl)N2 ZINC000587644666 IJ Annotated Bother COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cc([N+](=O)[O-])ccc13)/C(=C/Cl)N2 ZINC000587645089 IJ Annotated Bother COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cc([N+](=O)[O-])ccc13)/C(=C\Cl)N2 ZINC000587645090 IJ Annotated Bother COc1cc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)ccc1OC(F)F ZINC000587645455 IJ Annotated Bother COc1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)ccc1OC(F)F ZINC000587645533 IJ Annotated Bother CCOC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645707 IJ Annotated Bother CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646277 IJ Annotated Bother CCOC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646286 IJ Annotated Bother CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1c(Cl)ccc(F)c1Cl ZINC000587646311 IJ Annotated Bother CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]c2cccc([N+](=O)[O-])c2c1CCCC1OCCO1 ZINC000587648502 IJ Annotated Bother CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cccc(Br)c3)c2c1 ZINC000587648776 IJ Annotated Anodyne CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587648818 IJ Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(Br)cc3)c2c1 ZINC000587649314 IJ Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587649443 IJ Annotated Mild CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Br)cc3)c2c1 ZINC000587649584 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]c2cc([N+](=O)[O-])ccc2c1CCCC1OCCO1 ZINC000587649668 IJ Annotated Bother CS(=O)(=O)c1ccc2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)c3ccc(F)cc3)c2c1 ZINC000587649832 IJ Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1Cc1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650107 IJ Annotated Anodyne CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@@](O)(c1ccccc1)C(F)(F)F ZINC000587650386 IJ Annotated Anodyne CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@](O)(c1ccccc1)C(F)(F)F ZINC000587650391 IJ Annotated Anodyne CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000587650419 IJ Annotated Mild CC1(C)COC(CCc2c(-c3ccccc3F)[nH]c3ccc(S(C)(=O)=O)cc23)OC1 ZINC000587650503 IJ Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C(F)(F)F)cc3)c2c1 ZINC000587650556 IJ Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccccc3C(F)(F)F)c2c1 ZINC000587650575 IJ Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000587650667 IJ Annotated Anodyne O=C(COc1ccc2cc(Br)ccc2c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587650679 IJ Annotated Anodyne O=C(COc1ccc2ccccc2c1Br)n1ncc2ccc(Cl)cc2c1=O ZINC000587650750 IJ Annotated Anodyne Cc1cc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C(C)C)cc1Br ZINC000587650967 IJ Annotated Anodyne O=C(c1ccc(COc2ccc(F)cc2Cl)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651093 IJ Annotated Anodyne CC(C)(C)c1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(Br)c1 ZINC000587651146 IJ Annotated Anodyne O=C(c1ccc(COc2ccc(Cl)cc2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651165 IJ Annotated Anodyne Cc1ccc(Cl)c(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c1 ZINC000587651212 IJ Annotated Anodyne Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)n3ncc4ccc(Cl)cc4c3=O)c2n1 ZINC000587651248 IJ Annotated Anodyne CC(C)c1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(Br)c1 ZINC000587651333 IJ Annotated Anodyne O=C(c1ccccc1COc1ccc(F)cc1F)n1ncc2ccc(Cl)cc2c1=O ZINC000587651343 IJ Annotated Anodyne C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651438 IJ Annotated Anodyne C[C@H](Oc1ccc(Br)cc1Cl)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651439 IJ Annotated Anodyne O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651446 IJ Annotated Anodyne CCCc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)cnn1-c1ccc(Cl)cc1 ZINC000587651673 IJ Annotated Anodyne Cc1cc(Cl)ccc1OCc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)o1 ZINC000587651812 IJ Annotated Anodyne O=C(CSc1ncc(C(F)(F)F)cc1Cl)n1ncc2ccc(Cl)cc2c1=O ZINC000587651816 IJ Annotated Anodyne O=C(c1ccc(COc2ccc(F)c(Cl)c2)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651918 IJ Annotated Anodyne O=C(c1cccnc1SCCC(F)=C(F)F)n1ncc2ccc(Cl)cc2c1=O ZINC000587652063 IJ Annotated Anodyne CCOc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)cc1 ZINC000587652073 IJ Annotated Anodyne O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652143 IJ Annotated Anodyne O=C(c1ccc(-c2ccc3c(c2)OCCCO3)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652346 IJ Annotated Anodyne O=C(c1ccc(COc2cccc3cccnc23)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652478 IJ Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)ccc1[N+](=O)[O-] ZINC000587652872 IJ Annotated Bother Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ncc1Br ZINC000587653326 IJ Annotated Anodyne Cc1cc(OCc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)ccc1[N+](=O)[O-] ZINC000587653382 IJ Annotated Bother Cc1cc(Br)cnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653486 IJ Annotated Anodyne COc1cc(Cl)ccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653488 IJ Annotated Anodyne CC(C)(C)c1ccc(-c2sc(N)nc2C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587653549 IJ Annotated Anodyne Cc1nn(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1Cl ZINC000587653750 IJ Annotated Anodyne Cc1cnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Br)c1 ZINC000587653759 IJ Annotated Anodyne Cc1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1Br ZINC000587653943 IJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc(Br)nc1Cl ZINC000587654193 IJ Annotated Anodyne O=C(CNc1ccccc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654225 IJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1cncc(Br)c1 ZINC000587654291 IJ Annotated Anodyne O=C(c1ccccc1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654332 IJ Annotated Anodyne Cc1nn([C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1Cl ZINC000587654537 IJ Annotated Anodyne Cc1nn([C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1Cl ZINC000587654540 IJ Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1ccc(Br)c(Cl)c1 ZINC000587654844 IJ Annotated Anodyne CCOC(=O)c1cnc(Cl)cc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655330 IJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(C(F)F)cc(C2CC2)n1 ZINC000587655341 IJ Annotated Anodyne O=C(c1cc(-c2ccc(F)cc2)[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655389 IJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccc(F)cc1F ZINC000587655393 IJ Annotated Anodyne O=C(c1cccc(OC(F)F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655411 IJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(-c2ccccc2F)nn1 ZINC000587655413 IJ Annotated Anodyne O=C(COc1ccc(F)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655421 IJ Annotated Anodyne O=C(c1cc(F)c(F)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655470 IJ Annotated Anodyne O=C(n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)C(F)(F)Oc1ccccc1 ZINC000587655551 IJ Annotated Anodyne O=C(c1ccccc1OC(F)F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655554 IJ Annotated Anodyne O=C(CSc1ccccc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655571 IJ Annotated Anodyne Cc1cc(C)c(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1 ZINC000587655583 IJ Annotated Anodyne O=C(c1ccc(OC(F)(F)F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655720 IJ Annotated Anodyne O=C(CNc1ccc(F)c(Cl)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655779 IJ Annotated Anodyne O=C(c1ccc(OC(F)F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655796 IJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000587655825 IJ Annotated Anodyne COc1ccccc1-c1ccnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587655882 IJ Annotated Anodyne O=C([C@H]1CCO[C@@H]1c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655902 IJ Annotated Anodyne CCc1ccc(-c2cnnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1 ZINC000587655969 IJ Annotated Anodyne C[C@@H](Oc1ccc(F)cc1F)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656023 IJ Annotated Anodyne C[C@H](Oc1ccc(F)cc1F)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656024 IJ Annotated Anodyne O=C(c1ccccc1OC(F)(F)F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656058 IJ Annotated Anodyne Cc1cc(C(F)F)nn1[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656076 IJ Annotated Anodyne Cc1cc(C(F)F)nn1[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656077 IJ Annotated Anodyne CCCc1noc(-c2cccnc2-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587656099 IJ Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1nc(C)c(Cl)c1C ZINC000587656175 IJ Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1nc(C)c(Cl)c1C ZINC000587656178 IJ Annotated Anodyne Cc1nc(-c2cccnc2)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C ZINC000587656278 IJ Annotated Anodyne CCCC(=O)Nc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587656471 IJ Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(Br)cc2n[nH]cc12 ZINC000587656567 IJ Annotated Anodyne O=C(c1cc(Cl)c(O)c(Cl)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656605 IJ Annotated Anodyne O=C(Cc1ccccc1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656677 IJ Annotated Anodyne O=C(c1nc(-c2ccc(Cl)cc2)no1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656680 IJ Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc(Br)c2cccnc12 ZINC000587656713 IJ Annotated Anodyne Cc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc(-c2ccccc2O)n1 ZINC000587656731 IJ Annotated Anodyne O=C(c1ccccc1-n1cccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656733 IJ Annotated Anodyne CCc1cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc(-c2ccccn2)n1 ZINC000587656757 IJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncccc1-c1nc(C2CC2)no1 ZINC000587656758 IJ Annotated Anodyne C[C@H](Oc1ccc2c(c1)CCC2)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656863 IJ Annotated Anodyne C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656865 IJ Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(Br)cc1[N+](=O)[O-] ZINC000587656925 IJ Annotated Bother O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2cc3c(cc2s1)OCO3 ZINC000587656932 IJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2cc3c(cc2s1)OCCO3 ZINC000587656971 IJ Annotated Anodyne Cc1nc(-c2ccncc2)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C ZINC000587656997 IJ Annotated Anodyne CC(=O)c1ccc(O[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657086 IJ Annotated Anodyne CC(=O)c1ccc(O[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657087 IJ Annotated Anodyne O=C(c1cc2ccccc2cc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657094 IJ Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2ccccc2n1 ZINC000587657098 IJ Annotated Anodyne O=C(c1ccc2ccccc2c1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657125 IJ Annotated Anodyne O=C(c1cc(Br)c(Cl)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657178 IJ Annotated Anodyne Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1Br ZINC000587657192 IJ Annotated Anodyne CCc1nc2ccccc2n1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657304 IJ Annotated Anodyne CC(C)(C)OC(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1 ZINC000587657334 IJ Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nnc(-c2ccccc2)n1C1CC1 ZINC000587657425 IJ Annotated Anodyne COc1ccc(-c2ccnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1 ZINC000587657436 IJ Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2ccc(Br)cc2[nH]1 ZINC000587657454 IJ Annotated Anodyne Cc1ccc(-c2cnnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1C ZINC000587657455 IJ Annotated Anodyne Cc1ccc(-c2cnnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c(C)c1 ZINC000587657523 IJ Annotated Anodyne Cc1nc(-c2ccccn2)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C ZINC000587657525 IJ Annotated Anodyne O=C(CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)Nc1ccccc1Cl ZINC000587657530 IJ Annotated Anodyne Cc1ccc(C)c(-c2cnnc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c1 ZINC000587657559 IJ Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)[C@@H]1C ZINC000587657582 IJ Annotated Anodyne C[C@@H]1[C@@H](NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CCC[C@H]1C ZINC000587657583 IJ Annotated Anodyne C[C@@H]1CCC[C@H](NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)[C@@H]1C ZINC000587657585 IJ Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657588 IJ Annotated Anodyne O=C(c1cc(Br)cs1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657666 IJ Annotated Anodyne O=C(c1ncc(C(F)(F)F)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657848 IJ Annotated Anodyne O=C(COc1ccccc1C(F)(F)F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657884 IJ Annotated Anodyne O=C(c1ccccc1OC(F)(F)F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657886 IJ Annotated Anodyne CCOc1ccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657922 IJ Annotated Anodyne CC(=O)c1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587657939 IJ Annotated Anodyne CC(=O)c1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587657941 IJ Annotated Anodyne O=C(CSc1nc2ccccc2o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657954 IJ Annotated Anodyne O=C(Cn1nc(C(F)F)cc1C1CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657959 IJ Annotated Anodyne O=C(CSc1nc2ccccc2[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657964 IJ Annotated Anodyne COc1ccc(C)cc1NC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658063 IJ Annotated Anodyne CCOc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587658103 IJ Annotated Anodyne CCOc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587658104 IJ Annotated Anodyne O=C(COc1ccc(F)cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658109 IJ Annotated Anodyne O=C(Cn1nc(C(F)F)cc1C(F)F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658127 IJ Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1OC(F)F ZINC000587658130 IJ Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(I)cc1 ZINC000587658168 IJ Annotated Anodyne Cc1ccc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n[nH]2)cc1 ZINC000587658177 IJ Annotated Anodyne Cc1ccc(NC(=O)CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1 ZINC000587658182 IJ Annotated Anodyne COc1ccccc1SCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658256 IJ Annotated Anodyne O=C(CNc1cccc(C(F)(F)F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658310 IJ Annotated Anodyne O=C(c1ccc(F)cc1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658368 IJ Annotated Anodyne Cc1ccc(C)c(NC(=O)CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587658376 IJ Annotated Anodyne CN(C)c1ccc(NC(=S)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587658394 IJ Annotated Anodyne O=C(c1cc(-c2cccs2)on1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658439 IJ Annotated Anodyne O=C(c1cc(F)cc(Br)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658609 IJ Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000587658645 IJ Annotated Anodyne Cc1cc(C(F)F)nn1[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658811 IJ Annotated Anodyne Cc1cc(C(F)F)nn1[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658820 IJ Annotated Anodyne O=C(c1cc(-c2ccc(F)cc2)on1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658901 IJ Annotated Anodyne C[C@H](Oc1ccc2c(c1)CCC2)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658946 IJ Annotated Anodyne C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658948 IJ Annotated Anodyne O=C(COc1ccc(C(F)(F)F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658959 IJ Annotated Anodyne Cc1c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cnn1-c1ccccc1F ZINC000587659006 IJ Annotated Anodyne O=C(CNc1ccc(F)c(Cl)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659014 IJ Annotated Anodyne Cc1c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cnn1-c1ccc(F)cc1 ZINC000587659112 IJ Annotated Anodyne COc1ccc(-c2ccnc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1F ZINC000587659189 IJ Annotated Anodyne O=C(c1ccc(Br)s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659211 IJ Annotated Anodyne O=C(c1cc(F)ccc1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659214 IJ Annotated Anodyne Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659216 IJ Annotated Anodyne Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659218 IJ Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c12 ZINC000587659879 IJ Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1OC(C)C ZINC000587659910 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NCC)c(=O)c3ccccc23)c(O)c1 ZINC000587659978 IJ Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccccn2)nc2c1CCC2 ZINC000587660091 IJ Annotated Anodyne O=C([C@@H]1Cc2c(ccc3ccccc23)O1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660149 IJ Annotated Anodyne O=C([C@H]1Cc2c(ccc3ccccc23)O1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660151 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CC(C)(C)O)c(=O)c3ccccc23)c(O)c1 ZINC000587660231 IJ Annotated Anodyne O=C(CSc1nc2ccccc2o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660336 IJ Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncccc1-c1nc(C2CC2)no1 ZINC000587660517 IJ Annotated Anodyne O=C(c1cc2cc([N+](=O)[O-])ccc2o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660628 IJ Annotated Bother Cc1cc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1[N+](=O)[O-] ZINC000587660636 IJ Annotated Bother Cc1cc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1[N+](=O)[O-] ZINC000587660641 IJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3cnccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660670 IJ Annotated Anodyne Cc1ccc(-n2ncc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2C)cc1 ZINC000587660675 IJ Annotated Anodyne O=C(CSc1nc2ccccc2[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660800 IJ Annotated Anodyne O=C(c1ccc(Br)s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660896 IJ Annotated Anodyne Cc1ccc(C)c(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n[nH]2)c1 ZINC000587660910 IJ Annotated Anodyne Cc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000587660967 IJ Annotated Bother Cc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000587660969 IJ Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)N(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587660975 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661078 IJ Annotated Anodyne CCc1ccc(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n[nH]2)cc1 ZINC000587661197 IJ Annotated Anodyne COc1ccc(OC)c2sc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc12 ZINC000587661253 IJ Annotated Anodyne CCOc1ccc(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1OCC ZINC000587661352 IJ Annotated Anodyne Cn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc2ccccc21 ZINC000587661373 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NC3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587661415 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C[C@@H](O)CC)c(=O)c3ccccc23)c(O)c1 ZINC000587661504 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C[C@H](O)CC)c(=O)c3ccccc23)c(O)c1 ZINC000587661507 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661513 IJ Annotated Anodyne Cc1ccc(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n[nH]2)cc1C ZINC000587661698 IJ Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2cc3c(cc2s1)OCCO3 ZINC000587661724 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CCN(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587661755 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661765 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cncnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661781 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CCCCO)c(=O)c3ccccc23)c(O)c1 ZINC000587661868 IJ Annotated Anodyne CCCc1noc(-c2cccnc2-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587662030 IJ Annotated Anodyne O=C(c1cc(Br)cs1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662128 IJ Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NCCc1ccc(Cl)cc1 ZINC000587662180 IJ Annotated Anodyne Cc1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2c3c(sc2n1)CCC3 ZINC000587662752 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664043 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccnc3C3CCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664238 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)cc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664315 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664430 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587664609 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CS)c(=O)c3ccccc23)c(O)c1 ZINC000587664616 IJ Annotated Mild CCN(CC)c1ccc(-c2nn(C(=O)OCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664693 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664703 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664749 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(=O)O)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664787 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664853 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C)nc(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664913 IJ Annotated Anodyne CCc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587665080 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccnc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587665144 IJ Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NC)c(=O)c3ccccc23)c(O)c1 ZINC000587665148 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665329 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Cl)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665441 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NC3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587665451 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665456 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccccc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665551 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665567 IJ Annotated Bother CCN(CC)c1ccc(-c2nn(-c3nnc(Cl)c(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665700 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C)ccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587665902 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587665914 IJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)Oc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665978 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cnc4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665984 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)oc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666068 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666077 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C)c(C)nc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666221 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc(F)c3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587666285 IJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666835 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667128 IJ Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667363 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667365 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3ccc(F)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667404 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(OC)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667409 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(F)cccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667419 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667431 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667535 IJ Annotated Bother CCN(CC)c1ccc(-c2nn(-c3ncc(Cl)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667576 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(F)cc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667585 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667636 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667795 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667827 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(F)ccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587668007 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587668029 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(F)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587668048 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cl)nc3)c(=O)c3ccccc23)cc1OCC ZINC000587668230 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Cl)ccn3)c(=O)c3ccccc23)cc1OCC ZINC000587668244 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(F)(F)F)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587668292 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccncc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668323 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nccnc3C3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668379 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccsc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668584 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C4CC4)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587668611 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4ccsc34)c(=O)c3ccccc23)c(O)c1 ZINC000587668671 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4sccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587668796 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(C)c3O)c(=O)c3ccccc23)cc1OCC ZINC000587668811 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nccnc3C(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587668859 IJ Annotated Anodyne CCOc1ccc(-c2nn(CCC(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587668900 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc4ccccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668905 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccccn3)c(=O)c3ccccc23)cc1OCC ZINC000587669047 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sc(C)nc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669127 IJ Annotated Anodyne CC[C@H](Br)[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669260 IJ Annotated Reactive CC[C@H](Br)[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669261 IJ Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669262 IJ Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587669263 IJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)Cc3cccs3)c(=O)c3ccccc23)cc1OCC ZINC000587669311 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc4c(c3)OCCO4)c(=O)c3ccccc23)cc1OCC ZINC000587669327 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587669374 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3C(=O)O)c(=O)c3ccccc23)cc1OCC ZINC000587669399 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669403 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccnc(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669520 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4ccsc34)c(=O)c3ccccc23)cc1OCC ZINC000587669565 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669763 IJ Annotated Bother CCOc1ccc(-c2nn(-c3nccnc3C3CCC3)c(=O)c3ccccc23)cc1OCC ZINC000587669769 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587669777 IJ Annotated Bother CCOc1ccc(-c2nn(-c3cnc4ccccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587669839 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669864 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3nc(C)cs3)c(=O)c3ccccc23)cc1OCC ZINC000587669919 IJ Annotated Anodyne CC[C@H](Br)[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670005 IJ Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670006 IJ Annotated Reactive CC[C@H](Br)[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670007 IJ Annotated Reactive CC[C@H](Br)[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670008 IJ Annotated Reactive CCOc1ccc(-c2nn(-c3cc(C(=O)O)ccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670010 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cl)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587670022 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587670064 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587670066 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670221 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(C)s3)c(=O)c3ccccc23)cc1OCC ZINC000587670234 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670265 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Oc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670453 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)nc(SC)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670495 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCCC(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587670499 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(C(=O)OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670502 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCc3cccnc3)c(=O)c3ccccc23)cc1OCC ZINC000587670622 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670629 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587670635 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587670766 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670786 IJ Annotated Anodyne CCc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)s1 ZINC000587670791 IJ Annotated Anodyne CCc1cc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cs1 ZINC000587670817 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670950 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3cccc(F)c3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587671129 IJ Annotated Bother CCOc1ccc(-c2nn(-c3ccc(OC)c(F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671280 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCc3ccco3)c(=O)c3ccccc23)cc1OCC ZINC000587671285 IJ Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587671295 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671327 IJ Annotated Anodyne CCCCCNC(=S)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587671380 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4sccc34)c(=O)c3ccccc23)cc1OCC ZINC000587671516 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3csc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671530 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671635 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCBr)c2)N1 ZINC000587671718 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCBr)c2)N1 ZINC000587671720 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCBr)c2)N1 ZINC000587671721 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCBr)c2)N1 ZINC000587671722 IJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(C)cc3O)c(=O)c3ccccc23)cc1OCC ZINC000587671738 IJ Annotated Anodyne COc1cccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587671787 IJ Annotated Reactive COc1cccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587671790 IJ Annotated Reactive COc1cccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587671791 IJ Annotated Reactive COc1cccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587671792 IJ Annotated Reactive CCOc1ccc(-c2nn(C(=S)NC3CCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587671862 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccsc3)c(=O)c3ccccc23)cc1OCC ZINC000587671975 IJ Annotated Anodyne CCOc1ccc(-c2nn(-c3nnc(C4CC4)s3)c(=O)c3ccccc23)cc1OCC ZINC000587672069 IJ Annotated Anodyne COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672199 IJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672200 IJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672201 IJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587672202 IJ Annotated Reactive CCOc1ccc(-c2nn(C(=S)Nc3cccnc3)c(=O)c3ccccc23)cc1OCC ZINC000587672263 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)oc3C)c(=O)c3ccccc23)cc1OCC ZINC000587672347 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(Cc2ccccc2)N1 ZINC000587672370 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(Cc2ccccc2)N1 ZINC000587672371 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(Cc2ccccc2)N1 ZINC000587672373 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(Cc2ccccc2)N1 ZINC000587672375 IJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672403 IJ Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672405 IJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672407 IJ Annotated Reactive COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587672410 IJ Annotated Reactive CCOc1ccc(-c2nn(C(=O)Cc3cccc(F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587672421 IJ Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587672506 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCBr)cc2)N1 ZINC000587672676 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCBr)cc2)N1 ZINC000587672678 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCBr)cc2)N1 ZINC000587672681 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCBr)cc2)N1 ZINC000587672682 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(COc2ccccc2)N1 ZINC000587672709 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(COc2ccccc2)N1 ZINC000587672710 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(COc2ccccc2)N1 ZINC000587672711 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(COc2ccccc2)N1 ZINC000587672712 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCBr)cc2)N1 ZINC000587672773 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCBr)cc2)N1 ZINC000587672774 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCBr)cc2)N1 ZINC000587672775 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCBr)cc2)N1 ZINC000587672776 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(COc2ccccc2)N1 ZINC000587672969 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(COc2ccccc2)N1 ZINC000587672970 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(COc2ccccc2)N1 ZINC000587672971 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(COc2ccccc2)N1 ZINC000587672973 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCBr)N1 ZINC000587673011 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCBr)N1 ZINC000587673012 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCBr)N1 ZINC000587673013 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCBr)N1 ZINC000587673014 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCBr)c2)N1 ZINC000587673103 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCBr)c2)N1 ZINC000587673104 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCBr)c2)N1 ZINC000587673105 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCBr)c2)N1 ZINC000587673106 IJ Annotated Reactive COc1ccc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587673275 IJ Annotated Clean COc1ccc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587673276 IJ Annotated Clean COc1ccc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587673277 IJ Annotated Clean COc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587673278 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(Cc2ccccc2)N1 ZINC000587673359 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(Cc2ccccc2)N1 ZINC000587673361 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(Cc2ccccc2)N1 ZINC000587673362 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(Cc2ccccc2)N1 ZINC000587673364 IJ Annotated Reactive COc1cccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587673497 IJ Annotated Reactive COc1cccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587673498 IJ Annotated Reactive COc1cccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587673499 IJ Annotated Reactive COc1cccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587673500 IJ Annotated Reactive COc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673509 IJ Annotated Reactive COc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673510 IJ Annotated Reactive COc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673511 IJ Annotated Reactive COc1ccccc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673512 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C#N)c2)N1 ZINC000587673693 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(C#N)c2)N1 ZINC000587673696 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C#N)c2)N1 ZINC000587673697 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(C#N)c2)N1 ZINC000587673698 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCBr)N1 ZINC000587673703 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCBr)N1 ZINC000587673704 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCBr)N1 ZINC000587673705 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCBr)N1 ZINC000587673706 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C#N)cc2)N1 ZINC000587673781 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C#N)cc2)N1 ZINC000587673782 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C#N)cc2)N1 ZINC000587673783 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C#N)cc2)N1 ZINC000587673784 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccnc(Cl)c2)N1 ZINC000587674259 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccnc(Cl)c2)N1 ZINC000587674260 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccnc(Cl)c2)N1 ZINC000587674261 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccnc(Cl)c2)N1 ZINC000587674262 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C#N)cc2)N1 ZINC000587674303 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C#N)cc2)N1 ZINC000587674304 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C#N)cc2)N1 ZINC000587674305 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C#N)cc2)N1 ZINC000587674306 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C#N)c2)N1 ZINC000587674417 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(C#N)c2)N1 ZINC000587674418 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C#N)c2)N1 ZINC000587674419 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(C#N)c2)N1 ZINC000587674420 IJ Annotated Reactive COc1ccc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587674469 IJ Annotated Clean COc1ccc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587674470 IJ Annotated Clean COc1ccc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587674471 IJ Annotated Clean COc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587674472 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccnc(Cl)c2)N1 ZINC000587674492 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccnc(Cl)c2)N1 ZINC000587674494 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccnc(Cl)c2)N1 ZINC000587674495 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccnc(Cl)c2)N1 ZINC000587674496 IJ Annotated Reactive COc1ccccc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674497 IJ Annotated Reactive COc1ccccc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674498 IJ Annotated Reactive COc1ccccc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674499 IJ Annotated Reactive COc1ccccc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674500 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)cc2Br)N1 ZINC000587675239 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)cc2Br)N1 ZINC000587675240 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)cc2Br)N1 ZINC000587675241 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)cc2Br)N1 ZINC000587675242 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c(N)c2)N1 ZINC000587675299 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)c(N)c2)N1 ZINC000587675300 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c(N)c2)N1 ZINC000587675301 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)c(N)c2)N1 ZINC000587675302 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cccc2Br)N1 ZINC000587675303 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cccc2Br)N1 ZINC000587675304 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cccc2Br)N1 ZINC000587675305 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cccc2Br)N1 ZINC000587675306 IJ Annotated Clean COc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675311 IJ Annotated Clean COc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675312 IJ Annotated Clean COc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675313 IJ Annotated Clean COc1cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675314 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Br)N1 ZINC000587675443 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Br)N1 ZINC000587675444 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Br)N1 ZINC000587675445 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Br)N1 ZINC000587675446 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2[N+](=O)[O-])N1 ZINC000587675463 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2[N+](=O)[O-])N1 ZINC000587675464 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2[N+](=O)[O-])N1 ZINC000587675465 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2[N+](=O)[O-])N1 ZINC000587675466 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 ZINC000587675483 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 ZINC000587675484 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 ZINC000587675485 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 ZINC000587675486 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 ZINC000587675491 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 ZINC000587675492 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 ZINC000587675493 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(Br)c2)N1 ZINC000587675494 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(Cc2cccc(Br)c2)N1 ZINC000587675594 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(Cc2cccc(Br)c2)N1 ZINC000587675595 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(Cc2cccc(Br)c2)N1 ZINC000587675596 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(Cc2cccc(Br)c2)N1 ZINC000587675597 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2cccc(Br)c2)N1 ZINC000587675618 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2cccc(Br)c2)N1 ZINC000587675619 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2cccc(Br)c2)N1 ZINC000587675620 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2cccc(Br)c2)N1 ZINC000587675621 IJ Annotated Anodyne Cc1cc(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587675687 IJ Annotated Clean Cc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587675689 IJ Annotated Clean Cc1cc(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587675691 IJ Annotated Clean Cc1cc(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587675692 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C=O)c2Br)N1 ZINC000587675717 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C=O)c2Br)N1 ZINC000587675718 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C=O)c2Br)N1 ZINC000587675719 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C=O)c2Br)N1 ZINC000587675720 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)c2O)N1 ZINC000587675854 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Br)c2O)N1 ZINC000587675855 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)c2O)N1 ZINC000587675856 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Br)c2O)N1 ZINC000587675857 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587675914 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587675915 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587675916 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587675917 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(C=O)c2)N1 ZINC000587675950 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(C=O)c2)N1 ZINC000587675951 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(C=O)c2)N1 ZINC000587675952 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(C=O)c2)N1 ZINC000587675953 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587675998 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587675999 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587676001 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587676003 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1O ZINC000587676054 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1O ZINC000587676056 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1O ZINC000587676058 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1O ZINC000587676059 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676067 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676068 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676069 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676071 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2N)N1 ZINC000587676178 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2N)N1 ZINC000587676179 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2N)N1 ZINC000587676180 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2N)N1 ZINC000587676181 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2C(=O)O)N1 ZINC000587676270 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2C(=O)O)N1 ZINC000587676271 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2C(=O)O)N1 ZINC000587676272 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2C(=O)O)N1 ZINC000587676273 IJ Annotated Anodyne Cc1nc(O)c(Br)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676276 IJ Annotated Anodyne Cc1nc(O)c(Br)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676277 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)c2O)N1 ZINC000587676278 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Br)c2O)N1 ZINC000587676279 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)c2O)N1 ZINC000587676280 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Br)c2O)N1 ZINC000587676281 IJ Annotated Clean Cc1nc(O)c(Br)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676478 IJ Annotated Anodyne Cc1nc(O)c(Br)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676479 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)cc2Br)N1 ZINC000587676609 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)cc2Br)N1 ZINC000587676611 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)cc2Br)N1 ZINC000587676613 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)cc2Br)N1 ZINC000587676614 IJ Annotated Anodyne Cc1cc(Br)c(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587676674 IJ Annotated Clean Cc1cc(Br)c(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587676675 IJ Annotated Clean Cc1cc(Br)c(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587676676 IJ Annotated Clean Cc1cc(Br)c(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587676677 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2O)N1 ZINC000587676801 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2O)N1 ZINC000587676803 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2O)N1 ZINC000587676804 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2O)N1 ZINC000587676805 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587676828 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587676829 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587676830 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc([N+](=O)[O-])c2)N1 ZINC000587676831 IJ Annotated Bother COc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676854 IJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676855 IJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676856 IJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676857 IJ Annotated Anodyne COc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677157 IJ Annotated Anodyne COc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677158 IJ Annotated Anodyne COc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677160 IJ Annotated Anodyne COc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677163 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2O)N1 ZINC000587677164 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2O)N1 ZINC000587677166 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2O)N1 ZINC000587677167 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2O)N1 ZINC000587677170 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2C(=O)O)N1 ZINC000587677258 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2C(=O)O)N1 ZINC000587677261 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2C(=O)O)N1 ZINC000587677263 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2Br)N1 ZINC000587677264 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2C(=O)O)N1 ZINC000587677265 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)cc2Br)N1 ZINC000587677266 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2Br)N1 ZINC000587677269 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)cc2Br)N1 ZINC000587677272 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc3c2OCC3)N1 ZINC000587677286 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc3c2OCC3)N1 ZINC000587677290 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc3c2OCC3)N1 ZINC000587677293 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc3c2OCC3)N1 ZINC000587677296 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1Br ZINC000587677331 IJ Annotated Clean COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1Br ZINC000587677333 IJ Annotated Clean COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1Br ZINC000587677336 IJ Annotated Clean COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1Br ZINC000587677338 IJ Annotated Clean COc1c(Br)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677346 IJ Annotated Anodyne COc1c(Br)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677348 IJ Annotated Anodyne COc1c(Br)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677350 IJ Annotated Anodyne COc1c(Br)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677351 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1O ZINC000587677396 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1O ZINC000587677398 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1O ZINC000587677399 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1O ZINC000587677401 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn3c(Br)cnc23)N1 ZINC000587677412 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn3c(Br)cnc23)N1 ZINC000587677413 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn3c(Br)cnc23)N1 ZINC000587677414 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn3c(Br)cnc23)N1 ZINC000587677415 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3nccc(Br)c23)N1 ZINC000587677448 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3nccc(Br)c23)N1 ZINC000587677449 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3nccc(Br)c23)N1 ZINC000587677450 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3nccc(Br)c23)N1 ZINC000587677451 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3ccc(Br)cc3n2)N1 ZINC000587677464 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3ccc(Br)cc3n2)N1 ZINC000587677465 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3ccc(Br)cc3n2)N1 ZINC000587677466 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3ccc(Br)cc3n2)N1 ZINC000587677467 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(Br)cnc23)N1 ZINC000587677489 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(Br)cnc23)N1 ZINC000587677490 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(Br)cnc23)N1 ZINC000587677491 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(Br)cnc23)N1 ZINC000587677492 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(C=O)c2)N1 ZINC000587677587 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(C=O)c2)N1 ZINC000587677589 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(C=O)c2)N1 ZINC000587677592 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(C=O)c2)N1 ZINC000587677593 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587677688 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587677691 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2N)N1 ZINC000587677699 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2N)N1 ZINC000587677701 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2N)N1 ZINC000587677704 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587677706 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2N)N1 ZINC000587677708 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Br ZINC000587677709 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccc3c2OCO3)N1 ZINC000587677733 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1O ZINC000587677736 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1O ZINC000587677739 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)ccc3c2OCO3)N1 ZINC000587677740 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1O ZINC000587677742 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccc3c2OCO3)N1 ZINC000587677743 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1O ZINC000587677745 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)ccc3c2OCO3)N1 ZINC000587677747 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677801 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677803 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677806 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587677808 IJ Annotated Anodyne Cc1nn(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Br ZINC000587677827 IJ Annotated Anodyne Cc1nn(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Br ZINC000587677835 IJ Annotated Anodyne Cc1nn(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Br ZINC000587677838 IJ Annotated Anodyne Cc1nn(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Br ZINC000587677841 IJ Annotated Anodyne COc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587677844 IJ Annotated Clean COc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587677846 IJ Annotated Clean COc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587677848 IJ Annotated Clean COc1cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587677850 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2Br)OCO3)N1 ZINC000587677858 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2Br)OCO3)N1 ZINC000587677860 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2Br)OCO3)N1 ZINC000587677862 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2Br)OCO3)N1 ZINC000587677869 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3cc(Br)ccc3n2)N1 ZINC000587677920 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3cc(Br)ccc3n2)N1 ZINC000587677921 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3cc(Br)ccc3n2)N1 ZINC000587677922 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3cc(Br)ccc3n2)N1 ZINC000587677923 IJ Annotated Anodyne CCOC(=O)C[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677940 IJ Annotated Anodyne CCOC(=O)C[C@@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677941 IJ Annotated Anodyne CCOC(=O)C[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677942 IJ Annotated Anodyne CCOC(=O)C[C@@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677943 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C[C@@H]2Br ZINC000587677988 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C[C@H]2Br ZINC000587677989 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C[C@@H]2Br ZINC000587677990 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C[C@H]2Br ZINC000587677991 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3cccc(Br)c3C2)N1 ZINC000587677996 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3cccc(Br)c3C2)N1 ZINC000587677997 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3cccc(Br)c3C2)N1 ZINC000587677998 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3cccc(Br)c3C2)N1 ZINC000587677999 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c(N)c2)N1 ZINC000587678025 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)c(N)c2)N1 ZINC000587678027 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c(N)c2)N1 ZINC000587678028 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)c(N)c2)N1 ZINC000587678030 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cncc(Br)c2)N1 ZINC000587678062 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2cncc(Br)c2)N1 ZINC000587678065 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cncc(Br)c2)N1 ZINC000587678068 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2cncc(Br)c2)N1 ZINC000587678071 IJ Annotated Anodyne COc1cccc(Br)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678091 IJ Annotated Anodyne COc1cccc(Br)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678094 IJ Annotated Anodyne COc1cccc(Br)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678097 IJ Annotated Anodyne COc1cccc(Br)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678099 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1O ZINC000587678152 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1O ZINC000587678153 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1O ZINC000587678154 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1O ZINC000587678155 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2ccc(Br)cc2)N1 ZINC000587678388 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2ccc(Br)cc2)N1 ZINC000587678389 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2ccc(Br)cc2)N1 ZINC000587678390 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2ccc(Br)cc2)N1 ZINC000587678391 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3c(Br)cccc3n2)N1 ZINC000587678420 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3c(Br)cccc3n2)N1 ZINC000587678421 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3c(Br)cccc3n2)N1 ZINC000587678422 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3c(Br)cccc3n2)N1 ZINC000587678423 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn3cc(Br)nc23)N1 ZINC000587678444 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn3cc(Br)nc23)N1 ZINC000587678445 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn3cc(Br)nc23)N1 ZINC000587678446 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn3cc(Br)nc23)N1 ZINC000587678447 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc([N+](=O)[O-])c2Br)N1 ZINC000587678481 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc([N+](=O)[O-])c2Br)N1 ZINC000587678482 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc([N+](=O)[O-])c2Br)N1 ZINC000587678483 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc([N+](=O)[O-])c2Br)N1 ZINC000587678485 IJ Annotated Bother COc1cc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O ZINC000587678596 IJ Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O ZINC000587678597 IJ Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O ZINC000587678598 IJ Annotated Anodyne COc1cc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O ZINC000587678599 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587678620 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587678621 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587678622 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587678623 IJ Annotated Bother COc1cc(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587678624 IJ Annotated Clean COc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587678625 IJ Annotated Clean COc1cc(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587678626 IJ Annotated Clean COc1cc(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587678627 IJ Annotated Clean Cc1nn(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Br ZINC000587678628 IJ Annotated Anodyne Cc1nn(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Br ZINC000587678629 IJ Annotated Anodyne Cc1nn(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Br ZINC000587678630 IJ Annotated Anodyne Cc1nn(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Br ZINC000587678631 IJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678640 IJ Annotated Anodyne COc1ccc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678641 IJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678642 IJ Annotated Anodyne COc1ccc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678644 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c3c(c2)CCO3)N1 ZINC000587678715 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c3c(c2)CCO3)N1 ZINC000587678718 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(C(=O)O)c2)N1 ZINC000587678719 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c3c(c2)CCO3)N1 ZINC000587678721 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(C(=O)O)c2)N1 ZINC000587678722 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c3c(c2)CCO3)N1 ZINC000587678724 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(C(=O)O)c2)N1 ZINC000587678725 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(C(=O)O)c2)N1 ZINC000587678727 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(Cc2cccc(Br)c2)N1 ZINC000587678754 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(Cc2cccc(Br)c2)N1 ZINC000587678755 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(Cc2cccc(Br)c2)N1 ZINC000587678756 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(Cc2cccc(Br)c2)N1 ZINC000587678757 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587678767 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587678770 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587678772 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587678774 IJ Annotated Bother COc1ccc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587678912 IJ Annotated Anodyne COc1ccc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587678914 IJ Annotated Anodyne COc1ccc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587678915 IJ Annotated Anodyne COc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587678917 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc3c2OCC3)N1 ZINC000587678964 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc3c2OCC3)N1 ZINC000587678966 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc3c2OCC3)N1 ZINC000587678968 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc3c2OCC3)N1 ZINC000587678970 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cccc2Br)N1 ZINC000587679027 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cccc2Br)N1 ZINC000587679030 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cccc2Br)N1 ZINC000587679032 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cccc2Br)N1 ZINC000587679034 IJ Annotated Clean COc1cc(Br)c(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587679041 IJ Annotated Clean COc1cc(Br)c(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587679043 IJ Annotated Clean COc1cc(Br)c(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587679045 IJ Annotated Clean COc1cc(Br)c(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587679047 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2[N+](=O)[O-])N1 ZINC000587679060 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2[N+](=O)[O-])N1 ZINC000587679061 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2[N+](=O)[O-])N1 ZINC000587679063 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2[N+](=O)[O-])N1 ZINC000587679064 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2Br)N1 ZINC000587679096 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)cc2Br)N1 ZINC000587679098 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2Br)N1 ZINC000587679100 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)cc2Br)N1 ZINC000587679102 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2cccc(Br)c2)N1 ZINC000587679108 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2cccc(Br)c2)N1 ZINC000587679109 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2cccc(Br)c2)N1 ZINC000587679110 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2cccc(Br)c2)N1 ZINC000587679111 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccc3c2OCO3)N1 ZINC000587679124 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)ccc3c2OCO3)N1 ZINC000587679125 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccc3c2OCO3)N1 ZINC000587679126 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)ccc3c2OCO3)N1 ZINC000587679127 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2N)N1 ZINC000587679207 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2N)N1 ZINC000587679210 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2N)N1 ZINC000587679211 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587679215 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2N)N1 ZINC000587679216 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587679219 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587679222 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Br ZINC000587679226 IJ Annotated Anodyne COc1ccc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587679339 IJ Annotated Anodyne COc1ccc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587679343 IJ Annotated Anodyne COc1ccc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587679348 IJ Annotated Anodyne COc1ccc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587679351 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c3c(c2)OCO3)N1 ZINC000587679377 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c3c(c2)OCO3)N1 ZINC000587679381 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c3c(c2)OCO3)N1 ZINC000587679385 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c3c(c2)OCO3)N1 ZINC000587679390 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)c(Br)c2)N1 ZINC000587679489 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N)c(Br)c2)N1 ZINC000587679492 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)c(Br)c2)N1 ZINC000587679495 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N)c(Br)c2)N1 ZINC000587679497 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccccc2Br)N1 ZINC000587679646 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccccc2Br)N1 ZINC000587679647 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccccc2Br)N1 ZINC000587679648 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccccc2Br)N1 ZINC000587679649 IJ Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O ZINC000587679763 IJ Annotated Anodyne COc1cc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O ZINC000587679765 IJ Annotated Anodyne COc1cc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O ZINC000587679766 IJ Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O ZINC000587679769 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccc(Br)cc32)N1 ZINC000587679901 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccc(Br)cc32)N1 ZINC000587679917 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccc(Br)cc32)N1 ZINC000587679921 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccc(Br)cc32)N1 ZINC000587679923 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccc(Br)cc2)N1 ZINC000587679986 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccc(Br)cc2)N1 ZINC000587679987 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccc(Br)cc2)N1 ZINC000587679988 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccc(Br)cc2)N1 ZINC000587679989 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C=O)c2Br)N1 ZINC000587680152 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C=O)c2Br)N1 ZINC000587680153 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C=O)c2Br)N1 ZINC000587680154 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C=O)c2Br)N1 ZINC000587680155 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587680172 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587680173 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587680174 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587680175 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc([N+](=O)[O-])c2Br)N1 ZINC000587680184 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc([N+](=O)[O-])c2Br)N1 ZINC000587680185 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc([N+](=O)[O-])c2Br)N1 ZINC000587680186 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc([N+](=O)[O-])c2Br)N1 ZINC000587680187 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=COc1ccccc12 ZINC000587680380 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=COc1ccccc12 ZINC000587680381 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=COc1ccccc12 ZINC000587680382 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=COc1ccccc12 ZINC000587680383 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3cccc(Br)c3n2)N1 ZINC000587680392 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3cccc(Br)c3n2)N1 ZINC000587680393 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3cccc(Br)c3n2)N1 ZINC000587680394 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3cccc(Br)c3n2)N1 ZINC000587680395 IJ Annotated Anodyne COc1cccc(Br)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680648 IJ Annotated Anodyne COc1cccc(Br)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680649 IJ Annotated Anodyne COc1cccc(Br)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680650 IJ Annotated Anodyne COc1cccc(Br)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680651 IJ Annotated Anodyne Cc1cc(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587680712 IJ Annotated Clean Cc1cc(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587680713 IJ Annotated Clean Cc1cc(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587680714 IJ Annotated Clean Cc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587680715 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2ccccc2Br)N1 ZINC000587680917 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2ccccc2Br)N1 ZINC000587680918 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2ccccc2Br)N1 ZINC000587680920 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2ccccc2Br)N1 ZINC000587680922 IJ Annotated Anodyne COc1c(Br)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680928 IJ Annotated Anodyne COc1c(Br)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680930 IJ Annotated Anodyne COc1c(Br)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680932 IJ Annotated Anodyne COc1c(Br)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680933 IJ Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681067 IJ Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681105 IJ Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681111 IJ Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681116 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccn3c2Br)N1 ZINC000587681138 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccn3c2Br)N1 ZINC000587681142 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccn3c2Br)N1 ZINC000587681146 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccn3c2Br)N1 ZINC000587681148 IJ Annotated Anodyne COc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681212 IJ Annotated Anodyne COc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681213 IJ Annotated Anodyne COc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681214 IJ Annotated Anodyne COc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681215 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2cccc(Br)c2)N1 ZINC000587681216 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2cccc(Br)c2)N1 ZINC000587681217 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2cccc(Br)c2)N1 ZINC000587681218 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2cccc(Br)c2)N1 ZINC000587681219 IJ Annotated Mild COc1cc(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587681220 IJ Annotated Anodyne COc1cc(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587681221 IJ Annotated Anodyne COc1cc(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587681222 IJ Annotated Anodyne COc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587681223 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587681236 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587681237 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587681238 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2[N+](=O)[O-])N1 ZINC000587681239 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2cccc(Br)c2)N1 ZINC000587681261 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2cccc(Br)c2)N1 ZINC000587681262 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2cccc(Br)c2)N1 ZINC000587681263 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2cccc(Br)c2)N1 ZINC000587681264 IJ Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ncc1Br ZINC000587681472 IJ Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ncc1Br ZINC000587681476 IJ Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ncc1Br ZINC000587681478 IJ Annotated Anodyne Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ncc1Br ZINC000587681480 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587681492 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587681494 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587681497 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1 ZINC000587681499 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3ccc(Br)cc32)N1 ZINC000587681616 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3ccc(Br)cc32)N1 ZINC000587681618 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3ccc(Br)cc32)N1 ZINC000587681621 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3ccc(Br)cc32)N1 ZINC000587681623 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc3[nH]ncc23)N1 ZINC000587681694 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc3[nH]ncc23)N1 ZINC000587681695 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc3[nH]ncc23)N1 ZINC000587681696 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc3[nH]ncc23)N1 ZINC000587681697 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CCl)c3c(c2)COCO3)N1 ZINC000587681732 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CCl)c3c(c2)COCO3)N1 ZINC000587681733 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CCl)c3c(c2)COCO3)N1 ZINC000587681734 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CCl)c3c(c2)COCO3)N1 ZINC000587681735 IJ Annotated Reactive Cc1cc(Br)c(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587681816 IJ Annotated Clean Cc1cc(Br)c(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587681817 IJ Annotated Clean Cc1cc(Br)c(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587681818 IJ Annotated Clean Cc1cc(Br)c(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587681819 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccn3c2Br)N1 ZINC000587681820 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccn3c2Br)N1 ZINC000587681822 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccn3c2Br)N1 ZINC000587681824 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccn3c2Br)N1 ZINC000587681826 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681850 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681852 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681854 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681855 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(Br)ncc23)N1 ZINC000587681868 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(Br)ncc23)N1 ZINC000587681870 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(Br)ncc23)N1 ZINC000587681872 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(Br)ncc23)N1 ZINC000587681875 IJ Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681877 IJ Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681880 IJ Annotated Reactive Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681883 IJ Annotated Reactive Cc1[nH]c2ccccc2c1[C@@]1(C(=O)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681887 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(Br)o2)N1 ZINC000587681890 IJ Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1O ZINC000587681899 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1O ZINC000587681901 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1O ZINC000587681903 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1O ZINC000587681904 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(Br)o2)N1 ZINC000587681926 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(Br)o2)N1 ZINC000587681928 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(Br)o2)N1 ZINC000587681931 IJ Annotated Mild COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1O ZINC000587681966 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1O ZINC000587681969 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1O ZINC000587681970 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1O ZINC000587681973 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2ccc(Br)cc2)N1 ZINC000587682224 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2ccc(Br)cc2)N1 ZINC000587682225 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2ccc(Br)cc2)N1 ZINC000587682226 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2ccc(Br)cc2)N1 ZINC000587682227 IJ Annotated Mild Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ncc1Br ZINC000587682239 IJ Annotated Anodyne Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ncc1Br ZINC000587682242 IJ Annotated Anodyne Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ncc1Br ZINC000587682244 IJ Annotated Anodyne Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ncc1Br ZINC000587682246 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccc(Br)cc32)N1 ZINC000587682314 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccc(Br)cc32)N1 ZINC000587682316 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccc(Br)cc32)N1 ZINC000587682318 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccc(Br)cc32)N1 ZINC000587682320 IJ Annotated Anodyne Cc1cc(Br)cnc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682360 IJ Annotated Anodyne Cc1cc(Br)cnc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682361 IJ Annotated Anodyne Cc1cc(Br)cnc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682363 IJ Annotated Anodyne Cc1cc(Br)cnc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682365 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2ccc(Br)cc2)N1 ZINC000587682373 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2ccc(Br)cc2)N1 ZINC000587682375 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2ccc(Br)cc2)N1 ZINC000587682376 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2ccc(Br)cc2)N1 ZINC000587682378 IJ Annotated Mild COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1Br ZINC000587682435 IJ Annotated Clean COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1Br ZINC000587682436 IJ Annotated Clean COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1Br ZINC000587682437 IJ Annotated Clean COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1Br ZINC000587682439 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)c(Br)c2)N1 ZINC000587682479 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N)c(Br)c2)N1 ZINC000587682481 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)c(Br)c2)N1 ZINC000587682482 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N)c(Br)c2)N1 ZINC000587682483 IJ Annotated Anodyne CCC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682489 IJ Annotated Reactive COc1cc(Br)c(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587682491 IJ Annotated Clean COc1cc(Br)c(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587682492 IJ Annotated Clean CCC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682493 IJ Annotated Reactive COc1cc(Br)c(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587682494 IJ Annotated Clean CCC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682495 IJ Annotated Reactive COc1cc(Br)c(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587682496 IJ Annotated Clean CCC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682497 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587682592 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587682601 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587682603 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587682605 IJ Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587682608 IJ Annotated Reactive CC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587682621 IJ Annotated Reactive CC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587682625 IJ Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587682629 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2O)N1 ZINC000587682652 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2O)N1 ZINC000587682655 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3[nH]nc(Br)c3c2)N1 ZINC000587682657 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2O)N1 ZINC000587682658 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3[nH]nc(Br)c3c2)N1 ZINC000587682659 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2O)N1 ZINC000587682660 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3[nH]nc(Br)c3c2)N1 ZINC000587682662 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3[nH]nc(Br)c3c2)N1 ZINC000587682664 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2O)N1 ZINC000587682668 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2O)N1 ZINC000587682670 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2O)N1 ZINC000587682671 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2O)N1 ZINC000587682673 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3cccc(Br)c32)N1 ZINC000587682752 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3cccc(Br)c32)N1 ZINC000587682755 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3cccc(Br)c32)N1 ZINC000587682757 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3cccc(Br)c32)N1 ZINC000587682760 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3cccc(Br)c3C2)N1 ZINC000587682762 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3cccc(Br)c3C2)N1 ZINC000587682765 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3cccc(Br)c3C2)N1 ZINC000587682767 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3cccc(Br)c3C2)N1 ZINC000587682769 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3ccc(Br)cc23)N1 ZINC000587682847 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3ccc(Br)cc23)N1 ZINC000587682848 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3ccc(Br)cc23)N1 ZINC000587682849 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3ccc(Br)cc23)N1 ZINC000587682850 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3ccc(Br)cc32)N1 ZINC000587682867 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3ccc(Br)cc32)N1 ZINC000587682868 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3ccc(Br)cc32)N1 ZINC000587682869 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3ccc(Br)cc32)N1 ZINC000587682870 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(N)c(Br)c32)N1 ZINC000587682875 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(N)c(Br)c32)N1 ZINC000587682878 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(N)c(Br)c32)N1 ZINC000587682879 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(N)c(Br)c32)N1 ZINC000587682880 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc(Br)ccc32)N1 ZINC000587682895 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc(Br)ccc32)N1 ZINC000587682897 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc(Br)ccc32)N1 ZINC000587682900 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc(Br)ccc32)N1 ZINC000587682902 IJ Annotated Anodyne CCOC(=O)C[C@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683100 IJ Annotated Anodyne CCOC(=O)C[C@@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683102 IJ Annotated Anodyne CCOC(=O)C[C@]1(C(Cl)(Cl)Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683104 IJ Annotated Anodyne CCOC(=O)C[C@@]1(C(Cl)(Cl)Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683106 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2N)N1 ZINC000587683147 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2N)N1 ZINC000587683150 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2N)N1 ZINC000587683152 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2N)N1 ZINC000587683154 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587683208 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587683211 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587683214 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2[N+](=O)[O-])N1 ZINC000587683217 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)OCCCO3)N1 ZINC000587683269 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)OCCCO3)N1 ZINC000587683272 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)OCCCO3)N1 ZINC000587683275 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)OCCCO3)N1 ZINC000587683278 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(C(=O)O)c2)N1 ZINC000587683282 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(C(=O)O)c2)N1 ZINC000587683283 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(C(=O)O)c2)N1 ZINC000587683285 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(C(=O)O)c2)N1 ZINC000587683288 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)Cc2cccc(Br)c2)N1 ZINC000587683299 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)Cc2cccc(Br)c2)N1 ZINC000587683301 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CCl)c3c(c2)COCO3)N1 ZINC000587683304 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)Cc2cccc(Br)c2)N1 ZINC000587683305 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)Cc2cccc(Br)c2)N1 ZINC000587683306 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CCl)c3c(c2)COCO3)N1 ZINC000587683307 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CCl)c3c(c2)COCO3)N1 ZINC000587683312 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CCl)c3c(c2)COCO3)N1 ZINC000587683314 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=COc1ccccc12 ZINC000587683331 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=COc1ccccc12 ZINC000587683335 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)Cc2cccc(Br)c2)N1 ZINC000587683336 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=COc1ccccc12 ZINC000587683338 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)Cc2cccc(Br)c2)N1 ZINC000587683339 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=COc1ccccc12 ZINC000587683341 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)Cc2cccc(Br)c2)N1 ZINC000587683342 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)Cc2cccc(Br)c2)N1 ZINC000587683346 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 ZINC000587683363 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 ZINC000587683364 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 ZINC000587683365 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 ZINC000587683366 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3nccc(Br)c23)N1 ZINC000587683379 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3nccc(Br)c23)N1 ZINC000587683380 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCl)N1 ZINC000587683508 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCl)N1 ZINC000587683509 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCl)N1 ZINC000587683510 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCl)N1 ZINC000587683511 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)CCl)c2)N1 ZINC000587683743 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)CCl)c2)N1 ZINC000587683746 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)CCl)c2)N1 ZINC000587683748 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)CCl)c2)N1 ZINC000587683751 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3nccc(Br)c23)N1 ZINC000587683761 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3nccc(Br)c23)N1 ZINC000587683765 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3c(Br)cccc32)N1 ZINC000587683795 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3c(Br)cccc32)N1 ZINC000587683798 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3c(Br)cccc32)N1 ZINC000587683800 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3c(Br)cccc32)N1 ZINC000587683803 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3c(Br)cccc32)N1 ZINC000587683941 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3c(Br)cccc32)N1 ZINC000587683943 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3c(Br)cccc32)N1 ZINC000587683945 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3c(Br)cccc32)N1 ZINC000587683947 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3cc(Br)ccc3n2)N1 ZINC000587683949 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3cc(Br)ccc3n2)N1 ZINC000587683950 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3cc(Br)ccc3n2)N1 ZINC000587683951 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3cc(Br)ccc3n2)N1 ZINC000587683952 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2nnc(-c3ccccc3)o2)N1 ZINC000587684004 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2nnc(-c3ccccc3)o2)N1 ZINC000587684005 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2nnc(-c3ccccc3)o2)N1 ZINC000587684006 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2nnc(-c3ccccc3)o2)N1 ZINC000587684007 IJ Annotated Reactive CC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684056 IJ Annotated Reactive CC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684057 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684058 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684059 IJ Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684076 IJ Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684077 IJ Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684078 IJ Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684079 IJ Annotated Reactive COc1cc(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587684141 IJ Annotated Clean COc1cc(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587684142 IJ Annotated Clean COc1cc(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587684143 IJ Annotated Clean COc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587684144 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(N)c(Br)c32)N1 ZINC000587684302 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(N)c(Br)c32)N1 ZINC000587684303 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(N)c(Br)c32)N1 ZINC000587684305 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(N)c(Br)c32)N1 ZINC000587684308 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3[nH]nc(Br)c3c2)N1 ZINC000587684497 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3[nH]nc(Br)c3c2)N1 ZINC000587684499 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3[nH]nc(Br)c3c2)N1 ZINC000587684501 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3[nH]nc(Br)c3c2)N1 ZINC000587684503 IJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684528 IJ Annotated Reactive CC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684530 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684532 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684534 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCCl)N1 ZINC000587684572 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCCl)N1 ZINC000587684573 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCCl)N1 ZINC000587684574 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCCl)N1 ZINC000587684575 IJ Annotated Reactive Cc1nc(O)c(Br)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684600 IJ Annotated Anodyne Cc1nc(O)c(Br)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684601 IJ Annotated Anodyne Cc1nc(O)c(Br)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684602 IJ Annotated Anodyne Cc1nc(O)c(Br)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684603 IJ Annotated Anodyne COc1cc(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587684620 IJ Annotated Anodyne COc1cc(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587684621 IJ Annotated Anodyne COc1cc(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587684622 IJ Annotated Anodyne COc1cc(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587684623 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 ZINC000587684707 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 ZINC000587684709 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 ZINC000587684710 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)cc(O)n3C)N1 ZINC000587684711 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2nnc(-c3ccccc3)o2)N1 ZINC000587684740 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2nnc(-c3ccccc3)o2)N1 ZINC000587684741 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2nnc(-c3ccccc3)o2)N1 ZINC000587684742 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2nnc(-c3ccccc3)o2)N1 ZINC000587684743 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)CCCl)cc2)N1 ZINC000587684768 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)CCCl)cc2)N1 ZINC000587684769 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)CCCl)cc2)N1 ZINC000587684770 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)CCCl)cc2)N1 ZINC000587684771 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc(Br)ccc32)N1 ZINC000587684804 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc(Br)ccc32)N1 ZINC000587684805 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc(Br)ccc32)N1 ZINC000587684806 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc(Br)ccc32)N1 ZINC000587684807 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cncc(Br)c2)N1 ZINC000587684820 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cncc(Br)c2)N1 ZINC000587684821 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2cncc(Br)c2)N1 ZINC000587684822 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2cncc(Br)c2)N1 ZINC000587684823 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)ccc(O)c32)N1 ZINC000587684844 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)ccc(O)c32)N1 ZINC000587684845 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)ccc(O)c32)N1 ZINC000587684846 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)ccc(O)c32)N1 ZINC000587684847 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ncc(Br)cc23)N1 ZINC000587684856 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ncc(Br)cc23)N1 ZINC000587684857 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ncc(Br)cc23)N1 ZINC000587684858 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ncc(Br)cc23)N1 ZINC000587684859 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ncc(Br)cc23)N1 ZINC000587684895 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ncc(Br)cc23)N1 ZINC000587684897 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ncc(Br)cc23)N1 ZINC000587684898 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ncc(Br)cc23)N1 ZINC000587684900 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3c(Br)cccc3n2)N1 ZINC000587685007 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3c(Br)cccc3n2)N1 ZINC000587685010 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3c(Br)cccc3n2)N1 ZINC000587685013 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3c(Br)cccc3n2)N1 ZINC000587685016 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3ccc(Br)cc3n2)N1 ZINC000587685070 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3ccc(Br)cc3n2)N1 ZINC000587685073 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3ccc(Br)cc3n2)N1 ZINC000587685076 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3ccc(Br)cc3n2)N1 ZINC000587685078 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(Br)cccc32)N1 ZINC000587685124 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(Br)cccc32)N1 ZINC000587685126 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(Br)cccc32)N1 ZINC000587685128 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(Br)cccc32)N1 ZINC000587685131 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccc(Br)cn23)N1 ZINC000587685163 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccc(Br)cn23)N1 ZINC000587685164 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccc(Br)cn23)N1 ZINC000587685167 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccc(Br)cn23)N1 ZINC000587685170 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 ZINC000587685210 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 ZINC000587685211 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 ZINC000587685212 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 ZINC000587685213 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)OCCCO3)N1 ZINC000587685258 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)OCCCO3)N1 ZINC000587685259 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)OCCCO3)N1 ZINC000587685260 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)OCCCO3)N1 ZINC000587685261 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C)N(C(=O)CCl)C(C)(C)C2)N1 ZINC000587685314 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(Br)o2)N1 ZINC000587685316 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(Br)o2)N1 ZINC000587685317 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(Br)o2)N1 ZINC000587685319 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(Br)o2)N1 ZINC000587685321 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C)N(C(=O)CCl)C(C)(C)C2)N1 ZINC000587685322 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3ccc(Br)cc23)N1 ZINC000587685377 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3ccc(Br)cc23)N1 ZINC000587685380 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3ccc(Br)cc23)N1 ZINC000587685382 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3ccc(Br)cc23)N1 ZINC000587685385 IJ Annotated Anodyne Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685466 IJ Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685469 IJ Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685470 IJ Annotated Reactive Cc1[nH]c(C(=O)CCl)c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685472 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCCl)N1 ZINC000587685481 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)CCCl)N1 ZINC000587685483 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCCl)N1 ZINC000587685485 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)CCCl)N1 ZINC000587685487 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c3c(c2)CCO3)N1 ZINC000587685572 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c3c(c2)CCO3)N1 ZINC000587685573 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c3c(c2)CCO3)N1 ZINC000587685574 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c3c(c2)CCO3)N1 ZINC000587685575 IJ Annotated Anodyne CC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587685648 IJ Annotated Reactive CC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587685650 IJ Annotated Reactive CC(=O)c1c(C)[nH]c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587685652 IJ Annotated Reactive CC(=O)c1c(C)[nH]c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587685655 IJ Annotated Reactive COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587685715 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2Br)OCO3)N1 ZINC000587685730 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2Br)OCO3)N1 ZINC000587685732 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2Br)OCO3)N1 ZINC000587685734 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2Br)OCO3)N1 ZINC000587685735 IJ Annotated Anodyne COc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587685736 IJ Annotated Reactive COc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587685739 IJ Annotated Reactive COc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587685742 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587685942 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587685945 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn3cc(Br)nc23)N1 ZINC000587685946 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587685947 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn3cc(Br)nc23)N1 ZINC000587685948 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccc3c(c2)OCCO3)N1 ZINC000587685949 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn3cc(Br)nc23)N1 ZINC000587685950 IJ Annotated Anodyne Cc1cc(Br)cnc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685952 IJ Annotated Anodyne Cc1cc(Br)cnc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685953 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn3cc(Br)nc23)N1 ZINC000587685954 IJ Annotated Anodyne Cc1cc(Br)cnc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685956 IJ Annotated Anodyne Cc1cc(Br)cnc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685959 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3cccc(Br)c32)N1 ZINC000587686033 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3cccc(Br)c32)N1 ZINC000587686035 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3cccc(Br)c32)N1 ZINC000587686037 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3cccc(Br)c32)N1 ZINC000587686040 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(Br)cnc23)N1 ZINC000587686048 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(Br)cnc23)N1 ZINC000587686052 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(Br)cnc23)N1 ZINC000587686055 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(Br)cnc23)N1 ZINC000587686057 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc3[nH]ncc23)N1 ZINC000587686109 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc3[nH]ncc23)N1 ZINC000587686113 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc3[nH]ncc23)N1 ZINC000587686118 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc3[nH]ncc23)N1 ZINC000587686121 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)CCCl)cc2)N1 ZINC000587686154 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)CCCl)cc2)N1 ZINC000587686156 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)CCCl)cc2)N1 ZINC000587686159 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)CCCl)cc2)N1 ZINC000587686162 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587686186 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587686191 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587686194 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587686197 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 ZINC000587686249 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 ZINC000587686253 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 ZINC000587686256 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 ZINC000587686258 IJ Annotated Reactive COc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587686332 IJ Annotated Reactive COc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587686333 IJ Annotated Reactive COc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587686334 IJ Annotated Reactive COc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587686335 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCl)N1 ZINC000587686366 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)CCl)N1 ZINC000587686367 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCl)N1 ZINC000587686368 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)CCl)N1 ZINC000587686369 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 ZINC000587686410 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 ZINC000587686411 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 ZINC000587686412 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc(CCl)c2O)N1 ZINC000587686413 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)[C@@H](C)Cl)c2)N1 ZINC000587686456 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)[C@@H](C)Cl)c2)N1 ZINC000587686457 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587686458 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587686459 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn3c(Br)cnc23)N1 ZINC000587686472 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn3c(Br)cnc23)N1 ZINC000587686474 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn3c(Br)cnc23)N1 ZINC000587686476 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn3c(Br)cnc23)N1 ZINC000587686479 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)[C@@H](C)Cl)cc2)N1 ZINC000587686487 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)[C@@H](C)Cl)cc2)N1 ZINC000587686490 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686493 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686496 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3cccc(Br)c3n2)N1 ZINC000587686628 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3cccc(Br)c3n2)N1 ZINC000587686631 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3cccc(Br)c3n2)N1 ZINC000587686634 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3cccc(Br)c3n2)N1 ZINC000587686636 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)CCl)c2)N1 ZINC000587686853 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)CCl)c2)N1 ZINC000587686854 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)CCl)c2)N1 ZINC000587686856 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)CCl)c2)N1 ZINC000587686858 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C)N(C(=O)CCl)C(C)(C)C2)N1 ZINC000587686859 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C)N(C(=O)CCl)C(C)(C)C2)N1 ZINC000587686861 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3cc(Br)ccc23)N1 ZINC000587686912 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3cc(Br)ccc23)N1 ZINC000587686913 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3cc(Br)ccc23)N1 ZINC000587686914 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3cc(Br)ccc23)N1 ZINC000587686915 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c3c(c2)OCO3)N1 ZINC000587686932 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c3c(c2)OCO3)N1 ZINC000587686933 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c3c(c2)OCO3)N1 ZINC000587686934 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c3c(c2)OCO3)N1 ZINC000587686935 IJ Annotated Anodyne CCC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687050 IJ Annotated Reactive CCC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687052 IJ Annotated Reactive CCC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687054 IJ Annotated Reactive CCC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687056 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(Br)cccc32)N1 ZINC000587687194 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(Br)cccc32)N1 ZINC000587687195 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(Br)cccc32)N1 ZINC000587687196 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(Br)cccc32)N1 ZINC000587687197 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C[C@@H]2Br ZINC000587687227 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C[C@H]2Br ZINC000587687229 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C[C@H]2Br ZINC000587687231 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C[C@@H]2Br ZINC000587687234 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587687309 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587687314 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587687316 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587687318 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587687320 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587687322 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587687324 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587687326 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)[C@@H](C)Cl)c2)N1 ZINC000587687404 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)[C@@H](C)Cl)c2)N1 ZINC000587687406 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587687407 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587687408 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)ccc(O)c32)N1 ZINC000587687584 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)ccc(O)c32)N1 ZINC000587687586 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)ccc(O)c32)N1 ZINC000587687587 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)ccc(O)c32)N1 ZINC000587687588 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccc(Br)cn23)N1 ZINC000587687694 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccc(Br)cn23)N1 ZINC000587687696 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccc(Br)cn23)N1 ZINC000587687698 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccc(Br)cn23)N1 ZINC000587687700 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(Br)ncc23)N1 ZINC000587687713 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(Br)ncc23)N1 ZINC000587687714 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(Br)ncc23)N1 ZINC000587687715 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(Br)ncc23)N1 ZINC000587687716 IJ Annotated Anodyne CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687788 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687789 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687790 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587687791 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(CC(=O)O)cc2)([C@@H](C)Cl)N1 ZINC000587687800 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(CC(=O)O)cc2)([C@@H](C)Cl)N1 ZINC000587687801 IJ Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687802 IJ Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687803 IJ Annotated Reactive COc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587687982 IJ Annotated Reactive COc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587687984 IJ Annotated Reactive COc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587687987 IJ Annotated Reactive COc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587687989 IJ Annotated Reactive CC(=O)Oc1ccc(C[C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688249 IJ Annotated Reactive CC(=O)Oc1ccc(C[C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688250 IJ Annotated Reactive CC(=O)Oc1ccc(C[C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688251 IJ Annotated Reactive CC(=O)Oc1ccc(C[C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688252 IJ Annotated Reactive COCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688289 IJ Annotated Reactive COCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688290 IJ Annotated Reactive COCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688291 IJ Annotated Reactive COCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587688292 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587688412 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587688413 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587688414 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587688415 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3cc(Br)ccc23)N1 ZINC000587688476 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3cc(Br)ccc23)N1 ZINC000587688478 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3cc(Br)ccc23)N1 ZINC000587688480 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3cc(Br)ccc23)N1 ZINC000587688481 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587688553 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587688555 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587688557 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H]2CCN2C(=O)OC(C)(C)C)N1 ZINC000587688559 IJ Annotated Reactive COCCn1c(C)cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688624 IJ Annotated Reactive COCCn1c(C)cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688627 IJ Annotated Reactive COCCn1c(C)cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688629 IJ Annotated Reactive COCCn1c(C)cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587688631 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)[C@@H](C)Cl)cc2)N1 ZINC000587689106 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)[C@@H](C)Cl)cc2)N1 ZINC000587689107 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689108 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689109 IJ Annotated Reactive COc1ccc(OC)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587689146 IJ Annotated Reactive COc1ccc(OC)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587689147 IJ Annotated Reactive COc1ccc(OC)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587689148 IJ Annotated Reactive COc1ccc(OC)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587689149 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(CC(=O)O)cc2)([C@@H](C)Cl)N1 ZINC000587689221 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(CC(=O)O)cc2)([C@@H](C)Cl)N1 ZINC000587689222 IJ Annotated Reactive C[C@H](Cl)[C@@]1(c2ccc(CC(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689223 IJ Annotated Reactive C[C@H](Cl)[C@]1(c2ccc(CC(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689224 IJ Annotated Reactive COc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587689450 IJ Annotated Reactive COc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587689451 IJ Annotated Reactive COc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587689452 IJ Annotated Reactive COc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587689453 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 ZINC000587689462 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 ZINC000587689463 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689464 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689465 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 ZINC000587689595 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 ZINC000587689596 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 ZINC000587689598 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C(C#N)=C2Nc3ccccc3N2)N1 ZINC000587689600 IJ Annotated Reactive COc1ccc(OC)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587689782 IJ Annotated Reactive COc1ccc(OC)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587689783 IJ Annotated Reactive COc1ccc(OC)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587689784 IJ Annotated Reactive COc1ccc(OC)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587689785 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 ZINC000587689842 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 ZINC000587689843 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689844 IJ Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689845 IJ Annotated Reactive CC(=O)Oc1ccc(C[C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587690138 IJ Annotated Reactive CC(=O)Oc1ccc(C[C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587690139 IJ Annotated Reactive CC(=O)Oc1ccc(C[C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587690140 IJ Annotated Reactive CC(=O)Oc1ccc(C[C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587690141 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587690142 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587690143 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587690144 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587690145 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587690150 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587690151 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587690152 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587690153 IJ Annotated Reactive C#CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691013 IJ Annotated Mild C#CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691014 IJ Annotated Mild C#CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691015 IJ Annotated Mild C#CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691016 IJ Annotated Mild C#CCOc1c(Cl)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691017 IJ Annotated Mild C#CCOc1c(Cl)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691018 IJ Annotated Mild C#CCOc1c(Cl)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691019 IJ Annotated Mild C#CCOc1c(Cl)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587691020 IJ Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(C)=O ZINC000587691597 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(C)=O ZINC000587691598 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(C)=O ZINC000587691599 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OC(C)=O ZINC000587691600 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587691649 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587691650 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587691651 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587691652 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/N(C)C)(c2ccccc2Cl)N1 ZINC000587691853 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C\N(C)C)(c2ccccc2Cl)N1 ZINC000587691855 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C\N(C)C)(c2ccccc2Cl)N1 ZINC000587691857 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/N(C)C)(c2ccccc2Cl)N1 ZINC000587691858 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587692036 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587692038 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587692040 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587692042 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)N1 ZINC000587692214 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)N1 ZINC000587692215 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)N1 ZINC000587692216 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)N1 ZINC000587692217 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cncn3)cc2Cl)N1 ZINC000587692349 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cncn3)cc2Cl)N1 ZINC000587692359 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cncn3)cc2Cl)N1 ZINC000587692361 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cncn3)cc2Cl)N1 ZINC000587692364 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 ZINC000587692637 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 ZINC000587692638 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 ZINC000587692639 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 ZINC000587692640 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NCc2ccc(Cl)cc2)N1 ZINC000587693009 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NCc2ccc(Cl)cc2)N1 ZINC000587693011 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NCc2ccc(Cl)cc2)N1 ZINC000587693012 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NCc2ccc(Cl)cc2)N1 ZINC000587693014 IJ Annotated Anodyne COC(=O)c1cc(Cl)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693139 IJ Annotated Anodyne COC(=O)c1cc(Cl)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693140 IJ Annotated Anodyne COC(=O)c1cc(Cl)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693141 IJ Annotated Anodyne COC(=O)c1cc(Cl)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693142 IJ Annotated Anodyne Cc1c(Cl)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1[N+](=O)[O-] ZINC000587693225 IJ Annotated Clean Cc1c(Cl)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1[N+](=O)[O-] ZINC000587693227 IJ Annotated Clean Cc1c(Cl)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1[N+](=O)[O-] ZINC000587693230 IJ Annotated Clean Cc1c(Cl)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1[N+](=O)[O-] ZINC000587693232 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc[nH]2)(c2cc(Cl)ccc2N)N1 ZINC000587693610 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc[nH]2)(c2cc(Cl)ccc2N)N1 ZINC000587693611 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc[nH]2)(c2cc(Cl)ccc2N)N1 ZINC000587693612 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc[nH]2)(c2cc(Cl)ccc2N)N1 ZINC000587693613 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587693744 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587693746 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587693748 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587693749 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587693751 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587693752 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587693754 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2ccc(Cl)cc2[N+](=O)[O-])N1 ZINC000587693755 IJ Annotated Mild COC(=O)C[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693914 IJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693916 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693919 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693921 IJ Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1ccc(Cl)cc1 ZINC000587694017 IJ Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1ccc(Cl)cc1 ZINC000587694019 IJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1ccc(Cl)cc1 ZINC000587694021 IJ Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1ccc(Cl)cc1 ZINC000587694023 IJ Annotated Anodyne C[C@H](Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl)C(=O)O ZINC000587694456 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O[C@H](C)C(=O)O)c(Cl)c2)N1 ZINC000587694461 IJ Annotated Anodyne C[C@H](Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl)C(=O)O ZINC000587694464 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O[C@H](C)C(=O)O)c(Cl)c2)N1 ZINC000587694466 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2N2CCOCC2)N1 ZINC000587694733 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cccc2N2CCOCC2)N1 ZINC000587694734 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2N2CCOCC2)N1 ZINC000587694735 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cccc2N2CCOCC2)N1 ZINC000587694736 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 ZINC000587694793 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 ZINC000587694794 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 ZINC000587694795 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 ZINC000587694797 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C(=O)O)(c3cccc(Cl)c3)C2)N1 ZINC000587694806 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C(=O)O)(c3cccc(Cl)c3)C2)N1 ZINC000587694809 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccn(C)n2)N1 ZINC000587694815 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccn(C)n2)N1 ZINC000587694817 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccn(C)n2)N1 ZINC000587694819 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccn(C)n2)N1 ZINC000587694820 IJ Annotated Anodyne CC(=O)C[C@]1(c2cc(Cl)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694919 IJ Annotated Clean CC(=O)C[C@@]1(c2cc(Cl)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694938 IJ Annotated Clean CC(=O)C[C@]1(c2cc(Cl)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694941 IJ Annotated Clean CC(=O)C[C@@]1(c2cc(Cl)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694945 IJ Annotated Clean Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1ccc(Cl)cc1 ZINC000587695163 IJ Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1ccc(Cl)cc1 ZINC000587695166 IJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1ccc(Cl)cc1 ZINC000587695167 IJ Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1ccc(Cl)cc1 ZINC000587695169 IJ Annotated Anodyne COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695459 IJ Annotated Bother COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695461 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cncn3)cc2Cl)N1 ZINC000587695462 IJ Annotated Anodyne COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695463 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cncn3)cc2Cl)N1 ZINC000587695464 IJ Annotated Anodyne COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695465 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cncn3)cc2Cl)N1 ZINC000587695466 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cncn3)cc2Cl)N1 ZINC000587695468 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695554 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695557 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695558 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695560 IJ Annotated Anodyne C[C@H](Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl)C(=O)O ZINC000587695585 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O[C@H](C)C(=O)O)c(Cl)c2)N1 ZINC000587695586 IJ Annotated Anodyne C[C@H](Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl)C(=O)O ZINC000587695588 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O[C@H](C)C(=O)O)c(Cl)c2)N1 ZINC000587695590 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ncccn2)N1 ZINC000587695594 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ncccn2)N1 ZINC000587695596 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ncccn2)N1 ZINC000587695598 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ncccn2)N1 ZINC000587695600 IJ Annotated Anodyne Cc1c(Cl)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1[N+](=O)[O-] ZINC000587695799 IJ Annotated Clean Cc1c(Cl)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1[N+](=O)[O-] ZINC000587695800 IJ Annotated Clean Cc1c(Cl)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1[N+](=O)[O-] ZINC000587695801 IJ Annotated Clean Cc1c(Cl)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1[N+](=O)[O-] ZINC000587695802 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc[nH]2)(c2cc(Cl)ccc2N)N1 ZINC000587695969 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc[nH]2)(c2cc(Cl)ccc2N)N1 ZINC000587695971 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc[nH]2)(c2cc(Cl)ccc2N)N1 ZINC000587695973 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc[nH]2)(c2cc(Cl)ccc2N)N1 ZINC000587695975 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 ZINC000587696026 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 ZINC000587696027 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 ZINC000587696028 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 ZINC000587696029 IJ Annotated Clean COC(=O)[C@]1(/C=C/c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696185 IJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696186 IJ Annotated Anodyne COC(=O)[C@]1(/C=C/c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696187 IJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696188 IJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696221 IJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696222 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696223 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696224 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696225 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696228 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696230 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696232 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 ZINC000587696563 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 ZINC000587696565 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 ZINC000587696567 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)c(Cl)c2)N1 ZINC000587696569 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/N(C)C)(c2ccccc2Cl)N1 ZINC000587696679 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C\N(C)C)(c2ccccc2Cl)N1 ZINC000587696681 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C\N(C)C)(c2ccccc2Cl)N1 ZINC000587696683 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/N(C)C)(c2ccccc2Cl)N1 ZINC000587696685 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2nccn2C)N1 ZINC000587696717 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2nccn2C)N1 ZINC000587696718 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2nccn2C)N1 ZINC000587696719 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2nccn2C)N1 ZINC000587696720 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cncnc2)N1 ZINC000587696813 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cncnc2)N1 ZINC000587696814 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cncnc2)N1 ZINC000587696815 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cncnc2)N1 ZINC000587696816 IJ Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696821 IJ Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696822 IJ Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696823 IJ Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696824 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(C)=O ZINC000587696896 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(C)=O ZINC000587696898 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(C)=O ZINC000587696899 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OC(C)=O ZINC000587696901 IJ Annotated Anodyne Cc1cc2c(cc1Cl)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 ZINC000587697121 IJ Annotated Reactive Cc1cc2c(cc1Cl)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 ZINC000587697122 IJ Annotated Reactive Cc1cc2c(cc1Cl)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 ZINC000587697123 IJ Annotated Reactive Cc1cc2c(cc1Cl)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 ZINC000587697124 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2cc(Cl)ccc2O)N1 ZINC000587697230 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2cc(Cl)ccc2O)N1 ZINC000587697232 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2cc(Cl)ccc2O)N1 ZINC000587697234 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2cc(Cl)ccc2O)N1 ZINC000587697236 IJ Annotated Anodyne COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697237 IJ Annotated Bother COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697239 IJ Annotated Bother COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697242 IJ Annotated Bother COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697244 IJ Annotated Bother CCOC(=O)C[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697554 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697557 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697560 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697563 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2N2CCOCC2)N1 ZINC000587697623 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cccc2N2CCOCC2)N1 ZINC000587697625 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2N2CCOCC2)N1 ZINC000587697626 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cccc2N2CCOCC2)N1 ZINC000587697627 IJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697703 IJ Annotated Anodyne COC(=O)C[C@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697705 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697707 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697709 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587697734 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587697739 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587697742 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587697744 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCc2ccccc2Cl)N1 ZINC000587697842 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCc2ccccc2Cl)N1 ZINC000587697845 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCc2ccccc2Cl)N1 ZINC000587697848 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCc2ccccc2Cl)N1 ZINC000587697851 IJ Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1cccc(Cl)c1 ZINC000587698067 IJ Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1cccc(Cl)c1 ZINC000587698070 IJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1cccc(Cl)c1 ZINC000587698072 IJ Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1-c1cccc(Cl)c1 ZINC000587698075 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ncccn2)N1 ZINC000587698105 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ncccn2)N1 ZINC000587698107 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ncccn2)N1 ZINC000587698110 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ncccn2)N1 ZINC000587698112 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 ZINC000587698342 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 ZINC000587698344 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 ZINC000587698347 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Cl)cc([N+](=O)[O-])c2O)N1 ZINC000587698349 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587698438 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587698440 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587698443 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)cc2Cl)N1 ZINC000587698446 IJ Annotated Clean COC(=O)CC[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698782 IJ Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698784 IJ Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698786 IJ Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587698788 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587699078 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587699081 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587699084 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587699087 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587699108 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587699110 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587699112 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Cl)cc3)nn2)N1 ZINC000587699114 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699319 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699322 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699323 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699326 IJ Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699327 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699329 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699330 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)N1 ZINC000587699331 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699333 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)N1 ZINC000587699335 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699336 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)N1 ZINC000587699339 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699340 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)c(Cl)c2)(C(=O)O)N1 ZINC000587699342 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699344 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699348 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699368 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699372 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699375 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699379 IJ Annotated Anodyne CC(=O)C[C@@]1(c2cc(Cl)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699483 IJ Annotated Clean CC(=O)C[C@]1(c2cc(Cl)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699488 IJ Annotated Clean CC(=O)C[C@@]1(c2cc(Cl)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699492 IJ Annotated Clean CC(=O)C[C@]1(c2cc(Cl)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699496 IJ Annotated Clean Cc1cc2c(cc1Cl)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 ZINC000587699497 IJ Annotated Reactive Cc1cc2c(cc1Cl)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 ZINC000587699503 IJ Annotated Reactive Cc1cc2c(cc1Cl)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 ZINC000587699508 IJ Annotated Reactive Cc1cc2c(cc1Cl)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 ZINC000587699514 IJ Annotated Reactive COC(=O)[C@]1(/C=C/c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699562 IJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699565 IJ Annotated Anodyne COC(=O)[C@@]1(/C=C/c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699570 IJ Annotated Anodyne COC(=O)[C@]1(/C=C/c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587699574 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700122 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700125 IJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700126 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700127 IJ Annotated Anodyne COC(=O)C[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700129 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700130 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700131 IJ Annotated Anodyne COC(=O)C[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587700134 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/N(C)C)(c2ccc(Cl)cc2)N1 ZINC000587700151 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/N(C)C)(c2ccc(Cl)cc2)N1 ZINC000587700153 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C\N(C)C)(c2ccc(Cl)cc2)N1 ZINC000587700155 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C\N(C)C)(c2ccc(Cl)cc2)N1 ZINC000587700156 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(O)cc2)N1 ZINC000587700296 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(O)cc2)N1 ZINC000587700300 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(O)cc2)N1 ZINC000587700302 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(O)cc2)N1 ZINC000587700303 IJ Annotated Anodyne CCOC(=C[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587700346 IJ Annotated Anodyne CCOC(=C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587700349 IJ Annotated Anodyne CCOC(=C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587700350 IJ Annotated Anodyne CCOC(=C[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587700353 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587700386 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587700390 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587700393 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587700396 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cncnc2)N1 ZINC000587700753 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cncnc2)N1 ZINC000587700755 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cncnc2)N1 ZINC000587700757 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cncnc2)N1 ZINC000587700759 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/N(C)C)(c2ccc(Cl)cc2)N1 ZINC000587700777 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/N(C)C)(c2ccc(Cl)cc2)N1 ZINC000587700779 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C\N(C)C)(c2ccc(Cl)cc2)N1 ZINC000587700781 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C\N(C)C)(c2ccc(Cl)cc2)N1 ZINC000587700783 IJ Annotated Reactive Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1cccc(Cl)c1 ZINC000587700829 IJ Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1cccc(Cl)c1 ZINC000587700831 IJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1cccc(Cl)c1 ZINC000587700833 IJ Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1-c1cccc(Cl)c1 ZINC000587700835 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccnc2)(C(F)(F)F)N1 ZINC000587701040 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccnc2)(C(F)(F)F)N1 ZINC000587701049 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccnc2)(C(F)(F)F)N1 ZINC000587701051 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccnc2)(C(F)(F)F)N1 ZINC000587701053 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccncc2)(C(F)(F)F)N1 ZINC000587701158 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccncc2)(C(F)(F)F)N1 ZINC000587701163 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccncc2)(C(F)(F)F)N1 ZINC000587701170 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccncc2)(C(F)(F)F)N1 ZINC000587701175 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2nccn2C)N1 ZINC000587701279 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2nccn2C)N1 ZINC000587701282 IJ Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587701283 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2nccn2C)N1 ZINC000587701286 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2nccn2C)N1 ZINC000587701288 IJ Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587701290 IJ Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587701293 IJ Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587701297 IJ Annotated Anodyne COC(=O)c1cc(Cl)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701335 IJ Annotated Anodyne COC(=O)c1cc(Cl)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701337 IJ Annotated Anodyne COC(=O)c1cc(Cl)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701339 IJ Annotated Anodyne COC(=O)c1cc(Cl)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701342 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(Cl)c(Cl)cc12 ZINC000587701587 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(Cl)c(Cl)cc12 ZINC000587701589 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(Cl)c(Cl)cc12 ZINC000587701592 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(Cl)c(Cl)cc12 ZINC000587701594 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccncc2)(C(F)(F)F)N1 ZINC000587702091 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccncc2)(C(F)(F)F)N1 ZINC000587702092 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccncc2)(C(F)(F)F)N1 ZINC000587702093 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccncc2)(C(F)(F)F)N1 ZINC000587702094 IJ Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587702104 IJ Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587702105 IJ Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587702106 IJ Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587702107 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCc2ccc(Cl)cc2)N1 ZINC000587702153 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCc2ccc(Cl)cc2)N1 ZINC000587702154 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCc2ccc(Cl)cc2)N1 ZINC000587702155 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCc2ccc(Cl)cc2)N1 ZINC000587702156 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C(=O)O)(c3cccc(Cl)c3)C2)N1 ZINC000587702325 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C(=O)O)(c3cccc(Cl)c3)C2)N1 ZINC000587702326 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2=COCC2)(C(F)(F)Br)N1 ZINC000587702639 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2=COCC2)(C(F)(F)Br)N1 ZINC000587702640 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2=COCC2)(C(F)(F)Br)N1 ZINC000587702643 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2=COCC2)(C(F)(F)Br)N1 ZINC000587702645 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccn(C)n2)N1 ZINC000587702977 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccn(C)n2)N1 ZINC000587702978 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccn(C)n2)N1 ZINC000587702979 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccn(C)n2)N1 ZINC000587702980 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587703009 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587703010 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587703011 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587703012 IJ Annotated Anodyne CCn1nc(C)c([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587703235 IJ Annotated Anodyne CCn1nc(C)c([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587703258 IJ Annotated Anodyne CCn1nc(C)c([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587703260 IJ Annotated Anodyne CCn1nc(C)c([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587703264 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccnc2)(C(F)(F)F)N1 ZINC000587703393 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccnc2)(C(F)(F)F)N1 ZINC000587703396 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccnc2)(C(F)(F)F)N1 ZINC000587703398 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccnc2)(C(F)(F)F)N1 ZINC000587703400 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(Cl)c(Cl)cc12 ZINC000587703443 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(Cl)c(Cl)cc12 ZINC000587703444 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(Cl)c(Cl)cc12 ZINC000587703445 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(Cl)c(Cl)cc12 ZINC000587703446 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703607 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703608 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703609 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703610 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)c3ccccc3n(C)c2=O)N1 ZINC000587703802 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)c3ccccc3n(C)c2=O)N1 ZINC000587703803 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)c3ccccc3n(C)c2=O)N1 ZINC000587703805 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)c3ccccc3n(C)c2=O)N1 ZINC000587703807 IJ Annotated Anodyne COc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587703827 IJ Annotated Anodyne COc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587703829 IJ Annotated Anodyne COc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587703831 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)c3ccccc3n(C)c2=O)N1 ZINC000587703832 IJ Annotated Anodyne COc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587703833 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)c3ccccc3n(C)c2=O)N1 ZINC000587703834 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)c3ccccc3n(C)c2=O)N1 ZINC000587703836 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)c3ccccc3n(C)c2=O)N1 ZINC000587703837 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(c3ncc4c(Cl)nccn34)C2)N1 ZINC000587704177 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(c3ncc4c(Cl)nccn34)C2)N1 ZINC000587704178 IJ Annotated Anodyne COC(OC)c1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccnc1Cl ZINC000587704207 IJ Annotated Anodyne COC(OC)c1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccnc1Cl ZINC000587704208 IJ Annotated Anodyne COC(OC)c1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccnc1Cl ZINC000587704209 IJ Annotated Anodyne COC(OC)c1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccnc1Cl ZINC000587704210 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(O)cc2)N1 ZINC000587704271 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(O)cc2)N1 ZINC000587704273 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(O)cc2)N1 ZINC000587704275 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(O)cc2)N1 ZINC000587704277 IJ Annotated Anodyne CCOC(=O)CCC[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704317 IJ Annotated Anodyne CCOC(=O)CCC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704318 IJ Annotated Anodyne CCOC(=O)CCC[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704319 IJ Annotated Anodyne CCOC(=O)CCC[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704320 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 ZINC000587704382 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 ZINC000587704384 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 ZINC000587704386 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(Cl)ccc2O)N1 ZINC000587704387 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccccc2)(C(F)(F)F)N1 ZINC000587704622 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccccc2)(C(F)(F)F)N1 ZINC000587704623 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccccc2)(C(F)(F)F)N1 ZINC000587704624 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccccc2)(C(F)(F)F)N1 ZINC000587704625 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2cc(Cl)ccc2O)N1 ZINC000587704765 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2cc(Cl)ccc2O)N1 ZINC000587704766 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2cc(Cl)ccc2O)N1 ZINC000587704767 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2cc(Cl)ccc2O)N1 ZINC000587704768 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2=COCC2)(C(F)(F)Br)N1 ZINC000587704914 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2=COCC2)(C(F)(F)Br)N1 ZINC000587704915 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2=COCC2)(C(F)(F)Br)N1 ZINC000587704916 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2=COCC2)(C(F)(F)Br)N1 ZINC000587704917 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2ccccc2)(C(F)(F)F)N1 ZINC000587705051 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2ccccc2)(C(F)(F)F)N1 ZINC000587705052 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2ccccc2)(C(F)(F)F)N1 ZINC000587705053 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2ccccc2)(C(F)(F)F)N1 ZINC000587705054 IJ Annotated Anodyne CCOC(=C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587705075 IJ Annotated Anodyne CCOC(=C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587705076 IJ Annotated Anodyne CCOC(=C[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587705077 IJ Annotated Anodyne CCOC(=C[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587705078 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705153 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705154 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705155 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705156 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(c3ncc4c(Cl)nccn34)C2)N1 ZINC000587705287 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(c3ncc4c(Cl)nccn34)C2)N1 ZINC000587705288 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnc3ccccn23)(C(F)(F)Cl)N1 ZINC000587705325 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cnc3ccccn23)(C(F)(F)Cl)N1 ZINC000587705327 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnc3ccccn23)(C(F)(F)Cl)N1 ZINC000587705328 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cnc3ccccn23)(C(F)(F)Cl)N1 ZINC000587705329 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cnccn2)N1 ZINC000587705544 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cnccn2)N1 ZINC000587705545 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cnccn2)N1 ZINC000587705546 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cnccn2)N1 ZINC000587705547 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cnccn2)N1 ZINC000587705576 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cnccn2)N1 ZINC000587705577 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cnccn2)N1 ZINC000587705578 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cnccn2)N1 ZINC000587705579 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587705580 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587705581 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587705582 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(Cl)cc2)N1 ZINC000587705583 IJ Annotated Anodyne CC(=O)OC[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705584 IJ Annotated Anodyne CC(=O)OC[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705585 IJ Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705586 IJ Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705587 IJ Annotated Anodyne COc1cccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1N ZINC000587705761 IJ Annotated Anodyne COc1cccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1N ZINC000587705762 IJ Annotated Anodyne COc1cccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1N ZINC000587705763 IJ Annotated Anodyne COc1cccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1N ZINC000587705764 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccs2)N1 ZINC000587705789 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccs2)N1 ZINC000587705790 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccs2)N1 ZINC000587705791 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccs2)N1 ZINC000587705792 IJ Annotated Anodyne CC(=O)OC[C@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705827 IJ Annotated Anodyne CC(=O)OC[C@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705829 IJ Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(Cl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705831 IJ Annotated Anodyne CC(=O)OC[C@@]1(c2ccc(Cl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705833 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccs2)N1 ZINC000587705857 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccs2)N1 ZINC000587705859 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccs2)N1 ZINC000587705862 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccs2)N1 ZINC000587705864 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccccc2)N1 ZINC000587705890 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccccc2)N1 ZINC000587705893 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccccc2)N1 ZINC000587705895 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccccc2)N1 ZINC000587705897 IJ Annotated Anodyne CCOC(=O)CCC[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706207 IJ Annotated Anodyne CCOC(=O)CCC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706208 IJ Annotated Anodyne CCOC(=O)CCC[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706210 IJ Annotated Anodyne CCOC(=O)CCC[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706211 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cnc3ccccn23)(C(F)(F)Cl)N1 ZINC000587706270 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnc3ccccn23)(C(F)(F)Cl)N1 ZINC000587706271 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cnc3ccccn23)(C(F)(F)Cl)N1 ZINC000587706272 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnc3ccccn23)(C(F)(F)Cl)N1 ZINC000587706273 IJ Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587706406 IJ Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587706422 IJ Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587706427 IJ Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587706430 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(O)cc2)(C(F)(F)F)N1 ZINC000587706765 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(O)cc2)(C(F)(F)F)N1 ZINC000587706768 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(O)cc2)(C(F)(F)F)N1 ZINC000587706769 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(O)cc2)(C(F)(F)F)N1 ZINC000587706770 IJ Annotated Anodyne COc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587706791 IJ Annotated Anodyne COc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587706792 IJ Annotated Anodyne COc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587706793 IJ Annotated Anodyne COc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587706794 IJ Annotated Anodyne COc1cccc(N)c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706805 IJ Annotated Anodyne COc1cccc(N)c1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706806 IJ Annotated Anodyne COc1cccc(N)c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706807 IJ Annotated Anodyne COc1cccc(N)c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587706809 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncnc2N2CCCCC2)N1 ZINC000587706924 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncnc2N2CCCCC2)N1 ZINC000587706925 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncnc2N2CCCCC2)N1 ZINC000587706926 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncnc2N2CCCCC2)N1 ZINC000587706927 IJ Annotated Anodyne CCn1nc(C)c([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587707012 IJ Annotated Anodyne CCn1nc(C)c([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587707013 IJ Annotated Anodyne CCn1nc(C)c([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587707014 IJ Annotated Anodyne CCn1nc(C)c([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587707015 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(O)cc2)(C(F)(F)F)N1 ZINC000587707016 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(O)cc2)(C(F)(F)F)N1 ZINC000587707017 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(O)cc2)(C(F)(F)F)N1 ZINC000587707018 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(O)cc2)(C(F)(F)F)N1 ZINC000587707019 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccn2)(C(F)(F)F)N1 ZINC000587707316 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccn2)(C(F)(F)F)N1 ZINC000587707317 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccn2)(C(F)(F)F)N1 ZINC000587707318 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccn2)(C(F)(F)F)N1 ZINC000587707319 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 ZINC000587707528 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 ZINC000587707529 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 ZINC000587707530 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 ZINC000587707531 IJ Annotated Bother COc1cccc(N)c1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707552 IJ Annotated Anodyne COc1cccc(N)c1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707553 IJ Annotated Anodyne COc1cccc(N)c1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707554 IJ Annotated Anodyne COc1cccc(N)c1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707555 IJ Annotated Anodyne COC(OC)c1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccnc1Cl ZINC000587707669 IJ Annotated Anodyne COC(OC)c1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccnc1Cl ZINC000587707670 IJ Annotated Anodyne COC(OC)c1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccnc1Cl ZINC000587707671 IJ Annotated Anodyne COC(OC)c1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccnc1Cl ZINC000587707672 IJ Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587707718 IJ Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587707719 IJ Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587707720 IJ Annotated Anodyne CCOC(=O)C(F)(F)[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587707721 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 ZINC000587707750 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 ZINC000587707751 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 ZINC000587707753 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2[N+](=O)[O-])(C(F)(F)F)N1 ZINC000587707754 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccccc2)N1 ZINC000587707832 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccccc2)N1 ZINC000587707833 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccccc2)N1 ZINC000587707834 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccccc2)N1 ZINC000587707835 IJ Annotated Anodyne COc1cccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1N ZINC000587707879 IJ Annotated Anodyne COc1cccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1N ZINC000587707880 IJ Annotated Anodyne COc1cccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1N ZINC000587707881 IJ Annotated Anodyne COc1cccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1N ZINC000587707882 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccn2)(C(F)(F)F)N1 ZINC000587708137 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccn2)(C(F)(F)F)N1 ZINC000587708139 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccn2)(C(F)(F)F)N1 ZINC000587708141 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccn2)(C(F)(F)F)N1 ZINC000587708142 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587708144 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587708146 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587708148 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(C(F)(F)F)N1 ZINC000587708149 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(F)(F)F)nc2C2CC2)N1 ZINC000587708269 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(F)(F)F)nc2C2CC2)N1 ZINC000587708270 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(F)(F)F)nc2C2CC2)N1 ZINC000587708271 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(F)(F)F)nc2C2CC2)N1 ZINC000587708272 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 ZINC000587708290 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 ZINC000587708291 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 ZINC000587708292 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 ZINC000587708293 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 ZINC000587708314 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 ZINC000587708315 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 ZINC000587708316 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 ZINC000587708317 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ncnc2N2CCCCC2)N1 ZINC000587708555 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ncnc2N2CCCCC2)N1 ZINC000587708556 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ncnc2N2CCCCC2)N1 ZINC000587708557 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ncnc2N2CCCCC2)N1 ZINC000587708558 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(O)(C(F)(F)F)C(F)(F)F)N1 ZINC000587708614 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(O)(C(F)(F)F)C(F)(F)F)N1 ZINC000587708615 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(O)(C(F)(F)F)C(F)(F)F)N1 ZINC000587708616 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(O)(C(F)(F)F)C(F)(F)F)N1 ZINC000587708617 IJ Annotated Mild COc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587708654 IJ Annotated Anodyne COc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587708655 IJ Annotated Anodyne COc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587708656 IJ Annotated Anodyne COc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587708657 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(F)(F)F)nc2C2CC2)N1 ZINC000587708790 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(F)(F)F)nc2C2CC2)N1 ZINC000587708791 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(F)(F)F)nc2C2CC2)N1 ZINC000587708792 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(F)(F)F)nc2C2CC2)N1 ZINC000587708793 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)O)cc2)(C(F)(F)F)N1 ZINC000587709150 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(=O)O)cc2)(C(F)(F)F)N1 ZINC000587709151 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)O)cc2)(C(F)(F)F)N1 ZINC000587709152 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(=O)O)cc2)(C(F)(F)F)N1 ZINC000587709153 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587709236 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587709237 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587709238 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587709239 IJ Annotated Anodyne Cc1nc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587709268 IJ Annotated Anodyne Cc1nc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587709269 IJ Annotated Anodyne Cc1nc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587709270 IJ Annotated Anodyne Cc1nc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 ZINC000587709271 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587709356 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587709357 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587709358 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587709359 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCO3)(C(F)(F)F)N1 ZINC000587709360 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCO3)(C(F)(F)F)N1 ZINC000587709361 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCO3)(C(F)(F)F)N1 ZINC000587709362 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCO3)(C(F)(F)F)N1 ZINC000587709363 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709372 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709373 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709374 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709375 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587709384 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587709385 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587709386 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587709387 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 ZINC000587709402 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 ZINC000587709403 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 ZINC000587709404 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc([N+](=O)[O-])c2)(C(F)(F)F)N1 ZINC000587709405 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)O)cc2)(C(F)(F)F)N1 ZINC000587709434 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(=O)O)cc2)(C(F)(F)F)N1 ZINC000587709435 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)O)cc2)(C(F)(F)F)N1 ZINC000587709436 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(=O)O)cc2)(C(F)(F)F)N1 ZINC000587709437 IJ Annotated Anodyne CC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709674 IJ Annotated Anodyne CC(=O)[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709678 IJ Annotated Anodyne CC(=O)[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709679 IJ Annotated Anodyne CC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709680 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 ZINC000587709765 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 ZINC000587709768 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 ZINC000587709770 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N(C)C)cc2)(C(F)(F)F)N1 ZINC000587709771 IJ Annotated Clean CCCn1nc(C)cc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709896 IJ Annotated Anodyne CCCn1nc(C)cc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709900 IJ Annotated Anodyne CCCn1nc(C)cc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709902 IJ Annotated Anodyne CCCn1nc(C)cc1[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709903 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)C(F)(F)F)cc2)N1 ZINC000587709936 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)C(F)(F)F)cc2)N1 ZINC000587709937 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)C(F)(F)F)cc2)N1 ZINC000587709938 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)C(F)(F)F)cc2)N1 ZINC000587709939 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)C(F)(F)F)cc2)N1 ZINC000587710025 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)C(F)(F)F)cc2)N1 ZINC000587710027 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)C(F)(F)F)cc2)N1 ZINC000587710029 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)C(F)(F)F)cc2)N1 ZINC000587710031 IJ Annotated Anodyne CCCn1nc(C)cc1[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710075 IJ Annotated Anodyne CCCn1nc(C)cc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710078 IJ Annotated Anodyne CCCn1nc(C)cc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710081 IJ Annotated Anodyne CCCn1nc(C)cc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710084 IJ Annotated Anodyne Cc1nc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587710086 IJ Annotated Anodyne Cc1nc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587710088 IJ Annotated Anodyne Cc1nc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587710091 IJ Annotated Anodyne Cc1nc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 ZINC000587710093 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCO3)(C(F)(F)F)N1 ZINC000587710383 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCO3)(C(F)(F)F)N1 ZINC000587710385 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCO3)(C(F)(F)F)N1 ZINC000587710387 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCO3)(C(F)(F)F)N1 ZINC000587710389 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@](C)(O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587710580 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@](C)(O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587710581 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@](C)(O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587710582 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@](C)(O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587710583 IJ Annotated Mild CC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710662 IJ Annotated Anodyne CC(=O)[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710663 IJ Annotated Anodyne CC(=O)[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710664 IJ Annotated Anodyne CC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710665 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@](C)(O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587710844 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@](C)(O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587710845 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@](C)(O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587710846 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@](C)(O)C(F)(F)F)(C(F)(F)F)N1 ZINC000587710847 IJ Annotated Mild COc1ccc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587710916 IJ Annotated Anodyne COc1ccc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587710917 IJ Annotated Anodyne COc1ccc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587710918 IJ Annotated Anodyne COc1ccc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587710919 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587711185 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587711186 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587711187 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587711188 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587711716 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587711717 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587711718 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)C(F)(F)F)c2)N1 ZINC000587711719 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(O)(C(F)(F)F)C(F)(F)F)N1 ZINC000587712097 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(O)(C(F)(F)F)C(F)(F)F)N1 ZINC000587712099 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(O)(C(F)(F)F)C(F)(F)F)N1 ZINC000587712101 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(O)(C(F)(F)F)C(F)(F)F)N1 ZINC000587712103 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccccc2OC(F)F)N1 ZINC000587712400 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccccc2OC(F)F)N1 ZINC000587712401 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccccc2OC(F)F)N1 ZINC000587712402 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccccc2OC(F)F)N1 ZINC000587712403 IJ Annotated Mild CC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712837 IJ Annotated Anodyne CC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712840 IJ Annotated Anodyne CC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712843 IJ Annotated Anodyne CC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712845 IJ Annotated Anodyne CC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712933 IJ Annotated Anodyne CC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712934 IJ Annotated Anodyne CC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712936 IJ Annotated Anodyne CC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712937 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 ZINC000587713240 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 ZINC000587713243 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 ZINC000587713246 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 ZINC000587713249 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(F)c2O)N1 ZINC000587713353 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(F)c2O)N1 ZINC000587713358 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(F)c2O)N1 ZINC000587713360 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(F)c2O)N1 ZINC000587713362 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 ZINC000587713407 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 ZINC000587713409 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 ZINC000587713410 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 ZINC000587713411 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cccc(OC(F)F)c2)N1 ZINC000587713456 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2cccc(OC(F)F)c2)N1 ZINC000587713458 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cccc(OC(F)F)c2)N1 ZINC000587713460 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2cccc(OC(F)F)c2)N1 ZINC000587713462 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(F)cc2O)N1 ZINC000587713967 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(F)cc2O)N1 ZINC000587713968 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(F)cc2O)N1 ZINC000587713969 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(F)cc2O)N1 ZINC000587713970 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2OC(F)F)OCO3)N1 ZINC000587714069 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2OC(F)F)OCO3)N1 ZINC000587714070 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2OC(F)F)OCO3)N1 ZINC000587714071 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2OC(F)F)OCO3)N1 ZINC000587714072 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(F)ccc2F)N1 ZINC000587714437 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(F)ccc2F)N1 ZINC000587714440 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(F)ccc2F)N1 ZINC000587714443 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(F)ccc2F)N1 ZINC000587714445 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(OC(F)(F)F)ccc2O)N1 ZINC000587714743 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(OC(F)(F)F)ccc2O)N1 ZINC000587714744 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(OC(F)(F)F)ccc2O)N1 ZINC000587714747 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(OC(F)(F)F)ccc2O)N1 ZINC000587714748 IJ Annotated Clean COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(F)F ZINC000587714847 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(F)F ZINC000587714851 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(F)F ZINC000587714852 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC(F)F ZINC000587714853 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)cc2O)N1 ZINC000587714920 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)cc2O)N1 ZINC000587714921 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(F)cc2O)N1 ZINC000587714922 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(F)cc2O)N1 ZINC000587714923 IJ Annotated Clean COCCOc1cccc(F)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715299 IJ Annotated Anodyne COCCOc1cccc(F)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715300 IJ Annotated Anodyne COCCOc1cccc(F)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715301 IJ Annotated Anodyne COCCOc1cccc(F)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715302 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(F)c2O)N1 ZINC000587715327 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(F)c2O)N1 ZINC000587715328 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(F)c2O)N1 ZINC000587715330 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(F)c2O)N1 ZINC000587715332 IJ Annotated Clean COc1cccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587715337 IJ Annotated Anodyne COc1cccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587715339 IJ Annotated Anodyne COc1cccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587715340 IJ Annotated Anodyne COc1cccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587715342 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587715363 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587715366 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587715368 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587715371 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)CC2(F)F)N1 ZINC000587715396 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)CC2(F)F)N1 ZINC000587715403 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)CC2(F)F)N1 ZINC000587715406 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)CC2(F)F)N1 ZINC000587715410 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587715574 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587715594 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587715597 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587715599 IJ Annotated Anodyne COCCOc1cccc(F)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715979 IJ Annotated Anodyne COCCOc1cccc(F)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715980 IJ Annotated Anodyne COCCOc1cccc(F)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715981 IJ Annotated Anodyne COCCOc1cccc(F)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587715982 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(F)(F)F)Oc3ccc(N)cc32)N1 ZINC000587716107 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(F)(F)F)Oc3ccc(N)cc32)N1 ZINC000587716110 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(F)(F)F)Oc3ccc(N)cc32)N1 ZINC000587716112 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(F)(F)F)Oc3ccc(N)cc32)N1 ZINC000587716114 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716165 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cc(Br)cc2F)N1 ZINC000587716179 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cc(Br)cc2F)N1 ZINC000587716181 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cc(Br)cc2F)N1 ZINC000587716184 IJ Annotated Clean CCOC(=O)C[C@]1(c2ccc(F)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716185 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cc(Br)cc2F)N1 ZINC000587716186 IJ Annotated Clean CCOC(=O)C[C@]1(c2ccc(F)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716187 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716190 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)F ZINC000587716553 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(F)cc2)(C(F)F)N1 ZINC000587716556 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(F)cc2)(C(F)F)N1 ZINC000587716558 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(F)cc2)(C(F)F)N1 ZINC000587716560 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)F ZINC000587716562 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(F)cc2)(C(F)F)N1 ZINC000587716563 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)F ZINC000587716564 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(F)F ZINC000587716566 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)F ZINC000587716595 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)F ZINC000587716598 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)F ZINC000587716600 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(F)F ZINC000587716601 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716676 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716678 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716681 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587716683 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)cc2O)N1 ZINC000587717012 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)cc2O)N1 ZINC000587717014 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(F)cc2O)N1 ZINC000587717017 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(F)cc2O)N1 ZINC000587717020 IJ Annotated Clean COc1ccccc1C(=O)C[C@@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717287 IJ Annotated Anodyne COc1ccccc1C(=O)C[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717290 IJ Annotated Anodyne COc1ccccc1C(=O)C[C@@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717296 IJ Annotated Anodyne COc1ccccc1C(=O)C[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717300 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(F)c2O)N1 ZINC000587717413 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(F)c2O)N1 ZINC000587717416 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(F)c2O)N1 ZINC000587717420 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(F)c2O)N1 ZINC000587717422 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587717581 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587717586 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587717591 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587717595 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 ZINC000587717606 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 ZINC000587717610 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 ZINC000587717615 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2c([N+](=O)[O-])ccc(F)c2F)N1 ZINC000587717618 IJ Annotated Bother Cc1ccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587717625 IJ Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587717658 IJ Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587717665 IJ Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587717673 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717815 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717818 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717819 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717820 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nc3sccn23)N1 ZINC000587717918 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nc3sccn23)N1 ZINC000587717956 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nc3sccn23)N1 ZINC000587717961 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nc3sccn23)N1 ZINC000587717965 IJ Annotated Anodyne Cc1nn2c(C(F)(F)F)ccnc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718130 IJ Annotated Anodyne Cc1nn2c(C(F)(F)F)ccnc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718145 IJ Annotated Anodyne Cc1nn2c(C(F)(F)F)ccnc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718149 IJ Annotated Anodyne Cc1nn2c(C(F)(F)F)ccnc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718152 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(F)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587718325 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(F)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587718335 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(F)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587718338 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(F)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587718340 IJ Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC(F)F ZINC000587718625 IJ Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCC(F)F ZINC000587718626 IJ Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC(F)F ZINC000587718629 IJ Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCC(F)F ZINC000587718631 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(F)c2O)N1 ZINC000587718831 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(F)c2O)N1 ZINC000587718834 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(F)c2O)N1 ZINC000587718836 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(F)c2O)N1 ZINC000587718839 IJ Annotated Clean COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC(F)F ZINC000587718873 IJ Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCC(F)F ZINC000587718875 IJ Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC(F)F ZINC000587718876 IJ Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCC(F)F ZINC000587718877 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccc(F)cc2)N1 ZINC000587719031 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccc(F)cc2)N1 ZINC000587719035 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccc(F)cc2)N1 ZINC000587719039 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccc(F)cc2)N1 ZINC000587719043 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(F)c2O)N1 ZINC000587719074 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(F)c2O)N1 ZINC000587719077 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(F)c2O)N1 ZINC000587719080 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(F)c2O)N1 ZINC000587719083 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)CC2(F)F)N1 ZINC000587719157 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)CC2(F)F)N1 ZINC000587719163 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)CC2(F)F)N1 ZINC000587719168 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)CC2(F)F)N1 ZINC000587719172 IJ Annotated Anodyne COc1cccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587719212 IJ Annotated Anodyne COc1cccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587719214 IJ Annotated Anodyne COc1cccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587719218 IJ Annotated Anodyne COc1cccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587719222 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(F)ccc2F)N1 ZINC000587719555 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(F)ccc2F)N1 ZINC000587719557 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(F)ccc2F)N1 ZINC000587719559 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(F)ccc2F)N1 ZINC000587719560 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cc(Br)cc2F)N1 ZINC000587719630 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc(F)c(Cl)c3)nn2)N1 ZINC000587719632 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cc(Br)cc2F)N1 ZINC000587719633 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cc(Br)cc2F)N1 ZINC000587719637 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cc(Br)cc2F)N1 ZINC000587719640 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc(F)c(Cl)c3)nn2)N1 ZINC000587719646 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc(F)c(Cl)c3)nn2)N1 ZINC000587719650 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc(F)c(Cl)c3)nn2)N1 ZINC000587719654 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719755 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719759 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(F)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719761 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(F)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719762 IJ Annotated Anodyne COc1cccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587719803 IJ Annotated Anodyne COc1cccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587719806 IJ Annotated Anodyne COc1cccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587719809 IJ Annotated Anodyne COc1cccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587719812 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@]2(F)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587719823 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@]2(F)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587719825 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587719827 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587719829 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cc(Br)cc2F)N1 ZINC000587720171 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cc(Br)cc2F)N1 ZINC000587720174 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cc(Br)cc2F)N1 ZINC000587720177 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cc(Br)cc2F)N1 ZINC000587720180 IJ Annotated Clean COc1ccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587720265 IJ Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587720267 IJ Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587720269 IJ Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587720271 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(F)c2O)N1 ZINC000587720530 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(F)c2O)N1 ZINC000587720531 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(F)c2O)N1 ZINC000587720533 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(F)c2O)N1 ZINC000587720535 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(O)c(Br)c2)N1 ZINC000587720548 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(O)c(Br)c2)N1 ZINC000587720549 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(O)c(Br)c2)N1 ZINC000587720551 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(O)c(Br)c2)N1 ZINC000587720554 IJ Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587720592 IJ Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587720595 IJ Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587720598 IJ Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587720601 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cc(Br)cc2F)N1 ZINC000587720657 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cc(Br)cc2F)N1 ZINC000587720659 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cc(Br)cc2F)N1 ZINC000587720661 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cc(Br)cc2F)N1 ZINC000587720664 IJ Annotated Clean C#C[C@@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720931 IJ Annotated Mild C#C[C@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720932 IJ Annotated Mild C#C[C@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720933 IJ Annotated Mild C#C[C@@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720934 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc(F)c(Cl)c3)nn2)N1 ZINC000587720939 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc(F)c(Cl)c3)nn2)N1 ZINC000587720940 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc(F)c(Cl)c3)nn2)N1 ZINC000587720941 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc(F)c(Cl)c3)nn2)N1 ZINC000587720942 IJ Annotated Anodyne COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587721040 IJ Annotated Anodyne COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587721042 IJ Annotated Anodyne COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587721044 IJ Annotated Anodyne COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587721046 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccccc2OC(F)F)N1 ZINC000587721256 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccccc2OC(F)F)N1 ZINC000587721258 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccccc2OC(F)F)N1 ZINC000587721260 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccccc2OC(F)F)N1 ZINC000587721262 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(O)c(Br)c2)N1 ZINC000587721283 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(O)c(Br)c2)N1 ZINC000587721284 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(O)c(Br)c2)N1 ZINC000587721285 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(O)c(Br)c2)N1 ZINC000587721286 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(F)cc2O)N1 ZINC000587721439 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(F)cc2O)N1 ZINC000587721440 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(F)cc2O)N1 ZINC000587721441 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(F)cc2O)N1 ZINC000587721442 IJ Annotated Clean C#C[C@@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721487 IJ Annotated Mild C#C[C@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721488 IJ Annotated Mild C#C[C@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721489 IJ Annotated Mild C#C[C@@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721490 IJ Annotated Mild COc1ccccc1[C@@]1(CC(=O)C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721808 IJ Annotated Anodyne COc1ccccc1[C@]1(CC(=O)C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721809 IJ Annotated Anodyne COc1ccccc1[C@@]1(CC(=O)C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721810 IJ Annotated Anodyne COc1ccccc1[C@]1(CC(=O)C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587721811 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccc(F)cc2)N1 ZINC000587721844 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccc(F)cc2)N1 ZINC000587721845 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccc(F)cc2)N1 ZINC000587721846 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccc(F)cc2)N1 ZINC000587721847 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(OC(F)(F)F)ccc2O)N1 ZINC000587721860 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(OC(F)(F)F)ccc2O)N1 ZINC000587721861 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(OC(F)(F)F)ccc2O)N1 ZINC000587721862 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(OC(F)(F)F)ccc2O)N1 ZINC000587721863 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(OC(F)F)cc2)N1 ZINC000587722034 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(OC(F)F)cc2)N1 ZINC000587722035 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(OC(F)F)cc2)N1 ZINC000587722036 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(OC(F)F)cc2)N1 ZINC000587722037 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2OC(F)F)OCO3)N1 ZINC000587722058 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2OC(F)F)OCO3)N1 ZINC000587722059 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2OC(F)F)OCO3)N1 ZINC000587722060 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2OC(F)F)OCO3)N1 ZINC000587722061 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 ZINC000587722112 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 ZINC000587722114 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 ZINC000587722116 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2OC(F)F)N1 ZINC000587722117 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(OC(F)F)cc2)N1 ZINC000587722708 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(OC(F)F)cc2)N1 ZINC000587722711 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(OC(F)F)cc2)N1 ZINC000587722719 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(OC(F)F)cc2)N1 ZINC000587722721 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cccc(OC(F)F)c2)N1 ZINC000587722731 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2cccc(OC(F)F)c2)N1 ZINC000587722734 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cccc(OC(F)F)c2)N1 ZINC000587722737 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2cccc(OC(F)F)c2)N1 ZINC000587722739 IJ Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(F)F ZINC000587722765 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(F)F ZINC000587722766 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(F)F ZINC000587722767 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC(F)F ZINC000587722768 IJ Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587722797 IJ Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587722802 IJ Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587722803 IJ Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587722804 IJ Annotated Anodyne Cc1nn2c(C(F)(F)F)ccnc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723008 IJ Annotated Anodyne Cc1nn2c(C(F)(F)F)ccnc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723009 IJ Annotated Anodyne Cc1nn2c(C(F)(F)F)ccnc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723010 IJ Annotated Anodyne Cc1nn2c(C(F)(F)F)ccnc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723011 IJ Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587723208 IJ Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587723209 IJ Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587723210 IJ Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587723211 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(F)cc2)(C(F)F)N1 ZINC000587723228 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(F)cc2)(C(F)F)N1 ZINC000587723229 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(F)cc2)(C(F)F)N1 ZINC000587723230 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(F)cc2)(C(F)F)N1 ZINC000587723231 IJ Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587723282 IJ Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587723283 IJ Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587723284 IJ Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587723285 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723348 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723349 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723350 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723351 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nc3sccn23)N1 ZINC000587723398 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nc3sccn23)N1 ZINC000587723399 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nc3sccn23)N1 ZINC000587723400 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nc3sccn23)N1 ZINC000587723401 IJ Annotated Anodyne COc1ccccc1[C@@]1(CC(=O)C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723450 IJ Annotated Anodyne COc1ccccc1[C@]1(CC(=O)C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723451 IJ Annotated Anodyne COc1ccccc1[C@@]1(CC(=O)C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723452 IJ Annotated Anodyne COc1ccccc1[C@]1(CC(=O)C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723453 IJ Annotated Anodyne COc1ccccc1C(=O)C[C@@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723478 IJ Annotated Anodyne COc1ccccc1C(=O)C[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723479 IJ Annotated Anodyne COc1ccccc1C(=O)C[C@@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723480 IJ Annotated Anodyne COc1ccccc1C(=O)C[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723481 IJ Annotated Anodyne CCOC(=O)Cc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587723574 IJ Annotated Anodyne CCOC(=O)Cc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587723575 IJ Annotated Anodyne CCOC(=O)Cc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587723576 IJ Annotated Anodyne CCOC(=O)Cc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587723577 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723644 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723645 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723646 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)CC2(F)F)N1 ZINC000587723647 IJ Annotated Anodyne COc1cccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587723734 IJ Annotated Anodyne COc1cccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587723736 IJ Annotated Anodyne COc1cccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587723737 IJ Annotated Anodyne COc1cccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587723738 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587723820 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587723822 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587723824 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(C(F)(F)F)nn(C)c2Cl)N1 ZINC000587723827 IJ Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723850 IJ Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723852 IJ Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723854 IJ Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723857 IJ Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723883 IJ Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723886 IJ Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723889 IJ Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723892 IJ Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723894 IJ Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723896 IJ Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723898 IJ Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587723900 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@]2(F)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587723922 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@]2(F)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587723923 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587723924 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587723925 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(F)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587723926 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(F)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587723927 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(F)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587723928 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(F)CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587723929 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(F)cc3F)CC2)N1 ZINC000587723978 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(F)cc3F)CC2)N1 ZINC000587723979 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(F)(F)F)Oc3ccc(N)cc32)N1 ZINC000587724022 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(F)(F)F)Oc3ccc(N)cc32)N1 ZINC000587724025 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(F)(F)F)Oc3ccc(N)cc32)N1 ZINC000587724026 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(F)(F)F)Oc3ccc(N)cc32)N1 ZINC000587724027 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SCC(=O)O)c(F)c2)N1 ZINC000587724059 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SCC(=O)O)c(F)c2)N1 ZINC000587724067 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SCC(=O)O)c(F)c2)N1 ZINC000587724069 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SCC(=O)O)c(F)c2)N1 ZINC000587724071 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724208 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724209 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724210 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724211 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724240 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724241 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724242 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587724243 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587724296 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587724297 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587724298 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587724299 IJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587724640 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587724641 IJ Annotated Reactive CC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587724642 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 ZINC000587724643 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(F)cc2F)N1 ZINC000587724751 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(F)cc2F)N1 ZINC000587724756 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(F)cc2F)N1 ZINC000587724841 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(F)cc2F)N1 ZINC000587724842 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SCC(=O)O)cc2F)N1 ZINC000587724887 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SCC(=O)O)cc2F)N1 ZINC000587724889 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(SCC(=O)O)cc2F)N1 ZINC000587724891 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(SCC(=O)O)cc2F)N1 ZINC000587724892 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587724901 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587724902 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587724903 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587724904 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587724905 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587724906 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587724908 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(F)cc2F)N1 ZINC000587724910 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724912 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724914 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724915 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587724916 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SCC(=O)O)cc2F)N1 ZINC000587725068 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SCC(=O)O)cc2F)N1 ZINC000587725069 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SCC(=O)O)cc2F)N1 ZINC000587725070 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SCC(=O)O)cc2F)N1 ZINC000587725071 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725496 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725497 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725498 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(F)c(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587725499 IJ Annotated Anodyne CCOC(=O)Cc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587725508 IJ Annotated Anodyne CCOC(=O)Cc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587725509 IJ Annotated Anodyne CCOC(=O)Cc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587725510 IJ Annotated Anodyne CCOC(=O)Cc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587725511 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)(C2CCN(C)CC2)N1 ZINC000587725570 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)(C2CCN(C)CC2)N1 ZINC000587725571 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)(C2CCN(C)CC2)N1 ZINC000587725572 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)(C2CCN(C)CC2)N1 ZINC000587725573 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(F)c2)(C2CCNCC2)N1 ZINC000587725739 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(F)c2)(C2CCNCC2)N1 ZINC000587725740 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(F)c2)(C2CCNCC2)N1 ZINC000587725741 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(F)c2)(C2CCNCC2)N1 ZINC000587725742 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc(Br)ccc2F)N1 ZINC000587725768 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc(Br)ccc2F)N1 ZINC000587725769 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc(Br)ccc2F)N1 ZINC000587725770 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc(Br)ccc2F)N1 ZINC000587725771 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Br)cc2F)N1 ZINC000587725792 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Br)cc2F)N1 ZINC000587725793 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Br)cc2F)N1 ZINC000587725794 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Br)cc2F)N1 ZINC000587725795 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2F)N1 ZINC000587725972 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2F)N1 ZINC000587725973 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2F)N1 ZINC000587725974 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2F)N1 ZINC000587725975 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(F)c(F)c3)CC2)N1 ZINC000587726063 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(F)c(F)c3)CC2)N1 ZINC000587726064 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(F)c(F)c2)N1 ZINC000587726098 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(F)c(F)c2)N1 ZINC000587726099 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(F)c(F)c2)N1 ZINC000587726100 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(F)c(F)c2)N1 ZINC000587726101 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(F)c(F)c3)CC2)N1 ZINC000587726194 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(F)c(F)c3)CC2)N1 ZINC000587726195 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(F)c2)(C2CCNCC2)N1 ZINC000587726243 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(F)c2)(C2CCNCC2)N1 ZINC000587726244 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(F)c2)(C2CCNCC2)N1 ZINC000587726246 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(F)c2)(C2CCNCC2)N1 ZINC000587726247 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587726265 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587726267 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)(C2CCN(C)CC2)N1 ZINC000587726272 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)(C2CCN(C)CC2)N1 ZINC000587726273 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)(C2CCN(C)CC2)N1 ZINC000587726274 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)(C2CCN(C)CC2)N1 ZINC000587726275 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587726350 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(F)c(F)c2)N1 ZINC000587726351 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(F)cc3F)CC2)N1 ZINC000587726428 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(F)cc3F)CC2)N1 ZINC000587726429 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2F)N1 ZINC000587726546 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2F)N1 ZINC000587726547 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2F)N1 ZINC000587726548 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2F)N1 ZINC000587726549 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SCC(=O)O)c(F)c2)N1 ZINC000587726574 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SCC(=O)O)c(F)c2)N1 ZINC000587726575 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(SCC(=O)O)c(F)c2)N1 ZINC000587726576 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(SCC(=O)O)c(F)c2)N1 ZINC000587726577 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(F)c(F)c2)N1 ZINC000587726638 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(F)c(F)c2)N1 ZINC000587726639 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc(F)c(F)c2)N1 ZINC000587726640 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc(F)c(F)c2)N1 ZINC000587726641 IJ Annotated Anodyne CC(=O)Nc1ccc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587726745 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587726746 IJ Annotated Reactive CC(=O)Nc1ccc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587726747 IJ Annotated Reactive CC(=O)Nc1ccc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 ZINC000587726748 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(F)cc2F)N1 ZINC000587726781 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(F)cc2F)N1 ZINC000587726783 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc(F)cc2F)N1 ZINC000587726784 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc(F)cc2F)N1 ZINC000587726786 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3ccccc3F)cn2C)N1 ZINC000587726848 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3ccccc3F)cn2C)N1 ZINC000587726849 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3ccccc3F)cn2C)N1 ZINC000587726850 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3ccccc3F)cn2C)N1 ZINC000587726851 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C=O)n(C)c2)(c2ccccc2F)N1 ZINC000587726951 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C=O)n(C)c2)(c2ccccc2F)N1 ZINC000587726953 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C=O)n(C)c2)(c2ccccc2F)N1 ZINC000587726954 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C=O)n(C)c2)(c2ccccc2F)N1 ZINC000587726956 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cc(F)cc(F)c2)N1 ZINC000587727144 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cc(F)cc(F)c2)N1 ZINC000587727145 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cc(F)cc(F)c2)N1 ZINC000587727148 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cc(F)cc(F)c2)N1 ZINC000587727149 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ncc2F)N1 ZINC000587727937 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ncc2F)N1 ZINC000587727941 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ncc2F)N1 ZINC000587727945 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ncc2F)N1 ZINC000587727948 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2O)N1 ZINC000587728180 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2O)N1 ZINC000587728181 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2O)N1 ZINC000587728182 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2O)N1 ZINC000587728183 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3ccccc3F)cn2C)N1 ZINC000587728235 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)c3ccccc3F)cn2C)N1 ZINC000587728239 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3ccccc3F)cn2C)N1 ZINC000587728243 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)c3ccccc3F)cn2C)N1 ZINC000587728248 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc(Br)ccc2F)N1 ZINC000587728295 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc(Br)ccc2F)N1 ZINC000587728297 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc(Br)ccc2F)N1 ZINC000587728300 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc(Br)ccc2F)N1 ZINC000587728305 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCCC#N ZINC000587728655 IJ Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCCC#N ZINC000587728657 IJ Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCCC#N ZINC000587728660 IJ Annotated Mild COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCCC#N ZINC000587728663 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C=O)n(C)c2)(c2ccccc2F)N1 ZINC000587728807 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C=O)n(C)c2)(c2ccccc2F)N1 ZINC000587728812 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C=O)n(C)c2)(c2ccccc2F)N1 ZINC000587728813 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C=O)n(C)c2)(c2ccccc2F)N1 ZINC000587728817 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc(F)cc3Cl)nn2)N1 ZINC000587728980 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc(F)cc3Cl)nn2)N1 ZINC000587728985 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccc(F)cc3Cl)nn2)N1 ZINC000587728990 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccc(F)cc3Cl)nn2)N1 ZINC000587728995 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587729136 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587729139 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587729141 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587729144 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587729310 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587729311 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587729312 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587729313 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(Br)c2O)N1 ZINC000587729484 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(Br)c2O)N1 ZINC000587729488 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(Br)c2O)N1 ZINC000587729492 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(Br)c2O)N1 ZINC000587729494 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Br)cc2F)N1 ZINC000587729621 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Br)cc2F)N1 ZINC000587729623 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Br)cc2F)N1 ZINC000587729624 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Br)cc2F)N1 ZINC000587729625 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(Br)c2O)N1 ZINC000587729630 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(Br)c2O)N1 ZINC000587729631 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(Br)c2O)N1 ZINC000587729633 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(Br)c2O)N1 ZINC000587729635 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3ccc(F)cc3)cn2C)N1 ZINC000587729720 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)c3ccc(F)cc3)cn2C)N1 ZINC000587729723 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3ccc(F)cc3)cn2C)N1 ZINC000587729726 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)c3ccc(F)cc3)cn2C)N1 ZINC000587729728 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccnc2N)N1 ZINC000587729896 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccnc2N)N1 ZINC000587729902 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccnc2N)N1 ZINC000587729904 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccnc2N)N1 ZINC000587729906 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2O)N1 ZINC000587730048 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2O)N1 ZINC000587730050 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2O)N1 ZINC000587730052 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2O)N1 ZINC000587730053 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC=C2I)N1 ZINC000587730128 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587730136 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587730137 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587730139 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587730141 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC=C2I)N1 ZINC000587730144 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587730234 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587730236 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587730239 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587730243 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC=C2I)N1 ZINC000587730509 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC=C2I)N1 ZINC000587730511 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(OCC#N)ccc32)N1 ZINC000587730576 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(OCC#N)ccc32)N1 ZINC000587730577 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3cc(OCC#N)ccc32)N1 ZINC000587730578 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3cc(OCC#N)ccc32)N1 ZINC000587730579 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc(F)cc3Cl)nn2)N1 ZINC000587731324 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc(F)cc3Cl)nn2)N1 ZINC000587731326 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccc(F)cc3Cl)nn2)N1 ZINC000587731327 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccc(F)cc3Cl)nn2)N1 ZINC000587731329 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2O)N1 ZINC000587731794 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2O)N1 ZINC000587731795 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2O)N1 ZINC000587731796 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2O)N1 ZINC000587731797 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(F)cc2Br)N1 ZINC000587731816 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(F)cc2Br)N1 ZINC000587731817 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(F)cc2Br)N1 ZINC000587731818 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(F)cc2Br)N1 ZINC000587731819 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587732260 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587732261 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587732262 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587732264 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2O)N1 ZINC000587732447 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2O)N1 ZINC000587732449 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2O)N1 ZINC000587732452 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2O)N1 ZINC000587732454 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587732534 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587732536 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587732538 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732539 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cnc2NC(=O)C(C)(C)C)N1 ZINC000587732540 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732541 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732543 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587732545 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2)N1 ZINC000587732926 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2)N1 ZINC000587732927 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2)N1 ZINC000587732928 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2)N1 ZINC000587732929 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587733235 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587733239 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587733241 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587733246 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(F)c2)N1 ZINC000587733348 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(F)c2)N1 ZINC000587733352 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(F)c2)N1 ZINC000587733354 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(F)c2)N1 ZINC000587733358 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccncn2)(c2ccc(F)cc2)N1 ZINC000587733400 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccncn2)(c2ccc(F)cc2)N1 ZINC000587733423 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccncn2)(c2ccc(F)cc2)N1 ZINC000587733425 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccncn2)(c2ccc(F)cc2)N1 ZINC000587733428 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cc(F)cc(F)c2)N1 ZINC000587733649 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cc(F)cc(F)c2)N1 ZINC000587733651 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cc(F)cc(F)c2)N1 ZINC000587733653 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cc(F)cc(F)c2)N1 ZINC000587733656 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ncc2F)N1 ZINC000587733976 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ncc2F)N1 ZINC000587733979 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ncc2F)N1 ZINC000587733982 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ncc2F)N1 ZINC000587733986 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587734039 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587734042 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587734045 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587734047 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(CCc3ccc(F)cc3)CC2)N1 ZINC000587734436 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(CCc3ccc(F)cc3)CC2)N1 ZINC000587734440 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC=C2I)N1 ZINC000587735028 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC=C2I)N1 ZINC000587735030 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC=C2I)N1 ZINC000587735031 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC=C2I)N1 ZINC000587735033 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(F)c2)N1 ZINC000587735155 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(F)c2)N1 ZINC000587735156 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(F)c2)N1 ZINC000587735157 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(F)c2)N1 ZINC000587735158 IJ Annotated Reactive CCOC(=O)C[C@]1(Cc2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735175 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735176 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735177 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587735178 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)cc(F)c2)(c2cccnc2N)N1 ZINC000587735199 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)cc(F)c2)(c2cccnc2N)N1 ZINC000587735200 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)cc(F)c2)(c2cccnc2N)N1 ZINC000587735201 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)cc(F)c2)(c2cccnc2N)N1 ZINC000587735202 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccnc2N)N1 ZINC000587735443 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccnc2N)N1 ZINC000587735445 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccnc2N)N1 ZINC000587735446 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccnc2N)N1 ZINC000587735448 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(OCC#N)ccc32)N1 ZINC000587735687 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(OCC#N)ccc32)N1 ZINC000587735688 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3cc(OCC#N)ccc32)N1 ZINC000587735689 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3cc(OCC#N)ccc32)N1 ZINC000587735690 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccncn2)(c2ccc(F)cc2)N1 ZINC000587735897 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccncn2)(c2ccc(F)cc2)N1 ZINC000587735899 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccncn2)(c2ccc(F)cc2)N1 ZINC000587735901 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccncn2)(c2ccc(F)cc2)N1 ZINC000587735903 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCCC#N ZINC000587735985 IJ Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCCC#N ZINC000587735991 IJ Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCCC#N ZINC000587735994 IJ Annotated Mild COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCCC#N ZINC000587735996 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587736147 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587736148 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587736149 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cc(F)cc(F)c2)N1 ZINC000587736150 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)cc(F)c2)(c2cccnc2N)N1 ZINC000587736177 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)cc(F)c2)(c2cccnc2N)N1 ZINC000587736179 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)cc(F)c2)(c2cccnc2N)N1 ZINC000587736180 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)cc(F)c2)(c2cccnc2N)N1 ZINC000587736181 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2)N1 ZINC000587736182 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2)N1 ZINC000587736183 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2)N1 ZINC000587736184 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2)N1 ZINC000587736185 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(F)cc2Br)N1 ZINC000587736445 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(F)cc2Br)N1 ZINC000587736447 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(F)cc2Br)N1 ZINC000587736449 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(F)cc2Br)N1 ZINC000587736450 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cnc2F)N1 ZINC000587736494 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cnc2F)N1 ZINC000587736497 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cnc2F)N1 ZINC000587736499 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cnc2F)N1 ZINC000587736502 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(CCc3ccc(F)cc3)CC2)N1 ZINC000587736640 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(CCc3ccc(F)cc3)CC2)N1 ZINC000587736641 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(I)c2)N1 ZINC000587737272 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(I)c2)N1 ZINC000587737273 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(I)c2)N1 ZINC000587737274 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(I)c2)N1 ZINC000587737275 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3ccc(F)cc3)cn2C)N1 ZINC000587737352 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3ccc(F)cc3)cn2C)N1 ZINC000587737355 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3ccc(F)cc3)cn2C)N1 ZINC000587737358 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3ccc(F)cc3)cn2C)N1 ZINC000587737361 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587737657 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587737659 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587737661 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cc(C=O)n(C)c2)N1 ZINC000587737662 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2)N1 ZINC000587737712 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2)N1 ZINC000587737713 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2)N1 ZINC000587737714 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2)N1 ZINC000587737715 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cnc2F)N1 ZINC000587738038 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cnc2F)N1 ZINC000587738039 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cnc2F)N1 ZINC000587738040 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cnc2F)N1 ZINC000587738041 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2I)N1 ZINC000587738256 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2I)N1 ZINC000587738257 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2I)N1 ZINC000587738258 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2I)N1 ZINC000587738259 IJ Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738637 IJ Annotated Clean CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738641 IJ Annotated Clean CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738643 IJ Annotated Clean CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738646 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(I)c2)N1 ZINC000587738723 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(I)c2)N1 ZINC000587738725 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(I)c2)N1 ZINC000587738726 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(I)c2)N1 ZINC000587738728 IJ Annotated Anodyne C=CCN(C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCc1ccccc1 ZINC000587738800 IJ Annotated Mild C=CCN(C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCc1ccccc1 ZINC000587738801 IJ Annotated Mild C=CCN(C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCc1ccccc1 ZINC000587738802 IJ Annotated Mild C=CCN(C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCc1ccccc1 ZINC000587738803 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2)N1 ZINC000587739107 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2)N1 ZINC000587739108 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2)N1 ZINC000587739206 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2)N1 ZINC000587739207 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2I)N1 ZINC000587739301 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2I)N1 ZINC000587739303 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2I)N1 ZINC000587739305 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2I)N1 ZINC000587739306 IJ Annotated Anodyne C[C@H](Oc1ccccc1)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739391 IJ Annotated Anodyne C[C@H](Oc1ccccc1)[C@]1(/C=C\N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587739402 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)([C@@H](C)Oc2ccccc2)N1 ZINC000587739404 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)([C@@H](C)Oc2ccccc2)N1 ZINC000587739406 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587739591 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587739601 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587739602 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587739603 IJ Annotated Anodyne COc1cccc([C@@]2([C@@H](C)CN(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739909 IJ Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739910 IJ Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739911 IJ Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739912 IJ Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739913 IJ Annotated Anodyne COc1cccc([C@@]2([C@@H](C)CN(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739914 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cccc3ncoc23)N1 ZINC000587739965 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cccc3ncoc23)N1 ZINC000587739966 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cccc3ncoc23)N1 ZINC000587739967 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cccc3ncoc23)N1 ZINC000587739968 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587740073 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587740088 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587740090 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587740091 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(NC(=O)OC(C)(C)C)nc2)N1 ZINC000587740227 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(NC(=O)OC(C)(C)C)nc2)N1 ZINC000587740228 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(NC(=O)OC(C)(C)C)nc2)N1 ZINC000587740229 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(NC(=O)OC(C)(C)C)nc2)N1 ZINC000587740231 IJ Annotated Anodyne CC(=O)Nc1cccc(C(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587740814 IJ Annotated Anodyne CC(=O)Nc1cccc(C(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587740819 IJ Annotated Anodyne CC(=O)Nc1cccc(C(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587740820 IJ Annotated Anodyne CC(=O)Nc1cccc(C(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587740821 IJ Annotated Anodyne CCN(C)C(=O)Oc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740826 IJ Annotated Anodyne CCN(C)C(=O)Oc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740828 IJ Annotated Anodyne CCN(C)C(=O)Oc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740830 IJ Annotated Anodyne CCN(C)C(=O)Oc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587740832 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2NC(=O)OC(C)(C)C)N1 ZINC000587741026 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2NC(=O)OC(C)(C)C)N1 ZINC000587741027 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2NC(=O)OC(C)(C)C)N1 ZINC000587741028 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2NC(=O)OC(C)(C)C)N1 ZINC000587741029 IJ Annotated Anodyne C=CCN(C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCc1ccccc1 ZINC000587741101 IJ Annotated Mild C=CCN(C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCc1ccccc1 ZINC000587741104 IJ Annotated Mild C=CCN(C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCc1ccccc1 ZINC000587741107 IJ Annotated Mild C=CCN(C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCc1ccccc1 ZINC000587741109 IJ Annotated Mild CCN(CC)CCOc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741173 IJ Annotated Anodyne CCN(CC)CCOc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741175 IJ Annotated Anodyne CCN(CC)CCOc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741176 IJ Annotated Anodyne CCN(CC)CCOc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741178 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2NC(=O)OC(C)(C)C)N1 ZINC000587741669 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2NC(=O)OC(C)(C)C)N1 ZINC000587741671 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2NC(=O)OC(C)(C)C)N1 ZINC000587741672 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2NC(=O)OC(C)(C)C)N1 ZINC000587741673 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2NC(=O)OC(C)(C)C)N1 ZINC000587741687 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2NC(=O)OC(C)(C)C)N1 ZINC000587741691 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2NC(=O)OC(C)(C)C)N1 ZINC000587741694 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2NC(=O)OC(C)(C)C)N1 ZINC000587741697 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(NC(=O)OC(C)(C)C)CC2)N1 ZINC000587741889 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(NC(=O)OC(C)(C)C)CC2)N1 ZINC000587741892 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587741899 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587741900 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587741901 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587741903 IJ Annotated Anodyne CCCC(=O)Nc1ccc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587742064 IJ Annotated Clean CCCC(=O)Nc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587742067 IJ Annotated Clean CCCC(=O)Nc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587742068 IJ Annotated Clean CCCC(=O)Nc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587742071 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cccc3ncoc23)N1 ZINC000587742113 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cccc3ncoc23)N1 ZINC000587742115 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cccc3ncoc23)N1 ZINC000587742118 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cccc3ncoc23)N1 ZINC000587742120 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2NC(=O)OC(C)(C)C)N1 ZINC000587742168 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2NC(=O)OC(C)(C)C)N1 ZINC000587742170 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2NC(=O)OC(C)(C)C)N1 ZINC000587742172 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2NC(=O)OC(C)(C)C)N1 ZINC000587742174 IJ Annotated Anodyne CCN(CC)CCOc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742247 IJ Annotated Anodyne CCN(CC)CCOc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742248 IJ Annotated Anodyne CCN(CC)CCOc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742249 IJ Annotated Anodyne CCN(CC)CCOc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742250 IJ Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587742360 IJ Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587742362 IJ Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587742363 IJ Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587742365 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(NC(=O)OC(C)(C)C)nc2)N1 ZINC000587742408 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(NC(=O)OC(C)(C)C)nc2)N1 ZINC000587742410 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(NC(=O)OC(C)(C)C)nc2)N1 ZINC000587742412 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(NC(=O)OC(C)(C)C)nc2)N1 ZINC000587742414 IJ Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587742476 IJ Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587742477 IJ Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587742478 IJ Annotated Anodyne Cc1ccc(NC(=O)[C@H](N=O)[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587742481 IJ Annotated Anodyne Cc1cc2oc(N)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1C ZINC000587742507 IJ Annotated Anodyne Cc1cc2oc(N)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1C ZINC000587742508 IJ Annotated Anodyne Cc1cc2oc(N)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1C ZINC000587742509 IJ Annotated Anodyne Cc1cc2oc(N)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1C ZINC000587742510 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2NC(=O)OC(C)(C)C)N1 ZINC000587742640 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2NC(=O)OC(C)(C)C)N1 ZINC000587742641 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2NC(=O)OC(C)(C)C)N1 ZINC000587742642 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2NC(=O)OC(C)(C)C)N1 ZINC000587742644 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2NC(=O)OC(C)(C)C)N1 ZINC000587742778 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2NC(=O)OC(C)(C)C)N1 ZINC000587742779 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2NC(=O)OC(C)(C)C)N1 ZINC000587742781 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2NC(=O)OC(C)(C)C)N1 ZINC000587742782 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)([C@@H](C)Oc2ccccc2)N1 ZINC000587742844 IJ Annotated Anodyne C[C@H](Oc1ccccc1)[C@]1(/C=C\N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742845 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)([C@@H](C)Oc2ccccc2)N1 ZINC000587742846 IJ Annotated Anodyne C[C@H](Oc1ccccc1)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742847 IJ Annotated Anodyne CCCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587743201 IJ Annotated Bother CCCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587743202 IJ Annotated Bother CCCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587743203 IJ Annotated Bother CCCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587743204 IJ Annotated Bother COc1cccc([C@@]2([C@@H](C)CN(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743728 IJ Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743732 IJ Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743736 IJ Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743741 IJ Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743745 IJ Annotated Anodyne COc1cccc([C@@]2([C@@H](C)CN(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743748 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 ZINC000587743759 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 ZINC000587743761 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 ZINC000587743764 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 ZINC000587743766 IJ Annotated Clean CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744007 IJ Annotated Clean CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744009 IJ Annotated Clean CCN(CC)c1ccc2c(c1)OC(=O)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744011 IJ Annotated Clean CCN(CC)c1ccc2c(c1)OC(=O)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744013 IJ Annotated Clean Cc1cnc(NC(=O)C(C)(C)C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744068 IJ Annotated Anodyne Cc1cnc(NC(=O)C(C)(C)C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744076 IJ Annotated Anodyne Cc1cnc(NC(=O)C(C)(C)C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744079 IJ Annotated Anodyne Cc1cnc(NC(=O)C(C)(C)C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744083 IJ Annotated Anodyne CCOc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744121 IJ Annotated Anodyne CCOc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744126 IJ Annotated Anodyne CCOc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744128 IJ Annotated Anodyne CCOc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744130 IJ Annotated Anodyne CCOc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744132 IJ Annotated Anodyne CCOc1ccc([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744134 IJ Annotated Anodyne CCOc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744136 IJ Annotated Anodyne CCOc1ccc([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744138 IJ Annotated Anodyne CC(=O)Nc1cccc(C(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744189 IJ Annotated Anodyne CC(=O)Nc1cccc(C(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744191 IJ Annotated Anodyne CC(=O)Nc1cccc(C(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744193 IJ Annotated Anodyne CC(=O)Nc1cccc(C(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744195 IJ Annotated Anodyne CCCC(=O)Nc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744209 IJ Annotated Clean CCCC(=O)Nc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744212 IJ Annotated Clean CCCC(=O)Nc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744214 IJ Annotated Clean CCCC(=O)Nc1ccc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744217 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587744328 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587744329 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587744330 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(NC(=O)OC(C)(C)C)c2)N1 ZINC000587744331 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccc(N(C)C)cc3)C2)N1 ZINC000587744506 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)N1 ZINC000587744508 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)N1 ZINC000587744511 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccc(N(C)C)cc3)C2)N1 ZINC000587744513 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NC2C3CC4CC(C3)CC2C4)N1 ZINC000587744519 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NC2C3CC4CC(C3)CC2C4)N1 ZINC000587744524 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NC2C3CC4CC(C3)CC2C4)N1 ZINC000587744525 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NC2C3CC4CC(C3)CC2C4)N1 ZINC000587744527 IJ Annotated Anodyne Cc1cnc(NC(=O)C(C)(C)C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587744641 IJ Annotated Anodyne Cc1cnc(NC(=O)C(C)(C)C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587744642 IJ Annotated Anodyne Cc1cnc(NC(=O)C(C)(C)C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587744643 IJ Annotated Anodyne Cc1cnc(NC(=O)C(C)(C)C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587744644 IJ Annotated Anodyne Cc1ccc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587744777 IJ Annotated Bother Cc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587744779 IJ Annotated Bother Cc1ccc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587744781 IJ Annotated Bother Cc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587744782 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N)c(N)c2)N1 ZINC000587744872 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N)c(N)c2)N1 ZINC000587744873 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N)c(N)c2)N1 ZINC000587744874 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N)c(N)c2)N1 ZINC000587744875 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N)c(N)c2)N1 ZINC000587744904 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N)c(N)c2)N1 ZINC000587744905 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N)c(N)c2)N1 ZINC000587744906 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N)c(N)c2)N1 ZINC000587744907 IJ Annotated Anodyne CC(=O)Nc1ccc2nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587745054 IJ Annotated Anodyne CC(=O)Nc1ccc2nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587745055 IJ Annotated Anodyne CC(=O)Nc1ccc2nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587745056 IJ Annotated Anodyne CC(=O)Nc1ccc2nc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587745057 IJ Annotated Anodyne CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745082 IJ Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745083 IJ Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745085 IJ Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587745086 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(N)cc12 ZINC000587745472 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(N)cc12 ZINC000587745492 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(N)cc12 ZINC000587745497 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(N)cc12 ZINC000587745500 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(CC(NC(=O)OC(C)(C)C)C3)C2)N1 ZINC000587745752 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC3(CC(NC(=O)OC(C)(C)C)C3)C2)N1 ZINC000587745753 IJ Annotated Anodyne Cc1cc2oc(N)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1C ZINC000587745895 IJ Annotated Anodyne Cc1cc2oc(N)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1C ZINC000587745899 IJ Annotated Anodyne Cc1cc2oc(N)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1C ZINC000587745904 IJ Annotated Anodyne Cc1cc2oc(N)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1C ZINC000587745908 IJ Annotated Anodyne CCC[C@]1(c2cc3c(cc2N)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745926 IJ Annotated Anodyne CC(=O)Nc1ccc2nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587745970 IJ Annotated Anodyne CC(=O)Nc1ccc2nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587745971 IJ Annotated Anodyne CC(=O)Nc1ccc2nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587745972 IJ Annotated Anodyne CC(=O)Nc1ccc2nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587745973 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587745978 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587745979 IJ Annotated Anodyne CCC[C@@]1(c2cc3c(cc2N)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745980 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587745981 IJ Annotated Anodyne CCC[C@]1(c2cc3c(cc2N)OCCO3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745982 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2CNC(=O)OC(C)(C)C)N1 ZINC000587745983 IJ Annotated Anodyne CCC[C@@]1(c2cc3c(cc2N)OCCO3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745984 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(N)ccc12 ZINC000587746059 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(N)ccc12 ZINC000587746060 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(N)ccc12 ZINC000587746066 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(N)ccc12 ZINC000587746068 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(NC(=O)OC(C)(C)C)CC2)N1 ZINC000587746243 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(NC(=O)OC(C)(C)C)CC2)N1 ZINC000587746244 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587746410 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587746412 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587746415 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587746418 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 ZINC000587746430 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 ZINC000587746434 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 ZINC000587746437 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 ZINC000587746438 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(N)=O)cc3)o2)N1 ZINC000587746746 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(N)=O)cc3)o2)N1 ZINC000587746757 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(N)=O)cc3)o2)N1 ZINC000587746759 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(N)=O)cc3)o2)N1 ZINC000587746760 IJ Annotated Anodyne Cc1ccc([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587746776 IJ Annotated Bother Cc1ccc([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587746777 IJ Annotated Bother Cc1ccc([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587746778 IJ Annotated Bother Cc1ccc([C@]2(/C=C\N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587746779 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(CC(NC(=O)OC(C)(C)C)C3)C2)N1 ZINC000587746845 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(CC(NC(=O)OC(C)(C)C)C3)C2)N1 ZINC000587746848 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587746881 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587746883 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587746884 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587746886 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NC2C3CC4CC(C3)CC2C4)N1 ZINC000587746907 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NC2C3CC4CC(C3)CC2C4)N1 ZINC000587746908 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NC2C3CC4CC(C3)CC2C4)N1 ZINC000587746909 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NC2C3CC4CC(C3)CC2C4)N1 ZINC000587746910 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NC2CCCCCCC2)N1 ZINC000587746935 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NC2CCCCCCC2)N1 ZINC000587746936 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NC2CCCCCCC2)N1 ZINC000587746937 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NC2CCCCCCC2)N1 ZINC000587746938 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(N)cccc12 ZINC000587746989 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(N)cccc12 ZINC000587746990 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(N)cccc12 ZINC000587746993 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(N)cccc12 ZINC000587746995 IJ Annotated Anodyne C=C(NOC(=O)OCC)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746996 IJ Annotated Mild C=C(NOC(=O)OCC)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746998 IJ Annotated Mild C=C(NOC(=O)OCC)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746999 IJ Annotated Mild C=C(NOC(=O)OCC)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747001 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(N)cc12 ZINC000587747056 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(N)cc12 ZINC000587747057 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(N)cc12 ZINC000587747058 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(N)cc12 ZINC000587747059 IJ Annotated Anodyne CCCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2nc(N)oc12 ZINC000587747132 IJ Annotated Anodyne CCCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc2nc(N)oc12 ZINC000587747134 IJ Annotated Anodyne CCCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2nc(N)oc12 ZINC000587747135 IJ Annotated Anodyne CCCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2nc(N)oc12 ZINC000587747137 IJ Annotated Anodyne CCCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587747329 IJ Annotated Bother CCCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587747331 IJ Annotated Bother CCCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587747333 IJ Annotated Bother CCCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587747335 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 ZINC000587747385 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 ZINC000587747386 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 ZINC000587747388 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2[N+](=O)[O-])N1 ZINC000587747390 IJ Annotated Bother CCC[C@@]1(c2cc3c(cc2N)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747403 IJ Annotated Anodyne CCC[C@]1(c2cc3c(cc2N)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747405 IJ Annotated Anodyne CCC[C@@]1(c2cc3c(cc2N)OCCO3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747407 IJ Annotated Anodyne CCC[C@]1(c2cc3c(cc2N)OCCO3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747410 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(=N/N)c2ccccc2)(c2ccccc2)N1 ZINC000587747444 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C(=N/N)c2ccccc2)(c2ccccc2)N1 ZINC000587747446 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C(=N/N)c2ccccc2)(c2ccccc2)N1 ZINC000587747448 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(=N/N)c2ccccc2)(c2ccccc2)N1 ZINC000587747450 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 ZINC000587747798 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 ZINC000587747799 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 ZINC000587747800 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 ZINC000587747801 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 ZINC000587747907 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 ZINC000587747908 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 ZINC000587747909 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)CN=[N+]=[N-])c2)N1 ZINC000587747910 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 ZINC000587747927 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 ZINC000587747928 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 ZINC000587747929 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCC2)N1 ZINC000587747930 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccc(N)cc2)(c2ccc(N)cc2)N1 ZINC000587747968 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccc(N)cc2)(c2ccc(N)cc2)N1 ZINC000587747969 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587748026 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587748027 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587748028 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587748029 IJ Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587748073 IJ Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587748075 IJ Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587748078 IJ Annotated Bother CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587748080 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(N)ccc12 ZINC000587748097 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(N)ccc12 ZINC000587748099 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(N)ccc12 ZINC000587748102 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(N)ccc12 ZINC000587748104 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(N)c12 ZINC000587748138 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(N)c12 ZINC000587748139 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(N)c12 ZINC000587748140 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(N)c12 ZINC000587748141 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccc(N)cc2)(c2ccc(N)cc2)N1 ZINC000587748162 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccc(N)cc2)(c2ccc(N)cc2)N1 ZINC000587748163 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(N)cccc12 ZINC000587748222 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(N)cccc12 ZINC000587748225 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(N)cccc12 ZINC000587748227 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(N)cccc12 ZINC000587748230 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(=N/N)c2ccccc2)(c2ccccc2)N1 ZINC000587748251 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C(=N/N)c2ccccc2)(c2ccccc2)N1 ZINC000587748253 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C(=N/N)c2ccccc2)(c2ccccc2)N1 ZINC000587748255 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(=N/N)c2ccccc2)(c2ccccc2)N1 ZINC000587748256 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(N)c12 ZINC000587748311 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(N)c12 ZINC000587748314 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(N)c12 ZINC000587748316 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(N)c12 ZINC000587748320 IJ Annotated Anodyne CCCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2nc(N)oc12 ZINC000587749038 IJ Annotated Anodyne CCCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc2nc(N)oc12 ZINC000587749039 IJ Annotated Anodyne CCCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2nc(N)oc12 ZINC000587749040 IJ Annotated Anodyne CCCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2nc(N)oc12 ZINC000587749041 IJ Annotated Anodyne COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749240 IJ Annotated Bother COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749241 IJ Annotated Bother COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749242 IJ Annotated Bother COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749243 IJ Annotated Bother C=C(NOC(=O)OCC)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749325 IJ Annotated Mild C=C(NOC(=O)OCC)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749326 IJ Annotated Mild C=C(NOC(=O)OCC)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749328 IJ Annotated Mild C=C(NOC(=O)OCC)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749329 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2NC(=O)OC(C)(C)C)N1 ZINC000587749407 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2NC(=O)OC(C)(C)C)N1 ZINC000587749409 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2NC(=O)OC(C)(C)C)N1 ZINC000587749411 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2NC(=O)OC(C)(C)C)N1 ZINC000587749413 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587749464 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587749465 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587749467 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587749468 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000587749625 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000587749635 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000587749638 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000587749640 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NC2CCCCCCC2)N1 ZINC000587749673 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NC2CCCCCCC2)N1 ZINC000587749675 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NC2CCCCCCC2)N1 ZINC000587749678 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NC2CCCCCCC2)N1 ZINC000587749679 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587749828 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587749829 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587749830 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587749831 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587750194 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587750196 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587750198 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587750199 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2NC(=O)OC(C)(C)C)N1 ZINC000587750360 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2NC(=O)OC(C)(C)C)N1 ZINC000587750364 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2NC(=O)OC(C)(C)C)N1 ZINC000587750367 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2NC(=O)OC(C)(C)C)N1 ZINC000587750371 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587750940 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587750942 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587750943 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587750945 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(N)=O)cc3)o2)N1 ZINC000587751023 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(N)=O)cc3)o2)N1 ZINC000587751024 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(N)=O)cc3)o2)N1 ZINC000587751025 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(N)=O)cc3)o2)N1 ZINC000587751026 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000587751297 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000587751298 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587751407 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587751408 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587751409 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587751410 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587751757 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587751759 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587751760 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587751762 IJ Annotated Bother Cc1ccc([C@@]2(c3cc(C=O)n(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587751877 IJ Annotated Anodyne Cc1ccc([C@]2(c3cc(C=O)n(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587751881 IJ Annotated Anodyne Cc1ccc([C@]2(c3cc(C=O)n(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587751883 IJ Annotated Anodyne Cc1ccc([C@@]2(c3cc(C=O)n(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587751884 IJ Annotated Anodyne COc1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1[N+](=O)[O-] ZINC000587752003 IJ Annotated Bother COc1ccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1[N+](=O)[O-] ZINC000587752004 IJ Annotated Bother COc1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1[N+](=O)[O-] ZINC000587752005 IJ Annotated Bother COc1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1[N+](=O)[O-] ZINC000587752006 IJ Annotated Bother COC(=O)c1ccccc1-n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752159 IJ Annotated Anodyne COC(=O)c1ccccc1-n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752160 IJ Annotated Anodyne COC(=O)c1ccccc1-n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752161 IJ Annotated Anodyne COC(=O)c1ccccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752162 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccc(N(C)C)cc3)C2)N1 ZINC000587752239 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)N1 ZINC000587752240 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)N1 ZINC000587752241 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccc(N(C)C)cc3)C2)N1 ZINC000587752242 IJ Annotated Anodyne COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752263 IJ Annotated Bother COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752264 IJ Annotated Bother COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752265 IJ Annotated Bother COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752266 IJ Annotated Bother Cc1cnc(O)n1-c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587752443 IJ Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587752444 IJ Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587752445 IJ Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587752446 IJ Annotated Anodyne COc1ccc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1[N+](=O)[O-] ZINC000587752544 IJ Annotated Bother COc1ccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1[N+](=O)[O-] ZINC000587752545 IJ Annotated Bother COc1ccc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1[N+](=O)[O-] ZINC000587752547 IJ Annotated Bother COc1ccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1[N+](=O)[O-] ZINC000587752548 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2[C@@H](C(=O)O)c2ccccc2)N1 ZINC000587752727 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2[C@@H](C(=O)O)c2ccccc2)N1 ZINC000587752728 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2[C@H](C(=O)O)c2ccccc2)N1 ZINC000587752730 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2[C@H](C(=O)O)c2ccccc2)N1 ZINC000587752731 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3ccccc3)cn2C)N1 ZINC000587752732 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3ccccc3)cn2C)N1 ZINC000587752737 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)c3ccccc3)cn2C)N1 ZINC000587752738 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)c3ccccc3)cn2C)N1 ZINC000587752740 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccnc1C ZINC000587752765 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccnc1C ZINC000587752768 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccnc1C ZINC000587752769 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1ccnc1C ZINC000587752770 IJ Annotated Anodyne COC(=O)Cn1c(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587752826 IJ Annotated Clean COC(=O)Cn1c(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587752827 IJ Annotated Clean COC(=O)Cn1c(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587752828 IJ Annotated Clean COC(=O)Cn1c(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587752829 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000587752842 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000587752843 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000587752844 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000587752845 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)OC(C)(C)C)(C2CCC2)N1 ZINC000587753246 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)OC(C)(C)C)(C2CCC2)N1 ZINC000587753247 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)OC(C)(C)C)(C2CCC2)N1 ZINC000587753248 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)OC(C)(C)C)(C2CCC2)N1 ZINC000587753250 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587753338 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587753340 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587753342 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587753344 IJ Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000587753393 IJ Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000587753394 IJ Annotated Bother COc1ccc([C@@]2(CCn3ccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587753510 IJ Annotated Anodyne COc1ccc([C@]2(CCn3ccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587753511 IJ Annotated Anodyne COc1ccc([C@@]2(CCn3ccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587753512 IJ Annotated Anodyne COc1ccc([C@]2(CCn3ccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587753514 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2O)cc1 ZINC000587753539 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2O)cc1 ZINC000587753541 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2O)cc1 ZINC000587753542 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2O)cc1 ZINC000587753543 IJ Annotated Anodyne Cc1ccc([C@]2(CCn3ccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753805 IJ Annotated Anodyne Cc1ccc([C@@]2(CCn3ccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753806 IJ Annotated Anodyne Cc1ccc([C@@]2(CCn3ccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753807 IJ Annotated Anodyne Cc1ccc([C@]2(CCn3ccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587753808 IJ Annotated Anodyne COC(=O)Cn1c(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587753821 IJ Annotated Clean COC(=O)Cn1c(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587753822 IJ Annotated Clean COC(=O)Cn1c(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587753823 IJ Annotated Clean COC(=O)Cn1c(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587753824 IJ Annotated Clean Cc1ccc([C@]2(CCn3ccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587753869 IJ Annotated Anodyne Cc1ccc([C@@]2(CCn3ccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587753870 IJ Annotated Anodyne Cc1ccc([C@@]2(CCn3ccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587753871 IJ Annotated Anodyne Cc1ccc([C@]2(CCn3ccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587753872 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3nccn3C)cc2)N1 ZINC000587754244 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3nccn3C)cc2)N1 ZINC000587754246 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3nccn3C)cc2)N1 ZINC000587754247 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3nccn3C)cc2)N1 ZINC000587754249 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(C(=O)O)cc2)N1 ZINC000587754269 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(C(=O)O)cc2)N1 ZINC000587754270 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(C(=O)O)cc2)N1 ZINC000587754273 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(C(=O)O)cc2)N1 ZINC000587754275 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587754280 IJ Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587754282 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587754284 IJ Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587754287 IJ Annotated Bother Cc1ccc([C@@]2(c3cc(C=O)n(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754330 IJ Annotated Anodyne Cc1ccc([C@]2(c3cc(C=O)n(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754332 IJ Annotated Anodyne Cc1ccc([C@]2(c3cc(C=O)n(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754333 IJ Annotated Anodyne Cc1ccc([C@@]2(c3cc(C=O)n(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754335 IJ Annotated Anodyne Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754585 IJ Annotated Anodyne Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754586 IJ Annotated Anodyne Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754587 IJ Annotated Anodyne Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754588 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc3cc([N+](=O)[O-])ccc23)N1 ZINC000587754639 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc3cc([N+](=O)[O-])ccc23)N1 ZINC000587754640 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc3cc([N+](=O)[O-])ccc23)N1 ZINC000587754641 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc3cc([N+](=O)[O-])ccc23)N1 ZINC000587754642 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3nccn3C)cc2)N1 ZINC000587754691 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3nccn3C)cc2)N1 ZINC000587754692 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3nccn3C)cc2)N1 ZINC000587754694 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3nccn3C)cc2)N1 ZINC000587754696 IJ Annotated Anodyne Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754840 IJ Annotated Reactive Cc1ccc([C@]2(/C(C#N)=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754844 IJ Annotated Reactive Cc1ccc([C@]2(/C(C#N)=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754846 IJ Annotated Reactive Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754848 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2C(=O)O)N1 ZINC000587754849 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccc2C(=O)O)N1 ZINC000587754851 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2C(=O)O)N1 ZINC000587754853 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccc2C(=O)O)N1 ZINC000587754855 IJ Annotated Anodyne COCCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(OC)ccc21 ZINC000587754929 IJ Annotated Anodyne COCCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(OC)ccc21 ZINC000587754930 IJ Annotated Anodyne COCCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(OC)ccc21 ZINC000587754931 IJ Annotated Anodyne COCCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(OC)ccc21 ZINC000587754932 IJ Annotated Anodyne COC(=O)c1ccccc1-n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754989 IJ Annotated Anodyne COC(=O)c1ccccc1-n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754990 IJ Annotated Anodyne COC(=O)c1ccccc1-n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754991 IJ Annotated Anodyne COC(=O)c1ccccc1-n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754992 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1-n1cnc(C)c1 ZINC000587755048 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1-n1cnc(C)c1 ZINC000587755050 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1-n1cnc(C)c1 ZINC000587755052 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1-n1cnc(C)c1 ZINC000587755054 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587755189 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587755190 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587755191 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587755192 IJ Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587755354 IJ Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587755356 IJ Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587755361 IJ Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587755363 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2[C@@H](C(=O)O)c2ccccc2)N1 ZINC000587755430 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2[C@@H](C(=O)O)c2ccccc2)N1 ZINC000587755433 IJ Annotated Anodyne Cc1ccc(-n2nnc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587755598 IJ Annotated Anodyne Cc1ccc(-n2nnc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587755601 IJ Annotated Anodyne Cc1ccc(-n2nnc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587755603 IJ Annotated Anodyne Cc1ccc(-n2nnc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587755605 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2[C@H](C(=O)O)c2ccccc2)N1 ZINC000587755677 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2[C@H](C(=O)O)c2ccccc2)N1 ZINC000587755678 IJ Annotated Anodyne CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755734 IJ Annotated Anodyne CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755736 IJ Annotated Anodyne CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755738 IJ Annotated Anodyne CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755740 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587755873 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587755874 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587755875 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587755876 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(C)cn1 ZINC000587755933 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(C)cn1 ZINC000587755934 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(C)cn1 ZINC000587755935 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(C)cn1 ZINC000587755936 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cnn3-c2ccccc2)N1 ZINC000587755943 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cnn3-c2ccccc2)N1 ZINC000587755952 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cnn3-c2ccccc2)N1 ZINC000587755954 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cnn3-c2ccccc2)N1 ZINC000587755956 IJ Annotated Anodyne COCCn1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587755970 IJ Annotated Anodyne COCCn1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587755972 IJ Annotated Anodyne COCCn1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587755974 IJ Annotated Anodyne COCCn1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587755976 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587756034 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587756035 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587756036 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587756038 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1-n1cnc(C)c1 ZINC000587756109 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1-n1cnc(C)c1 ZINC000587756110 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1-n1cnc(C)c1 ZINC000587756112 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1-n1cnc(C)c1 ZINC000587756114 IJ Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587756178 IJ Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587756180 IJ Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587756181 IJ Annotated Anodyne Cc1cnc(O)n1-c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587756183 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc3c(c2)OCO3)N1 ZINC000587756209 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc3c(c2)OCO3)N1 ZINC000587756212 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc3c(c2)OCO3)N1 ZINC000587756213 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc3c(c2)OCO3)N1 ZINC000587756215 IJ Annotated Anodyne CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756262 IJ Annotated Anodyne CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756263 IJ Annotated Anodyne CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756264 IJ Annotated Anodyne CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756265 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(C(=O)O)cc2)N1 ZINC000587756533 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(C(=O)O)cc2)N1 ZINC000587756534 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(C(=O)O)cc2)N1 ZINC000587756536 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(C(=O)O)cc2)N1 ZINC000587756537 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3nccn3C)cc2)N1 ZINC000587756539 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3nccn3C)cc2)N1 ZINC000587756542 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3nccn3C)cc2)N1 ZINC000587756543 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3nccn3C)cc2)N1 ZINC000587756544 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3ccccc3)cn2C)N1 ZINC000587756552 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)c3ccccc3)cn2C)N1 ZINC000587756553 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)c3ccccc3)cn2C)N1 ZINC000587756554 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)c3ccccc3)cn2C)N1 ZINC000587756556 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(C=O)n(C)c2)N1 ZINC000587756575 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(C=O)n(C)c2)N1 ZINC000587756576 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(C=O)n(C)c2)N1 ZINC000587756577 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(C=O)n(C)c2)N1 ZINC000587756578 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587756619 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587756620 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587756621 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)OC(C)(C)C)(c2ccccc2)N1 ZINC000587756622 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc3c(c2)OCO3)N1 ZINC000587756632 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc3c(c2)OCO3)N1 ZINC000587756633 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc3c(c2)OCO3)N1 ZINC000587756635 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc3c(c2)OCO3)N1 ZINC000587756636 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N(C)C)nc3ccccc3c2O)N1 ZINC000587756642 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N(C)C)nc3ccccc3c2O)N1 ZINC000587756644 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N(C)C)nc3ccccc3c2O)N1 ZINC000587756648 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N(C)C)nc3ccccc3c2O)N1 ZINC000587756651 IJ Annotated Anodyne CC(=O)n1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)cnc21 ZINC000587756719 IJ Annotated Anodyne CC(=O)n1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)cnc21 ZINC000587756730 IJ Annotated Anodyne CC(=O)n1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)cnc21 ZINC000587756731 IJ Annotated Anodyne CC(=O)n1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)cnc21 ZINC000587756732 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587756781 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587756782 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587756783 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587756784 IJ Annotated Anodyne COCCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(OC)ccc21 ZINC000587756785 IJ Annotated Anodyne COCCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(OC)ccc21 ZINC000587756786 IJ Annotated Anodyne COCCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(OC)ccc21 ZINC000587756787 IJ Annotated Anodyne COCCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(OC)ccc21 ZINC000587756788 IJ Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cccn1 ZINC000587756841 IJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cccn1 ZINC000587756842 IJ Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cccn1 ZINC000587756843 IJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cccn1 ZINC000587756844 IJ Annotated Anodyne COCCn1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587756869 IJ Annotated Anodyne COCCn1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587756870 IJ Annotated Anodyne COCCn1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587756871 IJ Annotated Anodyne COCCn1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587756872 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3nccn3C)cc2)N1 ZINC000587756926 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3nccn3C)cc2)N1 ZINC000587756929 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3nccn3C)cc2)N1 ZINC000587756931 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3nccn3C)cc2)N1 ZINC000587756933 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccnc1C ZINC000587756948 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccnc1C ZINC000587756951 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccnc1C ZINC000587756953 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1ccnc1C ZINC000587756956 IJ Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756967 IJ Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756968 IJ Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756969 IJ Annotated Anodyne CC(C)NC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756970 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNC(=O)OCc2ccccc2)N1 ZINC000587756991 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNC(=O)OCc2ccccc2)N1 ZINC000587756997 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNC(=O)OCc2ccccc2)N1 ZINC000587756999 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNC(=O)OCc2ccccc2)N1 ZINC000587757000 IJ Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cccn1 ZINC000587757167 IJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cccn1 ZINC000587757169 IJ Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cccn1 ZINC000587757171 IJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cccn1 ZINC000587757172 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N(C)C)nc3ccccc3c2O)N1 ZINC000587757402 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N(C)C)nc3ccccc3c2O)N1 ZINC000587757405 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N(C)C)nc3ccccc3c2O)N1 ZINC000587757408 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N(C)C)nc3ccccc3c2O)N1 ZINC000587757410 IJ Annotated Anodyne Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587757475 IJ Annotated Reactive Cc1ccc([C@]2(/C(C#N)=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587757476 IJ Annotated Reactive Cc1ccc([C@]2(/C(C#N)=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587757477 IJ Annotated Reactive Cc1ccc([C@@]2(/C(C#N)=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587757478 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCN(C)C)c3ccccc23)N1 ZINC000587757507 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCN(C)C)c3ccccc23)N1 ZINC000587757508 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCN(C)C)c3ccccc23)N1 ZINC000587757509 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCN(C)C)c3ccccc23)N1 ZINC000587757510 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nn(-c4ccccc4)cc32)N1 ZINC000587757724 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nn(-c4ccccc4)cc32)N1 ZINC000587757729 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nn(-c4ccccc4)cc32)N1 ZINC000587757733 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nn(-c4ccccc4)cc32)N1 ZINC000587757738 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNC(=O)OCc2ccccc2)N1 ZINC000587758008 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNC(=O)OCc2ccccc2)N1 ZINC000587758009 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNC(=O)OCc2ccccc2)N1 ZINC000587758010 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNC(=O)OCc2ccccc2)N1 ZINC000587758011 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587758200 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587758201 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587758202 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587758203 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC(C)(C)C2)N1 ZINC000587758289 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC(C)(C)C2)N1 ZINC000587758290 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC(C)(C)C2)N1 ZINC000587758291 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC(C)(C)C2)N1 ZINC000587758292 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2C(=O)O)N1 ZINC000587758380 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccc2C(=O)O)N1 ZINC000587758382 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2C(=O)O)N1 ZINC000587758384 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccc2C(=O)O)N1 ZINC000587758387 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nn(-c4ccccc4)cc32)N1 ZINC000587758411 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nn(-c4ccccc4)cc32)N1 ZINC000587758413 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nn(-c4ccccc4)cc32)N1 ZINC000587758415 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nn(-c4ccccc4)cc32)N1 ZINC000587758418 IJ Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(=O)O ZINC000587758430 IJ Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(=O)O ZINC000587758433 IJ Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(=O)O ZINC000587758435 IJ Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(=O)O ZINC000587758437 IJ Annotated Anodyne C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000587758690 IJ Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587758691 IJ Annotated Anodyne C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000587758692 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)N1 ZINC000587758693 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758880 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758882 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758886 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587758889 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)OC(C)(C)C)(C2CCC2)N1 ZINC000587758929 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)OC(C)(C)C)(C2CCC2)N1 ZINC000587758932 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)OC(C)(C)C)(C2CCC2)N1 ZINC000587758936 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)OC(C)(C)C)(C2CCC2)N1 ZINC000587758938 IJ Annotated Anodyne COc1ccc([C@@]2(CCn3ccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587759180 IJ Annotated Anodyne COc1ccc([C@]2(CCn3ccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587759184 IJ Annotated Anodyne COc1ccc([C@@]2(CCn3ccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587759186 IJ Annotated Anodyne COc1ccc([C@]2(CCn3ccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587759188 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(C=O)n(C)c2)N1 ZINC000587759213 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(C=O)n(C)c2)N1 ZINC000587759214 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(C=O)n(C)c2)N1 ZINC000587759215 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(C=O)n(C)c2)N1 ZINC000587759216 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@]2(C)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587759324 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@]2(C)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587759325 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587759326 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587759327 IJ Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759383 IJ Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759384 IJ Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759385 IJ Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759387 IJ Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1ccccc1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759483 IJ Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759485 IJ Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1ccccc1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759487 IJ Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1ccccc1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759489 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCN(C)C)c3ccccc23)N1 ZINC000587759506 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCN(C)C)c3ccccc23)N1 ZINC000587759508 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCN(C)C)c3ccccc23)N1 ZINC000587759510 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCN(C)C)c3ccccc23)N1 ZINC000587759513 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CC(C)(C)C3=O)c2)N1 ZINC000587759628 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CC(C)(C)C3=O)c2)N1 ZINC000587759629 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3CC(C)(C)C3=O)c2)N1 ZINC000587759630 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3CC(C)(C)C3=O)c2)N1 ZINC000587759631 IJ Annotated Anodyne Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759655 IJ Annotated Anodyne Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759657 IJ Annotated Anodyne Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759659 IJ Annotated Anodyne Cc1nn(C(=O)OC(C)(C)C)c(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759661 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587759730 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587759733 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587759735 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cn(CCC(=O)O)c3ccccc23)N1 ZINC000587759737 IJ Annotated Anodyne CC(=O)n1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)cnc21 ZINC000587759775 IJ Annotated Anodyne CC(=O)n1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)cnc21 ZINC000587759776 IJ Annotated Anodyne CC(=O)n1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)cnc21 ZINC000587759779 IJ Annotated Anodyne CC(=O)n1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)cnc21 ZINC000587759782 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587759846 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587759847 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587759848 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587759849 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587759870 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587759871 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587759872 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587759873 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2O)cc1 ZINC000587760049 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2O)cc1 ZINC000587760051 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2O)cc1 ZINC000587760053 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2O)cc1 ZINC000587760054 IJ Annotated Anodyne CCOC(=O)Cn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760055 IJ Annotated Anodyne CCOC(=O)Cn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760056 IJ Annotated Anodyne CCOC(=O)Cn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760058 IJ Annotated Anodyne CCOC(=O)Cn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760060 IJ Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760109 IJ Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760112 IJ Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760114 IJ Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587760116 IJ Annotated Anodyne CCOC(=O)Cn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587760323 IJ Annotated Anodyne CCOC(=O)Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587760324 IJ Annotated Anodyne CCOC(=O)Cn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587760327 IJ Annotated Anodyne CCOC(=O)Cn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587760330 IJ Annotated Anodyne Cc1ccc(-n2nnc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587760643 IJ Annotated Anodyne Cc1ccc(-n2nnc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587760645 IJ Annotated Anodyne Cc1ccc(-n2nnc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587760647 IJ Annotated Anodyne Cc1ccc(-n2nnc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587760650 IJ Annotated Anodyne C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000587761059 IJ Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761060 IJ Annotated Anodyne C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000587761061 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)N1 ZINC000587761062 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587761111 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587761112 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587761113 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587761114 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@]2(C)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761366 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@]2(C)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761367 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761368 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761369 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(C)cn1 ZINC000587761479 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(C)cn1 ZINC000587761480 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(C)cn1 ZINC000587761481 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(C)cn1 ZINC000587761482 IJ Annotated Anodyne COc1ccc(-n2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587761683 IJ Annotated Anodyne COc1ccc(-n2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587761684 IJ Annotated Anodyne COc1ccc(-n2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587761685 IJ Annotated Anodyne COc1ccc(-n2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587761686 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cnn3-c2ccccc2)N1 ZINC000587761723 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cnn3-c2ccccc2)N1 ZINC000587761724 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cnn3-c2ccccc2)N1 ZINC000587761725 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cnn3-c2ccccc2)N1 ZINC000587761726 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)CC2(C)C)N1 ZINC000587761860 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)CC2(C)C)N1 ZINC000587761861 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)CC2(C)C)N1 ZINC000587761863 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)CC2(C)C)N1 ZINC000587761864 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761960 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761961 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761962 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587761963 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC(C)(C)C2)N1 ZINC000587761968 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC(C)(C)C2)N1 ZINC000587761969 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC(C)(C)C2)N1 ZINC000587761970 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC(C)(C)C2)N1 ZINC000587761971 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccccc2)N1 ZINC000587762174 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccccc2)N1 ZINC000587762183 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccccc2)N1 ZINC000587762185 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccccc2)N1 ZINC000587762187 IJ Annotated Mild CC1=C[C@@]2(CC(=O)N1Cc1ccccc1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762428 IJ Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762429 IJ Annotated Anodyne CC1=C[C@@]2(CC(=O)N1Cc1ccccc1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762430 IJ Annotated Anodyne CC1=C[C@]2(CC(=O)N1Cc1ccccc1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762431 IJ Annotated Anodyne COc1ccccc1-c1nn(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762440 IJ Annotated Anodyne COc1ccccc1-c1nn(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762441 IJ Annotated Anodyne COc1ccccc1-c1nn(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762442 IJ Annotated Anodyne COc1ccccc1-c1nn(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762443 IJ Annotated Anodyne COc1ccc(-n2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587762534 IJ Annotated Anodyne COc1ccc(-n2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587762535 IJ Annotated Anodyne COc1ccc(-n2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587762537 IJ Annotated Anodyne COc1ccc(-n2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587762538 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C)N1 ZINC000587762553 IJ Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762555 IJ Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762557 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C)N1 ZINC000587762559 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)CC2(C)C)N1 ZINC000587762614 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)CC2(C)C)N1 ZINC000587762615 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)CC2(C)C)N1 ZINC000587762616 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)CC2(C)C)N1 ZINC000587762617 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587762622 IJ Annotated Anodyne C[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762623 IJ Annotated Anodyne C[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762624 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587762625 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587762855 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587762856 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587762857 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587762858 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCN(C(=O)OCc3ccccc3)C2)N1 ZINC000587762944 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCN(C(=O)OCc3ccccc3)C2)N1 ZINC000587762945 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCN(C(=O)OCc3ccccc3)C2)N1 ZINC000587762946 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCN(C(=O)OCc3ccccc3)C2)N1 ZINC000587762947 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccccc2)N1 ZINC000587763048 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccccc2)N1 ZINC000587763049 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccccc2)N1 ZINC000587763050 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccccc2)N1 ZINC000587763051 IJ Annotated Mild COc1cccc(-n2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 ZINC000587763124 IJ Annotated Anodyne COc1cccc(-n2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 ZINC000587763125 IJ Annotated Anodyne COc1cccc(-n2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 ZINC000587763126 IJ Annotated Anodyne COc1cccc(-n2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 ZINC000587763127 IJ Annotated Anodyne CCn1cc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587763244 IJ Annotated Anodyne CCn1cc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587763245 IJ Annotated Anodyne CCn1cc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587763246 IJ Annotated Anodyne CCn1cc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587763247 IJ Annotated Anodyne COc1cccc(-n2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 ZINC000587763312 IJ Annotated Anodyne COc1cccc(-n2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 ZINC000587763313 IJ Annotated Anodyne COc1cccc(-n2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 ZINC000587763314 IJ Annotated Anodyne COc1cccc(-n2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 ZINC000587763315 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587763350 IJ Annotated Anodyne C[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587763351 IJ Annotated Anodyne C[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587763352 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587763353 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CC(C)(C)C3=O)c2)N1 ZINC000587763378 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CC(C)(C)C3=O)c2)N1 ZINC000587763379 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3CC(C)(C)C3=O)c2)N1 ZINC000587763380 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3CC(C)(C)C3=O)c2)N1 ZINC000587763381 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C)N1 ZINC000587763414 IJ Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763415 IJ Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763416 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2C)N1 ZINC000587763417 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763446 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763447 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763448 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763449 IJ Annotated Anodyne COc1ccccc1-n1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587763452 IJ Annotated Anodyne COc1ccccc1-n1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587763454 IJ Annotated Anodyne COc1ccccc1-n1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587763456 IJ Annotated Anodyne COc1ccccc1-n1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587763458 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763505 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763506 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763508 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763509 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763528 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763530 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763532 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587763535 IJ Annotated Anodyne COc1ccccc1-n1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587763656 IJ Annotated Anodyne COc1ccccc1-n1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587763657 IJ Annotated Anodyne COc1ccccc1-n1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587763658 IJ Annotated Anodyne COc1ccccc1-n1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587763659 IJ Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(C#N)cc1 ZINC000587763784 IJ Annotated Mild Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(C#N)cc1 ZINC000587763785 IJ Annotated Mild Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(C#N)cc1 ZINC000587763786 IJ Annotated Mild Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1-c1ccc(C#N)cc1 ZINC000587763787 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCN2CCCC2)N1 ZINC000587763845 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCN2CCCC2)N1 ZINC000587763847 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCN2CCCC2)N1 ZINC000587763849 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCN2CCCC2)N1 ZINC000587763851 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(CN3CCCCC3)c2)N1 ZINC000587764050 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(CN3CCCCC3)c2)N1 ZINC000587764051 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(CN3CCCCC3)c2)N1 ZINC000587764052 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(CN3CCCCC3)c2)N1 ZINC000587764053 IJ Annotated Clean CCCN1CCN(c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587764054 IJ Annotated Anodyne CCCN1CCN(c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587764055 IJ Annotated Anodyne CCCN1CCN(c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587764056 IJ Annotated Anodyne CCCN1CCN(c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587764057 IJ Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(C#N)cc1 ZINC000587764120 IJ Annotated Mild Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(C#N)cc1 ZINC000587764121 IJ Annotated Mild Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(C#N)cc1 ZINC000587764122 IJ Annotated Mild Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1-c1ccc(C#N)cc1 ZINC000587764123 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 ZINC000587764298 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 ZINC000587764299 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 ZINC000587764300 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 ZINC000587764301 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C)CC3)Oc3ccccc32)N1 ZINC000587764370 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C)CC3)Oc3ccccc32)N1 ZINC000587764371 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C)CC3)Oc3ccccc32)N1 ZINC000587764372 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C)CC3)Oc3ccccc32)N1 ZINC000587764373 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 ZINC000587764602 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 ZINC000587764604 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 ZINC000587764606 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN3CCCC3)c2)N1 ZINC000587764607 IJ Annotated Clean CC(C)CCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587764660 IJ Annotated Anodyne CC(C)CCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587764662 IJ Annotated Anodyne CC(C)CCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587764664 IJ Annotated Anodyne CC(C)CCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587764667 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CC1CCC1)c1ccccc12 ZINC000587764777 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CC1CCC1)c1ccccc12 ZINC000587764780 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CC1CCC1)c1ccccc12 ZINC000587764784 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CC1CCC1)c1ccccc12 ZINC000587764787 IJ Annotated Anodyne CC(C)N1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587764887 IJ Annotated Clean CC(C)N1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587764889 IJ Annotated Clean CC(C)N1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587764891 IJ Annotated Clean CC(C)N1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 ZINC000587764893 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3nc4ccccc4o3)CC2)N1 ZINC000587764919 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3nc4ccccc4o3)CC2)N1 ZINC000587764924 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587764927 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587764929 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587764930 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587764932 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2C)N1 ZINC000587765051 IJ Annotated Anodyne C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765052 IJ Annotated Anodyne C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765053 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2C)N1 ZINC000587765054 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)N1 ZINC000587765148 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)N1 ZINC000587765149 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)N1 ZINC000587765150 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)N1 ZINC000587765151 IJ Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCC1 ZINC000587765323 IJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCC1 ZINC000587765324 IJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCC1 ZINC000587765326 IJ Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCC1 ZINC000587765327 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587765338 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587765341 IJ Annotated Anodyne COc1cccc(CN2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587765347 IJ Annotated Anodyne COc1cccc(CN2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587765365 IJ Annotated Anodyne COc1cccc(CN2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587765408 IJ Annotated Anodyne COc1cccc(CN2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587765411 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(N(C)C)cc3)CC2)N1 ZINC000587765420 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc(N(C)C)cc3)CC2)N1 ZINC000587765423 IJ Annotated Anodyne C[C@H]1CN(c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)O1 ZINC000587765498 IJ Annotated Anodyne C[C@H]1CN(c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)O1 ZINC000587765499 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2C[C@@H](C)O[C@H](C)C2)N1 ZINC000587765500 IJ Annotated Anodyne C[C@H]1CN(c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@H](C)O1 ZINC000587765501 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(N3CCCC3)cc2)N1 ZINC000587765584 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(N3CCCC3)cc2)N1 ZINC000587765585 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(c2ccc(N3CCCC3)cc2)N1 ZINC000587765586 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(c2ccc(N3CCCC3)cc2)N1 ZINC000587765587 IJ Annotated Mild Cc1ccccc1C(=O)N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765729 IJ Annotated Anodyne Cc1ccccc1C(=O)N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587765730 IJ Annotated Anodyne COc1ccc(-n2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587765849 IJ Annotated Anodyne COc1ccc(-n2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587765850 IJ Annotated Anodyne COc1ccc(-n2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587765851 IJ Annotated Anodyne COc1ccc(-n2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587765852 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(N3CCCC3)cc2)N1 ZINC000587765936 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(N3CCCC3)cc2)N1 ZINC000587765937 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(c2ccc(N3CCCC3)cc2)N1 ZINC000587765938 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(c2ccc(N3CCCC3)cc2)N1 ZINC000587765939 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCCCC3)ccc2N)N1 ZINC000587765980 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCCCC3)ccc2N)N1 ZINC000587765981 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCCCC3)ccc2N)N1 ZINC000587765982 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCCCC3)ccc2N)N1 ZINC000587765983 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587766105 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587766106 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587766107 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587766108 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)c3ccccc3)CC2)N1 ZINC000587766153 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)c3ccccc3)CC2)N1 ZINC000587766155 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)c3ccccc3)CC2)N1 ZINC000587766156 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)c3ccccc3)CC2)N1 ZINC000587766157 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)N1 ZINC000587766178 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)N1 ZINC000587766181 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)N1 ZINC000587766188 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)N1 ZINC000587766193 IJ Annotated Anodyne COc1ccccc1-c1nn(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766227 IJ Annotated Anodyne COc1ccccc1-c1nn(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766230 IJ Annotated Anodyne COc1ccccc1-c1nn(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766233 IJ Annotated Anodyne COc1ccccc1-c1nn(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766236 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CCC23CC3)N1 ZINC000587766375 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CCC23CC3)N1 ZINC000587766399 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CCC23CC3)N1 ZINC000587766403 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CCC23CC3)N1 ZINC000587766407 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCN2CCCC2)N1 ZINC000587766443 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCN2CCCC2)N1 ZINC000587766447 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCN2CCCC2)N1 ZINC000587766449 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCN2CCCC2)N1 ZINC000587766462 IJ Annotated Anodyne CCCN1CCN(c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587766475 IJ Annotated Anodyne CCCN1CCN(c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587766476 IJ Annotated Anodyne CCCN1CCN(c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587766477 IJ Annotated Anodyne CCCN1CCN(c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587766478 IJ Annotated Anodyne Cc1ccccc1C(=O)N1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766582 IJ Annotated Anodyne Cc1ccccc1C(=O)N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766584 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587766662 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587766664 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587766668 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587766669 IJ Annotated Anodyne CC(C)N1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587766791 IJ Annotated Anodyne CC(C)N1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587766797 IJ Annotated Anodyne CC(C)N1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587766802 IJ Annotated Anodyne CC(C)N1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587766808 IJ Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 ZINC000587766935 IJ Annotated Clean COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 ZINC000587766936 IJ Annotated Clean COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 ZINC000587766937 IJ Annotated Clean COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 ZINC000587766938 IJ Annotated Clean COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 ZINC000587766943 IJ Annotated Clean COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 ZINC000587766944 IJ Annotated Clean COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 ZINC000587766945 IJ Annotated Clean COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 ZINC000587766946 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 ZINC000587766951 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 ZINC000587766952 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 ZINC000587766953 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 ZINC000587766954 IJ Annotated Clean COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCC1 ZINC000587766955 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCC1 ZINC000587766956 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCC1 ZINC000587766957 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCC1 ZINC000587766958 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 ZINC000587766975 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 ZINC000587766976 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 ZINC000587766977 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCC3)c(N)c2)N1 ZINC000587766978 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587767028 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCCN2C(=O)OC(C)(C)C)N1 ZINC000587767033 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCCCC3)ccc2N)N1 ZINC000587767171 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCCCC3)ccc2N)N1 ZINC000587767173 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCCCC3)ccc2N)N1 ZINC000587767176 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCCCC3)ccc2N)N1 ZINC000587767178 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(N(C)C)cc3)CC2)N1 ZINC000587767216 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc(N(C)C)cc3)CC2)N1 ZINC000587767219 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cnn(C)c3)cc3ccccn23)N1 ZINC000587767342 IJ Annotated Anodyne CC(C)CCN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767344 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cnn(C)c3)cc3ccccn23)N1 ZINC000587767345 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cnn(C)c3)cc3ccccn23)N1 ZINC000587767348 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cnn(C)c3)cc3ccccn23)N1 ZINC000587767350 IJ Annotated Anodyne CC(C)CCN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767351 IJ Annotated Anodyne CC(C)CCN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767357 IJ Annotated Anodyne CC(C)CCN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587767360 IJ Annotated Anodyne CCn1cc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587767388 IJ Annotated Anodyne CCn1cc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587767390 IJ Annotated Anodyne CCn1cc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587767391 IJ Annotated Anodyne CCn1cc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587767393 IJ Annotated Anodyne CC(C)N1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587767487 IJ Annotated Clean CC(C)N1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587767488 IJ Annotated Clean CC(C)N1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587767489 IJ Annotated Clean CC(C)N1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 ZINC000587767490 IJ Annotated Clean COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCC1 ZINC000587767503 IJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCC1 ZINC000587767504 IJ Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCC1 ZINC000587767505 IJ Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CN1CCCC1 ZINC000587767506 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)N(Cc3ccccc3)CC2)N1 ZINC000587767743 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)N1 ZINC000587767744 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)N(Cc3ccccc3)CC2)N1 ZINC000587767746 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)N1 ZINC000587767747 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)OC(C)(C)C)[C@@H]2C)N1 ZINC000587767976 IJ Annotated Anodyne C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767979 IJ Annotated Anodyne C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767981 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)OC(C)(C)C)[C@@H]2C)N1 ZINC000587767984 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3nc4ccccc4o3)CC2)N1 ZINC000587768224 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3nc4ccccc4o3)CC2)N1 ZINC000587768225 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CCC23CC3)N1 ZINC000587768318 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CCC23CC3)N1 ZINC000587768320 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CCC23CC3)N1 ZINC000587768323 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CCC23CC3)N1 ZINC000587768325 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587768452 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587768459 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587768463 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccn2)(c2ccco2)N1 ZINC000587768466 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587768468 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccn2)(c2ccco2)N1 ZINC000587768473 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccn2)(c2ccco2)N1 ZINC000587768476 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccn2)(c2ccco2)N1 ZINC000587768478 IJ Annotated Anodyne CCOC(=O)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nc1C ZINC000587768614 IJ Annotated Anodyne CCOC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nc1C ZINC000587768616 IJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nc1C ZINC000587768617 IJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nc1C ZINC000587768619 IJ Annotated Anodyne C[C@H]1CN(c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)O1 ZINC000587768744 IJ Annotated Anodyne C[C@H]1CN(c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)O1 ZINC000587768747 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2C[C@@H](C)O[C@H](C)C2)N1 ZINC000587768750 IJ Annotated Anodyne C[C@H]1CN(c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@H](C)O1 ZINC000587768754 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCC1 ZINC000587768807 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCC1 ZINC000587768809 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCC1 ZINC000587768812 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CN1CCCC1 ZINC000587768813 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)OC(C)(C)C)[C@@H]2C)N1 ZINC000587769132 IJ Annotated Anodyne C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769133 IJ Annotated Anodyne C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769134 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)OC(C)(C)C)[C@@H]2C)N1 ZINC000587769135 IJ Annotated Anodyne CCOC(=O)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nc1C ZINC000587769368 IJ Annotated Anodyne CCOC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)nc1C ZINC000587769371 IJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)nc1C ZINC000587769374 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(c2ccccn2)N1 ZINC000587769376 IJ Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nc1C ZINC000587769378 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(c2ccccn2)N1 ZINC000587769379 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(c2ccccn2)N1 ZINC000587769382 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(c2ccccn2)N1 ZINC000587769385 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587769405 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587769408 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587769410 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587769413 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587769415 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587769418 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587769420 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587769422 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(=O)O)ccn3)cc2)N1 ZINC000587769497 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(=O)O)ccn3)cc2)N1 ZINC000587769498 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(=O)O)ccn3)cc2)N1 ZINC000587769499 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(=O)O)ccn3)cc2)N1 ZINC000587769500 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587769636 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587769637 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587769638 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587769639 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C)CC3)Oc3ccccc32)N1 ZINC000587769648 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C)CC3)Oc3ccccc32)N1 ZINC000587769649 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C)CC3)Oc3ccccc32)N1 ZINC000587769650 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C)CC3)Oc3ccccc32)N1 ZINC000587769651 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(CN3CCCCC3)c2)N1 ZINC000587769692 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(CN3CCCCC3)c2)N1 ZINC000587769693 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(CN3CCCCC3)c2)N1 ZINC000587769694 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(CN3CCCCC3)c2)N1 ZINC000587769695 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587769827 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587769829 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587769830 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587769832 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587769838 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587769840 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587769842 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587769844 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587769940 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587769942 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587769946 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587769949 IJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769975 IJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587770000 IJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587770005 IJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587770012 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CC1CCC1)c1ccccc12 ZINC000587770115 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CC1CCC1)c1ccccc12 ZINC000587770116 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CC1CCC1)c1ccccc12 ZINC000587770117 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CC1CCC1)c1ccccc12 ZINC000587770118 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587770177 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587770178 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2C)N1 ZINC000587770233 IJ Annotated Anodyne C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770234 IJ Annotated Anodyne C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770235 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2C)N1 ZINC000587770236 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)CC[C@H]2C)N1 ZINC000587770243 IJ Annotated Anodyne C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770244 IJ Annotated Anodyne C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770245 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)CC[C@H]2C)N1 ZINC000587770246 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N(C)C2CCN(C)CC2)N1 ZINC000587770269 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N(C)C2CCN(C)CC2)N1 ZINC000587770270 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N(C)C2CCN(C)CC2)N1 ZINC000587770271 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N(C)C2CCN(C)CC2)N1 ZINC000587770272 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587770273 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587770274 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587770275 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587770276 IJ Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587770279 IJ Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587770280 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587770338 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587770340 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587770342 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587770344 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587770346 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587770347 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587770348 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N1 ZINC000587770349 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccnc3C(=O)O)cc2)N1 ZINC000587770406 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccnc3C(=O)O)cc2)N1 ZINC000587770408 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccnc3C(=O)O)cc2)N1 ZINC000587770410 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccnc3C(=O)O)cc2)N1 ZINC000587770411 IJ Annotated Anodyne COc1cccc([C@@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770537 IJ Annotated Anodyne COc1cccc([C@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770547 IJ Annotated Anodyne COc1cccc([C@@]2(c3cccnc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770548 IJ Annotated Anodyne COc1cccc([C@]2(c3cccnc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587770549 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3cccnc3)cc2)N1 ZINC000587770622 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3cccnc3)cc2)N1 ZINC000587770624 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(=O)c3cccnc3)cc2)N1 ZINC000587770625 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(=O)c3cccnc3)cc2)N1 ZINC000587770627 IJ Annotated Anodyne COc1cccc(-c2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 ZINC000587770632 IJ Annotated Anodyne COc1cccc(-c2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 ZINC000587770635 IJ Annotated Anodyne COc1cccc(-c2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 ZINC000587770636 IJ Annotated Anodyne COc1cccc(-c2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)c1 ZINC000587770638 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(CCOCc3ccccc3)CC2)N1 ZINC000587770747 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(CCOCc3ccccc3)CC2)N1 ZINC000587770748 IJ Annotated Anodyne COc1ccccc1[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770935 IJ Annotated Anodyne COc1ccccc1[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770936 IJ Annotated Anodyne COc1ccccc1[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770937 IJ Annotated Anodyne COc1ccccc1[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770938 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccnc2C(=O)O)N1 ZINC000587770983 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccnc2C(=O)O)N1 ZINC000587770984 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccnc2C(=O)O)N1 ZINC000587770985 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccnc2C(=O)O)N1 ZINC000587770986 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587770992 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587770994 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587770995 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587770997 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587770999 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587771002 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587771050 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587771052 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587771055 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587771056 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587771057 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587771058 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587771070 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587771074 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587771077 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587771080 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N(C)C2CCN(C)CC2)N1 ZINC000587771192 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N(C)C2CCN(C)CC2)N1 ZINC000587771195 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N(C)C2CCN(C)CC2)N1 ZINC000587771198 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N(C)C2CCN(C)CC2)N1 ZINC000587771202 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)CC[C@H]2C)N1 ZINC000587771204 IJ Annotated Anodyne C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771208 IJ Annotated Anodyne C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587771212 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)CC[C@H]2C)N1 ZINC000587771216 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000587771279 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000587771283 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000587771286 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000587771290 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cnn(C)c3)cc3ccccn23)N1 ZINC000587771530 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cnn(C)c3)cc3ccccn23)N1 ZINC000587771531 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cnn(C)c3)cc3ccccn23)N1 ZINC000587771532 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cnn(C)c3)cc3ccccn23)N1 ZINC000587771534 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)N1 ZINC000587771596 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587771597 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)N1 ZINC000587771598 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587771600 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)N(Cc3ccccc3)CC2)N1 ZINC000587771634 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)N1 ZINC000587771635 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)N(Cc3ccccc3)CC2)N1 ZINC000587771636 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)N1 ZINC000587771637 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2ccc3c(c2)CCO3)N1 ZINC000587771639 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2ccc3c(c2)CCO3)N1 ZINC000587771643 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2ccc3c(c2)CCO3)N1 ZINC000587771645 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2ccc3c(c2)CCO3)N1 ZINC000587771647 IJ Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587771663 IJ Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587771665 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587771729 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587771731 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587771733 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C2(C)C)N1 ZINC000587771736 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587771900 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC[C@H]2CN(Cc2ccccc2)C1 ZINC000587771902 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587771903 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC[C@H]2CN(Cc2ccccc2)C1 ZINC000587771904 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587771906 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587771907 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587772127 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587772128 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Oc3ncccn3)c2)N1 ZINC000587772190 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Oc3ncccn3)c2)N1 ZINC000587772192 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(Oc3ncccn3)c2)N1 ZINC000587772194 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(Oc3ncccn3)c2)N1 ZINC000587772196 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(CCOCc3ccccc3)CC2)N1 ZINC000587772218 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(CCOCc3ccccc3)CC2)N1 ZINC000587772221 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587772258 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587772259 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587772260 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587772261 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587772272 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587772273 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587772274 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)N1 ZINC000587772275 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)c3ccccc3)CC2)N1 ZINC000587772318 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)c3ccccc3)CC2)N1 ZINC000587772319 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)c3ccccc3)CC2)N1 ZINC000587772320 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)c3ccccc3)CC2)N1 ZINC000587772321 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587772364 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587772366 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccnc2C(=O)O)N1 ZINC000587772379 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccnc2C(=O)O)N1 ZINC000587772380 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccnc2C(=O)O)N1 ZINC000587772384 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccnc2C(=O)O)N1 ZINC000587772386 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587772399 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(c2ccccn2)N1 ZINC000587772400 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587772402 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(c2ccccn2)N1 ZINC000587772403 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(c2ccccn2)N1 ZINC000587772405 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587772407 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(c2ccccn2)N1 ZINC000587772408 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587772411 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587772463 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587772465 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587772468 IJ Annotated Anodyne CCCCCN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587772470 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587772471 IJ Annotated Anodyne CCCCCN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587772473 IJ Annotated Anodyne CCCCCN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587772478 IJ Annotated Anodyne CCCCCN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587772481 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587772501 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC[C@H]2CN(Cc2ccccc2)C1 ZINC000587772505 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587772507 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC[C@H]2CN(Cc2ccccc2)C1 ZINC000587772511 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587772514 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@@H]2CN(Cc2ccccc2)C1 ZINC000587772518 IJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587772571 IJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587772574 IJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587772578 IJ Annotated Anodyne CCCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587772581 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ncccn3)cc2)N1 ZINC000587772693 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ncccn3)cc2)N1 ZINC000587772694 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ncccn3)cc2)N1 ZINC000587772695 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ncccn3)cc2)N1 ZINC000587772696 IJ Annotated Anodyne COc1ccc(-c2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587772721 IJ Annotated Anodyne COc1ccc(-c2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587772722 IJ Annotated Anodyne COc1ccc(-c2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587772723 IJ Annotated Anodyne COc1ccc(-c2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2)cc1 ZINC000587772724 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cncc(C(=O)O)c3)cc2)N1 ZINC000587772729 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cncc(C(=O)O)c3)cc2)N1 ZINC000587772730 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cncc(C(=O)O)c3)cc2)N1 ZINC000587772731 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cncc(C(=O)O)c3)cc2)N1 ZINC000587772732 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587772777 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587772778 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587772779 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CC[C@H]2N3C(=O)OC(C)(C)C)N1 ZINC000587772780 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587772850 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587772853 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(CO)n3)cc2)N1 ZINC000587772859 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(CO)n3)cc2)N1 ZINC000587772861 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cccc(CO)n3)cc2)N1 ZINC000587772863 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cccc(CO)n3)cc2)N1 ZINC000587772865 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587772926 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587772928 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587772992 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587772993 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587772995 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587772999 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3cccnc3)cc2)N1 ZINC000587773045 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3cccnc3)cc2)N1 ZINC000587773047 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(=O)c3cccnc3)cc2)N1 ZINC000587773048 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(=O)c3cccnc3)cc2)N1 ZINC000587773050 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@]23CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587773148 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@]23CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587773149 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@]23CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587773150 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@]23CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587773151 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587773203 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587773206 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587773208 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587773210 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587773212 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587773216 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587773217 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccn2)(c2ccco2)N1 ZINC000587773237 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccn2)(c2ccco2)N1 ZINC000587773238 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccn2)(c2ccco2)N1 ZINC000587773240 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccn2)(c2ccco2)N1 ZINC000587773241 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)N1 ZINC000587773279 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587773280 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)N1 ZINC000587773285 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@H](C)C2)N1 ZINC000587773289 IJ Annotated Anodyne COc1ccc(-c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587773445 IJ Annotated Anodyne COc1ccc(-c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587773446 IJ Annotated Anodyne COc1ccc(-c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587773447 IJ Annotated Anodyne COc1ccc(-c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)cc1 ZINC000587773449 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nc3ncccn23)N1 ZINC000587773456 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nc3ncccn23)N1 ZINC000587773457 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nc3ncccn23)N1 ZINC000587773459 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nc3ncccn23)N1 ZINC000587773460 IJ Annotated Anodyne CC(C)N1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587773540 IJ Annotated Anodyne CC(C)N1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587773541 IJ Annotated Anodyne CC(C)N1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587773542 IJ Annotated Anodyne CC(C)N1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587773543 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587773545 IJ Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2=O)cc1 ZINC000587773568 IJ Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2=O)cc1 ZINC000587773570 IJ Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2=O)cc1 ZINC000587773572 IJ Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2=O)cc1 ZINC000587773574 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccnc3C(=O)O)cc2)N1 ZINC000587773712 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccnc3C(=O)O)cc2)N1 ZINC000587773713 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccnc3C(=O)O)cc2)N1 ZINC000587773714 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccnc3C(=O)O)cc2)N1 ZINC000587773715 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)N1 ZINC000587773775 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587773777 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587773779 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587773781 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Oc3ncccn3)c2)N1 ZINC000587773848 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Oc3ncccn3)c2)N1 ZINC000587773849 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(Oc3ncccn3)c2)N1 ZINC000587773850 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(Oc3ncccn3)c2)N1 ZINC000587773851 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(=O)O)ccn3)cc2)N1 ZINC000587773956 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(=O)O)ccn3)cc2)N1 ZINC000587773957 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(=O)O)ccn3)cc2)N1 ZINC000587773958 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(=O)O)ccn3)cc2)N1 ZINC000587773959 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2ccc3c(c2)CCO3)N1 ZINC000587774004 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2ccc3c(c2)CCO3)N1 ZINC000587774006 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2ccc3c(c2)CCO3)N1 ZINC000587774008 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2ccc3c(c2)CCO3)N1 ZINC000587774009 IJ Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3cccc1c32 ZINC000587774460 IJ Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3cccc1c32 ZINC000587774461 IJ Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3cccc1c32 ZINC000587774462 IJ Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3cccc1c32 ZINC000587774463 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587774595 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587774598 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587774599 IJ Annotated Anodyne COC(=O)c1ccnc([C@@H]2CCCC[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587774601 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587774850 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587774851 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587774852 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587774853 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587774854 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587774855 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@]23CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587774880 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@]23CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587774881 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@]23CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587774882 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@]23CCN(C(=O)OC(C)(C)C)C3)N1 ZINC000587774883 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587774904 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587774905 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)N1 ZINC000587774906 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)N1 ZINC000587774907 IJ Annotated Anodyne COc1cccc([C@@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587774953 IJ Annotated Anodyne COc1cccc([C@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587774954 IJ Annotated Anodyne COc1cccc([C@@]2(c3cccnc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587774955 IJ Annotated Anodyne COc1cccc([C@]2(c3cccnc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587774956 IJ Annotated Anodyne COc1ccccc1[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775085 IJ Annotated Anodyne COc1ccccc1[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775086 IJ Annotated Anodyne COc1ccccc1[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775087 IJ Annotated Anodyne COc1ccccc1[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775088 IJ Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2=O)cc1 ZINC000587775116 IJ Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2=O)cc1 ZINC000587775117 IJ Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2=O)cc1 ZINC000587775118 IJ Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2=O)cc1 ZINC000587775119 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587775231 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587775233 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587775234 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587775235 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(CO)n3)cc2)N1 ZINC000587775337 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(CO)n3)cc2)N1 ZINC000587775338 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cccc(CO)n3)cc2)N1 ZINC000587775339 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cccc(CO)n3)cc2)N1 ZINC000587775340 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587775451 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587775452 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587775453 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587775454 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587775507 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587775509 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587775511 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587775513 IJ Annotated Anodyne COc1cccc(-c2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 ZINC000587775533 IJ Annotated Anodyne COc1cccc(-c2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 ZINC000587775534 IJ Annotated Anodyne COc1cccc(-c2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 ZINC000587775535 IJ Annotated Anodyne COc1cccc(-c2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2)c1 ZINC000587775536 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ncccn3)cc2)N1 ZINC000587775589 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ncccn3)cc2)N1 ZINC000587775590 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ncccn3)cc2)N1 ZINC000587775591 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ncccn3)cc2)N1 ZINC000587775592 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cncc(C(=O)O)c3)cc2)N1 ZINC000587775661 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cncc(C(=O)O)c3)cc2)N1 ZINC000587775662 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cncc(C(=O)O)c3)cc2)N1 ZINC000587775663 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cncc(C(=O)O)c3)cc2)N1 ZINC000587775664 IJ Annotated Anodyne COc1ccc2nc(OC)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587775820 IJ Annotated Anodyne COc1ccc2nc(OC)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587775823 IJ Annotated Anodyne COc1ccc2nc(OC)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587775826 IJ Annotated Anodyne COc1ccc2nc(OC)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1 ZINC000587775829 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587775862 IJ Annotated Anodyne COc1ccc2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(OC)nc2c1 ZINC000587775865 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587775866 IJ Annotated Anodyne COc1ccc2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(OC)nc2c1 ZINC000587775868 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587775869 IJ Annotated Anodyne COc1ccc2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(OC)nc2c1 ZINC000587775871 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)N1 ZINC000587775873 IJ Annotated Anodyne COc1ccc2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(OC)nc2c1 ZINC000587775874 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)N1 ZINC000587776150 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)N1 ZINC000587776152 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)N1 ZINC000587776155 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)N1 ZINC000587776159 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCN(C(=O)OCc3ccccc3)C2)N1 ZINC000587776179 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCN(C(=O)OCc3ccccc3)C2)N1 ZINC000587776185 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587776235 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587776236 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587776237 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587776239 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)CC23CC3)N1 ZINC000587776243 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)CC23CC3)N1 ZINC000587776244 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)CC23CC3)N1 ZINC000587776245 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)CC23CC3)N1 ZINC000587776246 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)N1 ZINC000587776267 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)N1 ZINC000587776268 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)N1 ZINC000587776269 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)N1 ZINC000587776270 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nc3ncccn23)N1 ZINC000587776340 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nc3ncccn23)N1 ZINC000587776341 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nc3ncccn23)N1 ZINC000587776342 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nc3ncccn23)N1 ZINC000587776343 IJ Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776488 IJ Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776489 IJ Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776490 IJ Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776491 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587776598 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587776601 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587776620 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587776622 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587776625 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)N1 ZINC000587776627 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587776639 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587776641 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587776644 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587776646 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587776648 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)N1 ZINC000587776650 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587776675 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587776676 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587776677 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587776678 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587776679 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587776680 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4cccnc4)ncc32)N1 ZINC000587776836 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4cccnc4)ncc32)N1 ZINC000587776841 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4cccnc4)ncc32)N1 ZINC000587776844 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4cccnc4)ncc32)N1 ZINC000587776846 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587777020 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(CCN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587777021 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587777048 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587777049 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587777050 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC3(CN(C(=O)OC(C)(C)C)C3)C2)N1 ZINC000587777051 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)CC23CC3)N1 ZINC000587777070 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)CC23CC3)N1 ZINC000587777071 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)CC23CC3)N1 ZINC000587777072 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)CC23CC3)N1 ZINC000587777073 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777112 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777113 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777114 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777115 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000587777202 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)N1 ZINC000587777204 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000587777206 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)N1 ZINC000587777209 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777219 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777220 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777221 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777223 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)N1 ZINC000587777225 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587777227 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587777229 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)N1 ZINC000587777232 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777245 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777247 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777249 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777251 IJ Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3cccc1c32 ZINC000587777261 IJ Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3cccc1c32 ZINC000587777262 IJ Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3cccc1c32 ZINC000587777263 IJ Annotated Anodyne CC(=O)N1C[C@@H]2CC[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3cccc1c32 ZINC000587777264 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccccc3c2C(=O)O)N1 ZINC000587777286 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccccc3c2C(=O)O)N1 ZINC000587777287 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccccc3c2C(=O)O)N1 ZINC000587777288 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccccc3c2C(=O)O)N1 ZINC000587777289 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccccc3c2C(=O)O)N1 ZINC000587777290 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccccc3c2C(=O)O)N1 ZINC000587777291 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccccc3c2C(=O)O)N1 ZINC000587777292 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccccc3c2C(=O)O)N1 ZINC000587777293 IJ Annotated Anodyne CC(=O)Oc1cccc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587777294 IJ Annotated Anodyne CC(=O)Oc1cccc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587777295 IJ Annotated Anodyne CC(=O)Oc1cccc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587777296 IJ Annotated Anodyne CC(=O)Oc1cccc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)nc12 ZINC000587777297 IJ Annotated Anodyne COc1ccc2nc(OC)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587777459 IJ Annotated Anodyne COc1ccc2nc(OC)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587777460 IJ Annotated Anodyne COc1ccc2nc(OC)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587777461 IJ Annotated Anodyne COc1ccc2nc(OC)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1 ZINC000587777462 IJ Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587778143 IJ Annotated Anodyne COc1cc(OC)c2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc2c1 ZINC000587778182 IJ Annotated Anodyne COc1cc(OC)c2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc2c1 ZINC000587778183 IJ Annotated Anodyne COc1cc(OC)c2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc2c1 ZINC000587778184 IJ Annotated Anodyne COc1cc(OC)c2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc2c1 ZINC000587778187 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4cccnc4)ncc32)N1 ZINC000587778231 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4cccnc4)ncc32)N1 ZINC000587778233 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4cccnc4)ncc32)N1 ZINC000587778235 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4cccnc4)ncc32)N1 ZINC000587778236 IJ Annotated Anodyne COc1ccc2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(OC)nc2c1 ZINC000587778346 IJ Annotated Anodyne COc1ccc2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(OC)nc2c1 ZINC000587778347 IJ Annotated Anodyne COc1ccc2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(OC)nc2c1 ZINC000587778348 IJ Annotated Anodyne COc1ccc2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(OC)nc2c1 ZINC000587778350 IJ Annotated Anodyne CCCOc1cccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587778450 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@H]2c1ccncc1 ZINC000587778617 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccncc1 ZINC000587778618 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccncc1 ZINC000587778619 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@H]2c1ccncc1 ZINC000587778620 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(OCC)ccc3OCC)nc2c1 ZINC000587778744 IJ Annotated Anodyne CC(=O)Oc1cccc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587778957 IJ Annotated Anodyne CC(=O)Oc1cccc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587778958 IJ Annotated Anodyne CC(=O)Oc1cccc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587778959 IJ Annotated Anodyne CC(=O)Oc1cccc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)nc12 ZINC000587778960 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccncc1 ZINC000587779061 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccncc1 ZINC000587779062 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@H]2c1ccncc1 ZINC000587779063 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@H]2c1ccncc1 ZINC000587779064 IJ Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779525 IJ Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779526 IJ Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779527 IJ Annotated Anodyne Cc1nc2ccccc2c(C(=O)O)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587779528 IJ Annotated Anodyne COc1cc(OC)c2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc2c1 ZINC000587779661 IJ Annotated Anodyne COc1cc(OC)c2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc2c1 ZINC000587779662 IJ Annotated Anodyne COc1cc(OC)c2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc2c1 ZINC000587779663 IJ Annotated Anodyne COc1cc(OC)c2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc2c1 ZINC000587779664 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587780023 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587780024 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587780025 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2ccc(C(=O)O)cc2)N1 ZINC000587780026 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(COC/C=C/c4ccccc4)[nH]c3c2)cc1 ZINC000587780861 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(COC/C=C\c4ccccc4)[nH]c3c2)cc1 ZINC000587780862 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 ZINC000587780870 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 ZINC000587780871 IJ Annotated Anodyne COC(=O)c1cc2nc(CC(=O)OCc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587781007 IJ Annotated Anodyne CCC[C@@H](CC1(c2nc3c(O)nc(S)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781261 IJ Annotated Anodyne CCC[C@H](CC1(c2nc3c(O)nc(S)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781262 IJ Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(C(=O)NN)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781411 IJ Annotated Reactive CCC[C@H](CC1(c2nc3ccc(C(=O)NN)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781412 IJ Annotated Reactive CCC[C@@H](CC1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781462 IJ Annotated Anodyne CCC[C@H](CC1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781463 IJ Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587781845 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CC(=O)OCc5ccccc5)[nH]c4c3)o2)cc1 ZINC000587781855 IJ Annotated Anodyne O=C(Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 ZINC000587782169 IJ Annotated Anodyne O=C(Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)OCc1ccccc1 ZINC000587782350 IJ Annotated Anodyne O=C(Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)OCc1ccccc1 ZINC000587782905 IJ Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587782977 IJ Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587783013 IJ Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(OCc4ccccc4)ccc3O)nc-2[nH]1 ZINC000587783083 IJ Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587783167 IJ Annotated Anodyne N#Cc1nc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2nc1C#N ZINC000587783528 IJ Annotated Mild COC(=O)Cc1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587783552 IJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587783945 IJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 ZINC000587783946 IJ Annotated Anodyne COc1cc(/C=C\c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(O)c1O ZINC000587784618 IJ Annotated Clean COc1cc(/C=C/c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(O)c1O ZINC000587784620 IJ Annotated Clean COC(=O)c1cc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587784676 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4cc(O)c(O)c(OC)c4)[nH]c3c2)cc1 ZINC000587784682 IJ Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4cc(O)c(O)c(OC)c4)[nH]c3c2)cc1 ZINC000587784683 IJ Annotated Clean COc1cc(/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(O)c1O ZINC000587784779 IJ Annotated Clean COc1cc(/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(O)c1O ZINC000587784783 IJ Annotated Clean COc1cc(/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(O)c1O ZINC000587784867 IJ Annotated Clean COc1cc(/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(O)c1O ZINC000587784868 IJ Annotated Clean COc1cc(/C=C\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(O)c1O ZINC000587784950 IJ Annotated Clean COc1cc(/C=C/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(O)c1O ZINC000587784951 IJ Annotated Clean COc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(O)c1O ZINC000587784961 IJ Annotated Clean COc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(O)c1O ZINC000587784963 IJ Annotated Clean COc1cc(/C=C\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(O)c1O ZINC000587784971 IJ Annotated Clean COc1cc(/C=C/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(O)c1O ZINC000587784973 IJ Annotated Clean COC(=O)c1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587784999 IJ Annotated Clean COC(=O)c1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587785000 IJ Annotated Clean COc1cc(/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)cc(O)c1O ZINC000587785260 IJ Annotated Clean COc1cc(/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)cc(O)c1O ZINC000587785262 IJ Annotated Clean COc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(OC)c1O ZINC000587785293 IJ Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)c1OC ZINC000587785529 IJ Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1OC ZINC000587785613 IJ Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)c1OC ZINC000587785621 IJ Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)c1OC ZINC000587785714 IJ Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(OC)c1O ZINC000587785950 IJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(C)cc2[nH]1 ZINC000587786101 IJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(C)nc(C)cc2[nH]1 ZINC000587786154 IJ Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(O)c1O ZINC000587786213 IJ Annotated Clean COc1cc(/C=C/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(O)c1O ZINC000587786217 IJ Annotated Clean COc1ccc(C=O)c(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)c1OC ZINC000587786248 IJ Annotated Anodyne COC(=O)c1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2c(F)c1Nc1ccccc1 ZINC000587786588 IJ Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1OC ZINC000587786598 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCC(=O)c3cc(C)ccc3OC)nc2c1 ZINC000587786649 IJ Annotated Anodyne COc1ccc(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)cc1O ZINC000587786695 IJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(C)c2[nH]1 ZINC000587786777 IJ Annotated Anodyne COc1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(OC)c1O ZINC000587786805 IJ Annotated Anodyne COc1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(O)c1O ZINC000587787085 IJ Annotated Clean COc1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(O)c1O ZINC000587787087 IJ Annotated Clean COc1ccc(C=O)c(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)c1OC ZINC000587787203 IJ Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(I)cnc4[nH]3)c2)cc1O ZINC000587787585 IJ Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)c1OC ZINC000587787603 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(C=O)ccc5OC)[nH]c4c3)o2)cc1 ZINC000587787626 IJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(F)cc2[nH]1 ZINC000587787630 IJ Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)c1OC ZINC000587787700 IJ Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)c1OC ZINC000587787723 IJ Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(F)c2[nH]1 ZINC000587788255 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788752 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788753 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788754 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788755 IJ Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788962 IJ Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788966 IJ Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788968 IJ Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788969 IJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789331 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789332 IJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789333 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789334 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587789529 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587789531 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587789533 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587789535 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)C(=O)Nc2ccccc23)N1 ZINC000587789591 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)C(=O)Nc2ccccc23)N1 ZINC000587789593 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(-c3ccccc3)cc12 ZINC000587789667 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(-c3ccccc3)cc12 ZINC000587789671 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(-c3ccccc3)cc12 ZINC000587789675 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(-c3ccccc3)cc12 ZINC000587789677 IJ Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789845 IJ Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789862 IJ Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789867 IJ Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789871 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c4c(c2O)CCCN4CCC3)N1 ZINC000587789874 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c4c(c2O)CCCN4CCC3)N1 ZINC000587789877 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c4c(c2O)CCCN4CCC3)N1 ZINC000587789880 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c4c(c2O)CCCN4CCC3)N1 ZINC000587789883 IJ Annotated Clean CCCCOC1=C(OCCCC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587790015 IJ Annotated Mild CCCCOC1=C(OCCCC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587790018 IJ Annotated Mild CCCCOC1=C(OCCCC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587790020 IJ Annotated Mild CCCCOC1=C(OCCCC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587790022 IJ Annotated Mild CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790106 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790107 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790108 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790110 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCCC(=O)O)cc2)N1 ZINC000587790259 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCCC(=O)O)cc2)N1 ZINC000587790260 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCCC(=O)O)cc2)N1 ZINC000587790261 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCCC(=O)O)cc2)N1 ZINC000587790262 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587790635 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587790636 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587790637 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587790638 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)N1 ZINC000587790863 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)N1 ZINC000587790864 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)N1 ZINC000587790865 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)N1 ZINC000587790866 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)C(=O)Nc2ccccc23)N1 ZINC000587791181 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)C(=O)Nc2ccccc23)N1 ZINC000587791183 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc(C(=O)O)cc2)(C2CC2)N1 ZINC000587791203 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc(C(=O)O)cc2)(C2CC2)N1 ZINC000587791204 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc(C(=O)O)cc2)(C2CC2)N1 ZINC000587791205 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc(C(=O)O)cc2)(C2CC2)N1 ZINC000587791206 IJ Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791287 IJ Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791288 IJ Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791289 IJ Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791290 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C(=O)O)c2)(C2CCCCC2)N1 ZINC000587791300 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C(=O)O)c2)(C2CCCCC2)N1 ZINC000587791301 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C(=O)O)c2)(C2CCCCC2)N1 ZINC000587791302 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C(=O)O)c2)(C2CCCCC2)N1 ZINC000587791303 IJ Annotated Anodyne COc1ccc(OC)c(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587791679 IJ Annotated Anodyne COc1ccc(OC)c(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587791681 IJ Annotated Anodyne COc1ccc(OC)c(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587791683 IJ Annotated Anodyne COc1ccc(OC)c(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587791685 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C(=O)c2ccccc2)c2ncc[nH]2)N1 ZINC000587791698 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C(=O)c2ccccc2)c2ncc[nH]2)N1 ZINC000587791699 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C(=O)c2ccccc2)c2ncc[nH]2)N1 ZINC000587791702 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C(=O)c2ccccc2)c2ncc[nH]2)N1 ZINC000587791704 IJ Annotated Anodyne COc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587791781 IJ Annotated Anodyne COc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587791786 IJ Annotated Anodyne COc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587791788 IJ Annotated Anodyne COc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587791791 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OCC(=O)O)ccc3ccccc23)N1 ZINC000587791887 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OCC(=O)O)ccc3ccccc23)N1 ZINC000587791888 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OCC(=O)O)ccc3ccccc23)N1 ZINC000587791889 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OCC(=O)O)ccc3ccccc23)N1 ZINC000587791890 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(c3cc[nH]c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791975 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(c3cc[nH]c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791976 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(c3cc[nH]c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791977 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(c3cc[nH]c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791978 IJ Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792004 IJ Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792005 IJ Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792006 IJ Annotated Anodyne Cc1c(C(=O)O)[nH]c2c1[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792007 IJ Annotated Anodyne COC(C)(Cc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587792114 IJ Annotated Anodyne COC(C)(Cc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587792116 IJ Annotated Anodyne COC(C)(Cc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587792118 IJ Annotated Anodyne COC(C)(Cc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587792120 IJ Annotated Anodyne COCCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587792411 IJ Annotated Anodyne COCCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587792414 IJ Annotated Anodyne COCCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587792415 IJ Annotated Anodyne COCCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587792416 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(c3cc[nH]c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792523 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(c3cc[nH]c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792524 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(c3cc[nH]c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792525 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(c3cc[nH]c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587792526 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792584 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792586 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792588 IJ Annotated Anodyne CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792590 IJ Annotated Anodyne COCCCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587792828 IJ Annotated Anodyne COCCCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587792829 IJ Annotated Anodyne COCCCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587792831 IJ Annotated Anodyne COCCCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587792833 IJ Annotated Anodyne CCCCOC1=C(OCCCC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587792836 IJ Annotated Mild CCCCOC1=C(OCCCC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587792839 IJ Annotated Mild CCCCOC1=C(OCCCC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587792841 IJ Annotated Mild CCCCOC1=C(OCCCC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587792845 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587792903 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587792910 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587792912 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587792915 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCCC(=O)O)cc2)N1 ZINC000587792991 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCCC(=O)O)cc2)N1 ZINC000587792994 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCCC(=O)O)cc2)N1 ZINC000587792996 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCCC(=O)O)cc2)N1 ZINC000587792999 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587793393 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587793394 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587793395 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587793396 IJ Annotated Anodyne CC(C)OC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587793496 IJ Annotated Anodyne CC(C)OC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587793497 IJ Annotated Anodyne CC(C)OC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587793498 IJ Annotated Anodyne CC(C)OC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587793499 IJ Annotated Anodyne COCCCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587793536 IJ Annotated Anodyne COCCCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587793537 IJ Annotated Anodyne COCCCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587793538 IJ Annotated Anodyne COCCCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587793539 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c4c(c2O)CCCN4CCC3)N1 ZINC000587793656 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c4c(c2O)CCCN4CCC3)N1 ZINC000587793657 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c4c(c2O)CCCN4CCC3)N1 ZINC000587793659 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c4c(c2O)CCCN4CCC3)N1 ZINC000587793661 IJ Annotated Clean COc1ccc(OC)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1OC ZINC000587793836 IJ Annotated Anodyne CCOC(=O)/C(=C\c1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793976 IJ Annotated Anodyne CCOC(=O)/C(=C/c1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793980 IJ Annotated Anodyne CCOC(=O)/C(=C\c1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793983 IJ Annotated Anodyne CCOC(=O)/C(=C/c1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793985 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C(=O)O)c2)(C2CCCCC2)N1 ZINC000587794025 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C(=O)O)c2)(C2CCCCC2)N1 ZINC000587794028 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C(=O)O)c2)(C2CCCCC2)N1 ZINC000587794030 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C(=O)O)c2)(C2CCCCC2)N1 ZINC000587794032 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794069 IJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794071 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794074 IJ Annotated Anodyne CCOC(=O)[C@]1(c2c(C)[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794076 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)N1 ZINC000587794130 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)N1 ZINC000587794132 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)N1 ZINC000587794135 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ncc(-c3ccco3)[nH]2)(c2ccco2)N1 ZINC000587794139 IJ Annotated Anodyne COC(=O)c1cc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587794194 IJ Annotated Anodyne CC(C)OC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794195 IJ Annotated Anodyne CC(C)OC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794196 IJ Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587794197 IJ Annotated Anodyne CC(C)OC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794199 IJ Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587794200 IJ Annotated Anodyne CC(C)OC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587794201 IJ Annotated Anodyne COC(=O)c1cc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587794203 IJ Annotated Anodyne COCCOCCCc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587794222 IJ Annotated Anodyne COCCOCCCc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587794224 IJ Annotated Anodyne COCCOCCCc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587794226 IJ Annotated Anodyne COCCOCCCc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587794227 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(-c3ccccc3)cc12 ZINC000587794304 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(-c3ccccc3)cc12 ZINC000587794305 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(-c3ccccc3)cc12 ZINC000587794306 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(-c3ccccc3)cc12 ZINC000587794307 IJ Annotated Anodyne C#CCOc1c(CC=C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587794758 IJ Annotated Mild C#CCOc1c(CC=C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587794765 IJ Annotated Mild C#CCOc1c(CC=C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587794769 IJ Annotated Mild C#CCOc1c(CC=C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587794770 IJ Annotated Mild CCOC(=O)[C@H](Cc1ccccc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794781 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794783 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794784 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794785 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1NC(=O)c1ccccc12 ZINC000587794978 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1NC(=O)c1ccccc12 ZINC000587794979 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1NC(=O)c1ccccc12 ZINC000587794981 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1NC(=O)c1ccccc12 ZINC000587794982 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)([C@H]2CCCNC2)N1 ZINC000587795050 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)([C@@H]2CCCNC2)N1 ZINC000587795063 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)([C@H]2CCCNC2)N1 ZINC000587795066 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)([C@@H]2CCCNC2)N1 ZINC000587795069 IJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795212 IJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795216 IJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795218 IJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795220 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(OCC(=O)O)ccc3ccccc23)N1 ZINC000587795257 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(OCC(=O)O)ccc3ccccc23)N1 ZINC000587795261 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(OCC(=O)O)ccc3ccccc23)N1 ZINC000587795264 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(OCC(=O)O)ccc3ccccc23)N1 ZINC000587795268 IJ Annotated Anodyne CCOC(=O)C[C@@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795357 IJ Annotated Anodyne CCOC(=O)C[C@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795366 IJ Annotated Anodyne CCOC(=O)C[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795368 IJ Annotated Anodyne CCOC(=O)C[C@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795369 IJ Annotated Anodyne CCOC(=O)Cc1cccc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795394 IJ Annotated Anodyne CCOC(=O)Cc1cccc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795395 IJ Annotated Anodyne CCOC(=O)Cc1cccc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795396 IJ Annotated Anodyne CCOC(=O)Cc1cccc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587795397 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795424 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795426 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795428 IJ Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795430 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1NC(=O)c1ccccc12 ZINC000587795644 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1NC(=O)c1ccccc12 ZINC000587795645 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1NC(=O)c1ccccc12 ZINC000587795646 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1NC(=O)c1ccccc12 ZINC000587795647 IJ Annotated Anodyne COC(=O)c1cc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587795864 IJ Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587795867 IJ Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587795870 IJ Annotated Anodyne COC(=O)c1cc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587795874 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)([C@H]2CCCNC2)N1 ZINC000587795936 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)([C@@H]2CCCNC2)N1 ZINC000587795939 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)([C@H]2CCCNC2)N1 ZINC000587795942 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)([C@@H]2CCCNC2)N1 ZINC000587795946 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C(=O)c2ccccc2)c2ncc[nH]2)N1 ZINC000587795955 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C(=O)c2ccccc2)c2ncc[nH]2)N1 ZINC000587795957 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C(=O)c2ccccc2)c2ncc[nH]2)N1 ZINC000587795960 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C(=O)c2ccccc2)c2ncc[nH]2)N1 ZINC000587795962 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587795965 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587795968 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587795971 IJ Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587795974 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(C=O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795989 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(C=O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795992 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(C=O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795995 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(C=O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795996 IJ Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796473 IJ Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796480 IJ Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796481 IJ Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796482 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587796650 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587796651 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587796652 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3[nH]nc(Nc4ccccc4)c32)N1 ZINC000587796653 IJ Annotated Anodyne C#CCOc1c(CC=C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587796696 IJ Annotated Mild C#CCOc1c(CC=C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587796697 IJ Annotated Mild C#CCOc1c(CC=C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587796698 IJ Annotated Mild C#CCOc1c(CC=C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587796699 IJ Annotated Mild COc1ccc(OC)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1OC ZINC000587796792 IJ Annotated Anodyne Cc1ccc(-c2noc(C[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587796842 IJ Annotated Anodyne Cc1ccc(-c2noc(C[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587796847 IJ Annotated Anodyne Cc1ccc(-c2noc(C[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587796848 IJ Annotated Anodyne Cc1ccc(-c2noc(C[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1 ZINC000587796849 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797122 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797123 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797124 IJ Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797125 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797140 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797142 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797143 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797146 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc(C(=O)O)cc2)(C2CC2)N1 ZINC000587797252 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc(C(=O)O)cc2)(C2CC2)N1 ZINC000587797255 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc(C(=O)O)cc2)(C2CC2)N1 ZINC000587797257 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc(C(=O)O)cc2)(C2CC2)N1 ZINC000587797259 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCCCC(=O)O)c2)N1 ZINC000587797548 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCCCC(=O)O)c2)N1 ZINC000587797549 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCCCC(=O)O)c2)N1 ZINC000587797550 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCCCC(=O)O)c2)N1 ZINC000587797551 IJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797665 IJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797667 IJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797668 IJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797669 IJ Annotated Anodyne CCOC(=O)C[C@@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797707 IJ Annotated Anodyne CCOC(=O)C[C@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797708 IJ Annotated Anodyne CCOC(=O)C[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797709 IJ Annotated Anodyne CCOC(=O)C[C@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797710 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=Nc4ccc(O)cc4OC3=C2)N1 ZINC000587797749 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=Nc4ccc(O)cc4OC3=C2)N1 ZINC000587797750 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=Nc4ccc(O)cc4OC3=C2)N1 ZINC000587797751 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=Nc4ccc(O)cc4OC3=C2)N1 ZINC000587797752 IJ Annotated Anodyne Cc1ccc(-c2noc(C[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587797790 IJ Annotated Anodyne Cc1ccc(-c2noc(C[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587797791 IJ Annotated Anodyne Cc1ccc(-c2noc(C[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587797792 IJ Annotated Anodyne Cc1ccc(-c2noc(C[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1 ZINC000587797793 IJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798105 IJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798108 IJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798110 IJ Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587798114 IJ Annotated Anodyne CCOC(=O)Cc1cccc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798196 IJ Annotated Anodyne CCOC(=O)Cc1cccc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798197 IJ Annotated Anodyne CCOC(=O)Cc1cccc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798198 IJ Annotated Anodyne CCOC(=O)Cc1cccc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798199 IJ Annotated Anodyne COC(C)(Cc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587798244 IJ Annotated Anodyne COC(C)(Cc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587798245 IJ Annotated Anodyne COC(C)(Cc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587798246 IJ Annotated Anodyne COC(C)(Cc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587798247 IJ Annotated Anodyne COc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587798328 IJ Annotated Anodyne COc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587798329 IJ Annotated Anodyne COc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587798330 IJ Annotated Anodyne COc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587798331 IJ Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798364 IJ Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798365 IJ Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798366 IJ Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798367 IJ Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798376 IJ Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798377 IJ Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798378 IJ Annotated Anodyne Cc1nn2c3ccccc3n(C)c2c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798379 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCCCC(=O)O)c2)N1 ZINC000587798448 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCCCC(=O)O)c2)N1 ZINC000587798449 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCCCC(=O)O)c2)N1 ZINC000587798450 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCCCC(=O)O)c2)N1 ZINC000587798451 IJ Annotated Anodyne COc1ccc(OC)c(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798714 IJ Annotated Anodyne COc1ccc(OC)c(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798715 IJ Annotated Anodyne COc1ccc(OC)c(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798716 IJ Annotated Anodyne COc1ccc(OC)c(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798717 IJ Annotated Anodyne COCCOCCCc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798738 IJ Annotated Anodyne COCCOCCCc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798739 IJ Annotated Anodyne COCCOCCCc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798740 IJ Annotated Anodyne COCCOCCCc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798742 IJ Annotated Anodyne COCCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587798836 IJ Annotated Anodyne COCCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587798838 IJ Annotated Anodyne COCCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587798840 IJ Annotated Anodyne COCCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587798842 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=Nc4ccc(O)cc4OC3=C2)N1 ZINC000587798845 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=Nc4ccc(O)cc4OC3=C2)N1 ZINC000587798848 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=Nc4ccc(O)cc4OC3=C2)N1 ZINC000587798850 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=Nc4ccc(O)cc4OC3=C2)N1 ZINC000587798853 IJ Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798858 IJ Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798860 IJ Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798863 IJ Annotated Anodyne Cc1ccc(OCC(=O)O)c2c1[C@H](C)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798865 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798920 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798921 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798922 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798923 IJ Annotated Anodyne CCOC(=O)CCC(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798974 IJ Annotated Anodyne CCOC(=O)CCC(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798975 IJ Annotated Anodyne CCOC(=O)CCC(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798976 IJ Annotated Anodyne CCOC(=O)CCC(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587798977 IJ Annotated Anodyne CCOC(=O)CCC(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799010 IJ Annotated Anodyne CCOC(=O)CCC(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799011 IJ Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799192 IJ Annotated Anodyne CCOC(=O)CCC(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799193 IJ Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799194 IJ Annotated Anodyne CCOc1ccc(C(=O)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799195 IJ Annotated Anodyne CCOc1ccc(C(=O)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587799196 IJ Annotated Anodyne CCOC(=O)CCC(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587799197 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799199 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799203 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799204 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799206 IJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799338 IJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799340 IJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799341 IJ Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799342 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799584 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799585 IJ Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cccc(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799586 IJ Annotated Anodyne CCOC(=O)C[C@]1(Cc2cccc(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799587 IJ Annotated Anodyne CCOC(=O)/C(=C\c1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799596 IJ Annotated Anodyne CCOC(=O)/C(=C/c1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799597 IJ Annotated Anodyne CCOC(=O)/C(=C\c1ccccc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799598 IJ Annotated Anodyne CCOC(=O)/C(=C/c1ccccc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799599 IJ Annotated Anodyne COc1ccc2[nH]cc([C@]3(CC#N)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587800188 IJ Annotated Mild COc1ccc2[nH]cc([C@@]3(CC#N)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587800191 IJ Annotated Mild COc1ccc2[nH]cc([C@]3(CC#N)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587800195 IJ Annotated Mild COc1ccc2[nH]cc([C@@]3(CC#N)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587800198 IJ Annotated Mild COc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587800518 IJ Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587800519 IJ Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587800520 IJ Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587800521 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800627 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800629 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800631 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800633 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(C=O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800745 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(C=O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800747 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(C=O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800749 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(C=O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800751 IJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800887 IJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800889 IJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800891 IJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587800892 IJ Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587801015 IJ Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587801016 IJ Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587801017 IJ Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587801018 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801051 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2c[nH]c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801052 IJ Annotated Anodyne CCOC(=O)C[C@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801053 IJ Annotated Anodyne CCOC(=O)C[C@@]1(c2c[nH]c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587801054 IJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801185 IJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801186 IJ Annotated Anodyne CCOc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801187 IJ Annotated Anodyne CCOc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587801188 IJ Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587801275 IJ Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587801276 IJ Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587801277 IJ Annotated Anodyne COC(=O)c1ccc2[nH]cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587801278 IJ Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)CC ZINC000587801325 IJ Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)CC ZINC000587801326 IJ Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)CC ZINC000587801327 IJ Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)CC ZINC000587801328 IJ Annotated Anodyne CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COC(C)=O ZINC000587801639 IJ Annotated Anodyne CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COC(C)=O ZINC000587801640 IJ Annotated Anodyne CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COC(C)=O ZINC000587801642 IJ Annotated Anodyne CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COC(C)=O ZINC000587801643 IJ Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587801813 IJ Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587801814 IJ Annotated Anodyne CCOc1ccc(C(=O)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587801815 IJ Annotated Anodyne CCOc1ccc(C(=O)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587801816 IJ Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)CC ZINC000587801873 IJ Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)CC ZINC000587801874 IJ Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)CC ZINC000587801875 IJ Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)CC ZINC000587801876 IJ Annotated Anodyne CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COC(C)=O ZINC000587802077 IJ Annotated Anodyne CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COC(C)=O ZINC000587802078 IJ Annotated Anodyne CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COC(C)=O ZINC000587802079 IJ Annotated Anodyne CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COC(C)=O ZINC000587802080 IJ Annotated Anodyne COC(=O)c1ccc2c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 ZINC000587802119 IJ Annotated Anodyne COC(=O)c1ccc2c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 ZINC000587802120 IJ Annotated Anodyne COC(=O)c1ccc2c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 ZINC000587802121 IJ Annotated Anodyne COC(=O)c1ccc2c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c2c1 ZINC000587802122 IJ Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587802543 IJ Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587802544 IJ Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587802545 IJ Annotated Anodyne COc1ccc(-c2n[nH]cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587802546 IJ Annotated Anodyne COc1ccc2[nH]cc([C@@]3(CC#N)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587802860 IJ Annotated Mild COc1ccc2[nH]cc([C@]3(CC#N)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587802865 IJ Annotated Mild COc1ccc2[nH]cc([C@@]3(CC#N)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587802866 IJ Annotated Mild COc1ccc2[nH]cc([C@]3(CC#N)N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587802867 IJ Annotated Mild COc1cc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587804082 IJ Annotated Anodyne COc1cc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587804084 IJ Annotated Anodyne COc1cc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587804086 IJ Annotated Anodyne COc1cc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587804087 IJ Annotated Anodyne COC(=O)c1ccc2c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 ZINC000587804089 IJ Annotated Anodyne COC(=O)c1ccc2c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 ZINC000587804092 IJ Annotated Anodyne COC(=O)c1ccc2c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 ZINC000587804095 IJ Annotated Anodyne COC(=O)c1ccc2c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c2c1 ZINC000587804096 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)C(C)C ZINC000587804120 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)C(C)C ZINC000587804121 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)C(C)C ZINC000587804122 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)C(C)C ZINC000587804123 IJ Annotated Anodyne COc1ccccc1[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804181 IJ Annotated Anodyne COc1ccccc1[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804187 IJ Annotated Anodyne COc1ccccc1[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804189 IJ Annotated Anodyne COc1ccccc1[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804191 IJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587804389 IJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587804392 IJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587804554 IJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587804556 IJ Annotated Anodyne COc1cccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587804792 IJ Annotated Anodyne COc1cccc([C@@H]2CC(=O)C[C@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587804794 IJ Annotated Anodyne COc1cccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587804797 IJ Annotated Anodyne COc1cccc([C@@H]2CC(=O)C[C@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587804800 IJ Annotated Anodyne COC(=O)C[C@@]1(c2c(C)cc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804816 IJ Annotated Anodyne COC(=O)C[C@]1(c2c(C)cc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804819 IJ Annotated Anodyne COC(=O)C[C@@]1(c2c(C)cc(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804821 IJ Annotated Anodyne COC(=O)C[C@]1(c2c(C)cc(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804822 IJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587805083 IJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587805084 IJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587805085 IJ Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@]3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587805087 IJ Annotated Anodyne COc1ccc(C)cc1[C@@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805239 IJ Annotated Anodyne COc1ccc(C)cc1[C@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805243 IJ Annotated Anodyne COc1ccc(C)cc1[C@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805244 IJ Annotated Anodyne COc1ccc(C)cc1[C@@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805246 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805977 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805979 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805980 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805982 IJ Annotated Anodyne COc1cccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587806288 IJ Annotated Anodyne COc1cccc([C@@H]2CC(=O)C[C@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587806289 IJ Annotated Anodyne COc1cccc([C@@H]2CC(=O)C[C@@]3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587806290 IJ Annotated Anodyne COc1cccc([C@@H]2CC(=O)C[C@]3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587806291 IJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806827 IJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806828 IJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806829 IJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806830 IJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806883 IJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806886 IJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@@]1(CC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806890 IJ Annotated Anodyne COc1ccc2[nH]c3c(c2c1)C[C@]1(CC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806894 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)C1CC1 ZINC000587807317 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)C1CC1 ZINC000587807318 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)C1CC1 ZINC000587807319 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)C1CC1 ZINC000587807320 IJ Annotated Anodyne COc1ccc(C)cc1[C@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807407 IJ Annotated Anodyne COc1ccc(C)cc1[C@@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807409 IJ Annotated Anodyne COc1ccc(C)cc1[C@@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807411 IJ Annotated Anodyne COc1ccc(C)cc1[C@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807413 IJ Annotated Anodyne COc1cc(OC)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)=O ZINC000587807868 IJ Annotated Anodyne COc1cc(OC)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)=O ZINC000587807869 IJ Annotated Anodyne COc1cc(OC)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)=O ZINC000587807870 IJ Annotated Anodyne COc1cc(OC)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)=O ZINC000587807871 IJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808052 IJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808053 IJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808054 IJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808055 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808159 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808162 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808164 IJ Annotated Anodyne COC(=O)c1ccc2c(c1)CCCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808166 IJ Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808697 IJ Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808700 IJ Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808703 IJ Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808705 IJ Annotated Anodyne COc1cc(OC)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)=O ZINC000587808854 IJ Annotated Anodyne COc1cc(OC)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)=O ZINC000587808855 IJ Annotated Anodyne COc1cc(OC)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)=O ZINC000587808856 IJ Annotated Anodyne COc1cc(OC)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)=O ZINC000587808857 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)C(C)C ZINC000587808890 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)C(C)C ZINC000587808891 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)C(C)C ZINC000587808892 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)C(C)C ZINC000587808893 IJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808954 IJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808955 IJ Annotated Anodyne COc1ccc([C@@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808956 IJ Annotated Anodyne COc1ccc([C@]2(CCCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587808957 IJ Annotated Anodyne COc1ccccc1[C@@H]1CC(=O)C[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809421 IJ Annotated Anodyne COc1ccccc1[C@@H]1CC(=O)C[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809424 IJ Annotated Anodyne COc1ccccc1[C@@H]1CC(=O)C[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809427 IJ Annotated Anodyne COc1ccccc1[C@@H]1CC(=O)C[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809430 IJ Annotated Anodyne COc1cc(/C=C/[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)=O ZINC000587809676 IJ Annotated Anodyne COc1cc(/C=C/[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)=O ZINC000587809680 IJ Annotated Anodyne COc1cc(/C=C/[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)=O ZINC000587809683 IJ Annotated Anodyne COc1cc(/C=C/[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)=O ZINC000587809688 IJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587809864 IJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587809873 IJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587809875 IJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587809876 IJ Annotated Anodyne COc1cc(/C=C/[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)=O ZINC000587809964 IJ Annotated Anodyne COc1cc(/C=C/[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)=O ZINC000587809967 IJ Annotated Anodyne COc1cc(/C=C/[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)=O ZINC000587809970 IJ Annotated Anodyne COc1cc(/C=C/[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)=O ZINC000587809974 IJ Annotated Anodyne COc1cc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587810003 IJ Annotated Anodyne COc1cc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587810006 IJ Annotated Anodyne COc1cc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587810010 IJ Annotated Anodyne COc1cc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587810014 IJ Annotated Anodyne COC(=O)C[C@]1(c2c(C)cc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810018 IJ Annotated Anodyne COC(=O)C[C@@]1(c2c(C)cc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810022 IJ Annotated Anodyne COC(=O)C[C@]1(c2c(C)cc(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810024 IJ Annotated Anodyne COC(=O)C[C@@]1(c2c(C)cc(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810028 IJ Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810332 IJ Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810333 IJ Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810334 IJ Annotated Anodyne COc1cc(OC)c(OC)cc1C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810335 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)C1CC1 ZINC000587811399 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)C1CC1 ZINC000587811400 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)C1CC1 ZINC000587811401 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)C1CC1 ZINC000587811402 IJ Annotated Anodyne CC[C@@]1(CC(=O)Oc2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811561 IJ Annotated Anodyne CC[C@]1(CC(=O)Oc2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811563 IJ Annotated Anodyne CC[C@]1(CC(=O)Oc2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811565 IJ Annotated Anodyne CC[C@@]1(CC(=O)Oc2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811567 IJ Annotated Anodyne CC[C@@]1(CC(=O)Oc2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811884 IJ Annotated Anodyne CC[C@]1(CC(=O)Oc2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811886 IJ Annotated Anodyne CC[C@]1(CC(=O)Oc2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811888 IJ Annotated Anodyne CC[C@@]1(CC(=O)Oc2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811892 IJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587811945 IJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587811948 IJ Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587811951 IJ Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587811954 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587819952 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587819956 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587819958 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587819960 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)c(O)c2)N1 ZINC000587820705 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)c(O)c2)N1 ZINC000587820709 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)c(O)c2)N1 ZINC000587820711 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)c(O)c2)N1 ZINC000587820714 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587820959 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587820961 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587820964 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587820967 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)c(O)c2)N1 ZINC000587821322 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)c(O)c2)N1 ZINC000587821323 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)c(O)c2)N1 ZINC000587821324 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)c(O)c2)N1 ZINC000587821325 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587821772 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587821774 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587821776 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587821778 IJ Annotated Clean CC(C)C[C@]1(C2C(=O)CC(C)(C)CC2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587822149 IJ Annotated Anodyne CC(C)C[C@@]1(C2C(=O)CC(C)(C)CC2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587822151 IJ Annotated Anodyne CC(C)C[C@@]1(C2C(=O)CC(C)(C)CC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587822154 IJ Annotated Anodyne CC(C)C[C@]1(C2C(=O)CC(C)(C)CC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587822157 IJ Annotated Anodyne Cc1cc(C)c(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587822235 IJ Annotated Clean Cc1cc(C)c(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587822236 IJ Annotated Clean Cc1cc(C)c(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587822237 IJ Annotated Clean Cc1cc(C)c(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587822239 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587822242 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587822244 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587822245 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(O)cc2O)N1 ZINC000587822246 IJ Annotated Clean Cc1cc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O ZINC000587822312 IJ Annotated Anodyne Cc1cc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O ZINC000587822313 IJ Annotated Anodyne Cc1cc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O ZINC000587822314 IJ Annotated Anodyne Cc1cc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O ZINC000587822315 IJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822470 IJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)CC(C)(C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822471 IJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822473 IJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)CC(C)(C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822475 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822623 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822625 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822627 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(O)c(O)c2O)N1 ZINC000587822629 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@H]2C(=O)C(C)(C)C ZINC000587822854 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2C(=O)C(C)(C)C ZINC000587822856 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@H]2C(=O)C(C)(C)C ZINC000587822857 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@H]2C(=O)C(C)(C)C ZINC000587822859 IJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823085 IJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823087 IJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)CC(C)(C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823089 IJ Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)CC(C)(C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587823091 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2C(=O)C(C)(C)C ZINC000587823287 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@H]2C(=O)C(C)(C)C ZINC000587823289 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@H]2C(=O)C(C)(C)C ZINC000587823292 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@H]2C(=O)C(C)(C)C ZINC000587823294 IJ Annotated Anodyne Cc1cc(C)c(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587823803 IJ Annotated Clean Cc1cc(C)c(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587823804 IJ Annotated Clean Cc1cc(C)c(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587823805 IJ Annotated Clean Cc1cc(C)c(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587823806 IJ Annotated Clean Cc1cc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O ZINC000587823933 IJ Annotated Anodyne Cc1cc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O ZINC000587823934 IJ Annotated Anodyne Cc1cc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O ZINC000587823935 IJ Annotated Anodyne Cc1cc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O ZINC000587823936 IJ Annotated Anodyne CC(C)C[C@]1(C2C(=O)CC(C)(C)CC2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587823969 IJ Annotated Anodyne CC(C)C[C@@]1(C2C(=O)CC(C)(C)CC2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587823971 IJ Annotated Anodyne CC(C)C[C@@]1(C2C(=O)CC(C)(C)CC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587823973 IJ Annotated Anodyne CC(C)C[C@]1(C2C(=O)CC(C)(C)CC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587823975 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587824249 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587824251 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587824253 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccc(O)cc2O)N1 ZINC000587824255 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587825177 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587825180 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587825181 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587825182 IJ Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(C(=O)O)oc12 ZINC000587825528 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(C(=O)O)oc12 ZINC000587825529 IJ Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(C(=O)O)oc12 ZINC000587825530 IJ Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(C(=O)O)oc12 ZINC000587825531 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)O)(c3ccccc3)CC2)N1 ZINC000587825704 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)O)(c3ccccc3)CC2)N1 ZINC000587825707 IJ Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825875 IJ Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825876 IJ Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825877 IJ Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825878 IJ Annotated Anodyne COC(=O)c1cc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc(OC)c2o1 ZINC000587825895 IJ Annotated Anodyne COC(=O)c1cc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc(OC)c2o1 ZINC000587825896 IJ Annotated Anodyne COC(=O)c1cc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc(OC)c2o1 ZINC000587825897 IJ Annotated Anodyne COC(=O)c1cc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc(OC)c2o1 ZINC000587825898 IJ Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(CCCO)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826059 IJ Annotated Anodyne Cc1ccc(C(=O)C[C@]2(CCCO)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826060 IJ Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(CCCO)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826062 IJ Annotated Anodyne Cc1ccc(C(=O)C[C@]2(CCCO)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587826063 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(C)(C)C=O)=CC(=O)c1ccccc12 ZINC000587826157 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(C)(C)C=O)=CC(=O)c1ccccc12 ZINC000587826158 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(C)(C)C=O)=CC(=O)c1ccccc12 ZINC000587826159 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(C)(C)C=O)=CC(=O)c1ccccc12 ZINC000587826160 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(O)ccc12 ZINC000587826349 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(O)ccc12 ZINC000587826350 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(O)ccc12 ZINC000587826353 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(O)ccc12 ZINC000587826355 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587826357 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587826359 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587826360 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587826361 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc3ccccc3c2)(C(=O)O)N1 ZINC000587826563 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc3ccccc3c2)(C(=O)O)N1 ZINC000587826564 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc3ccccc3c2)(C(=O)O)N1 ZINC000587826565 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc3ccccc3c2)(C(=O)O)N1 ZINC000587826566 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(C)(C)C=O)=CC(=O)c1ccccc12 ZINC000587827381 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(C)(C)C=O)=CC(=O)c1ccccc12 ZINC000587827382 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(C)(C)C=O)=CC(=O)c1ccccc12 ZINC000587827383 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C3CCCCC3)cc2)(C(O)O)N1 ZINC000587827472 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C3CCCCC3)cc2)(C(O)O)N1 ZINC000587827473 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C3CCCCC3)cc2)(C(O)O)N1 ZINC000587827474 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C3CCCCC3)cc2)(C(O)O)N1 ZINC000587827475 IJ Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827532 IJ Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827533 IJ Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827534 IJ Annotated Anodyne CCOC(=O)c1oc2c(c1C)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827535 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(C)(C)C=O)=CC(=O)c1ccccc12 ZINC000587827584 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(CCC(=O)c2ccccc2)N1 ZINC000587827597 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(CCC(=O)c2ccccc2)N1 ZINC000587827598 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(CCC(=O)c2ccccc2)N1 ZINC000587827599 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(CCC(=O)c2ccccc2)N1 ZINC000587827600 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587827677 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587827678 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587827679 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587827680 IJ Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827824 IJ Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827825 IJ Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827826 IJ Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587827827 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(c2ccccc2O)N1 ZINC000587827840 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(c2ccccc2O)N1 ZINC000587827841 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccco2)(c2ccccc2O)N1 ZINC000587827842 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccco2)(c2ccccc2O)N1 ZINC000587827843 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc3ccccc3c2)(C(=O)O)N1 ZINC000587827979 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc3ccccc3c2)(C(=O)O)N1 ZINC000587827980 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc3ccccc3c2)(C(=O)O)N1 ZINC000587827981 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc3ccccc3c2)(C(=O)O)N1 ZINC000587827982 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCC[C@H]2C(=O)O)N1 ZINC000587828025 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCC[C@H]2C(=O)O)N1 ZINC000587828026 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCC[C@H]2C(=O)O)N1 ZINC000587828028 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCC[C@H]2C(=O)O)N1 ZINC000587828029 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587828132 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587828134 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587828137 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CC[C@@H](C(=O)O)C2)N1 ZINC000587828139 IJ Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828194 IJ Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828195 IJ Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828196 IJ Annotated Anodyne Cc1c(C(=O)O)oc2c1[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587828197 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(c2ccccc2O)N1 ZINC000587828214 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(c2ccccc2O)N1 ZINC000587828215 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccco2)(c2ccccc2O)N1 ZINC000587828216 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccco2)(c2ccccc2O)N1 ZINC000587828217 IJ Annotated Clean Cc1ccc(C(=O)C[C@@]2(CCCO)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828296 IJ Annotated Anodyne Cc1ccc(C(=O)C[C@]2(CCCO)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828299 IJ Annotated Anodyne Cc1ccc(C(=O)C[C@@]2(CCCO)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828301 IJ Annotated Anodyne Cc1ccc(C(=O)C[C@]2(CCCO)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587828303 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C3CCCCC3)cc2)(C(O)O)N1 ZINC000587828310 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C3CCCCC3)cc2)(C(O)O)N1 ZINC000587828311 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C3CCCCC3)cc2)(C(O)O)N1 ZINC000587828312 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C3CCCCC3)cc2)(C(O)O)N1 ZINC000587828314 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCC[C@H]2C(=O)O)N1 ZINC000587828376 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCC[C@H]2C(=O)O)N1 ZINC000587828378 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCC[C@H]2C(=O)O)N1 ZINC000587828379 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCC[C@H]2C(=O)O)N1 ZINC000587828381 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2O)(c2ccco2)N1 ZINC000587828387 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2O)(c2ccco2)N1 ZINC000587828389 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2O)(c2ccco2)N1 ZINC000587828390 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2O)(c2ccco2)N1 ZINC000587828391 IJ Annotated Anodyne COC(=O)c1cc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc(OC)c2o1 ZINC000587829034 IJ Annotated Anodyne COC(=O)c1cc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc(OC)c2o1 ZINC000587829036 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587829183 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587829184 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587829186 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3c(c2)CCC3)N1 ZINC000587829187 IJ Annotated Anodyne COC(=O)c1cc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc(OC)c2o1 ZINC000587829264 IJ Annotated Anodyne COC(=O)c1cc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc(OC)c2o1 ZINC000587829266 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(OC[C@H]3CO3)cc2)N1 ZINC000587829396 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(OC[C@@H]3CO3)cc2)N1 ZINC000587829405 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccc(OC[C@H]3CO3)cc2)N1 ZINC000587829407 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccc(OC[C@@H]3CO3)cc2)N1 ZINC000587829410 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587829582 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587829583 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587829584 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587829585 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(CCC(=O)c2ccccc2)N1 ZINC000587829608 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(CCC(=O)c2ccccc2)N1 ZINC000587829609 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(CCC(=O)c2ccccc2)N1 ZINC000587829610 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(CCC(=O)c2ccccc2)N1 ZINC000587829611 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587829847 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587829851 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587829855 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587829858 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)O)(c3ccccc3)CC2)N1 ZINC000587829870 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)O)(c3ccccc3)CC2)N1 ZINC000587829873 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(=O)c(OCc3ccccc3)co2)N1 ZINC000587829935 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(=O)c(OCc3ccccc3)co2)N1 ZINC000587829938 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(=O)c(OCc3ccccc3)co2)N1 ZINC000587829940 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(=O)c(OCc3ccccc3)co2)N1 ZINC000587829943 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc(O)ccc1-c1ccc(O)cc12 ZINC000587830077 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc(O)ccc1-c1ccc(O)cc12 ZINC000587830078 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587830440 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587830441 IJ Annotated Anodyne COC(=O)c1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587830442 IJ Annotated Anodyne COC(=O)c1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587830443 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)cccc12 ZINC000587830541 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)cccc12 ZINC000587830543 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(O)cccc12 ZINC000587830545 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(O)cccc12 ZINC000587830547 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)c(O)c3)o2)N1 ZINC000587830689 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)c(O)c3)o2)N1 ZINC000587830690 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)c(O)c3)o2)N1 ZINC000587830691 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)c(O)c3)o2)N1 ZINC000587830692 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(C)(C)C=O)C(=O)c3ccccc32)N1 ZINC000587830739 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(C)(C)C=O)C(=O)c3ccccc32)N1 ZINC000587830742 IJ Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(C)(C)C=O)C(=O)c3ccccc32)N1 ZINC000587830743 IJ Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(C)(C)C=O)C(=O)c3ccccc32)N1 ZINC000587830744 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1 ZINC000587830960 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1 ZINC000587830961 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 ZINC000587830990 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 ZINC000587830991 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 ZINC000587830992 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 ZINC000587830993 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)c(O)c3)o2)N1 ZINC000587831065 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)c(O)c3)o2)N1 ZINC000587831067 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)c(O)c3)o2)N1 ZINC000587831069 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)c(O)c3)o2)N1 ZINC000587831071 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587831213 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587831215 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587831218 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587831221 IJ Annotated Anodyne COc1cccc([C@]2(C[C@@H]3CCCO3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587831227 IJ Annotated Anodyne COc1cccc([C@]2(C[C@H]3CCCO3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587831232 IJ Annotated Anodyne COc1cccc([C@]2(C[C@H]3CCCO3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587831233 IJ Annotated Anodyne COc1cccc([C@]2(C[C@@H]3CCCO3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587831235 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1 ZINC000587831548 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1 ZINC000587831549 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2O)(c2ccco2)N1 ZINC000587831673 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2O)(c2ccco2)N1 ZINC000587831674 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2O)(c2ccco2)N1 ZINC000587831675 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2O)(c2ccco2)N1 ZINC000587831677 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587832424 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587832426 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587832429 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2ccc3c(c2)CCCC3)N1 ZINC000587832432 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2O)(c2ccccc2O)N1 ZINC000587832670 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(C)(C)C=O)C(=O)c3ccccc32)N1 ZINC000587832677 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(C)(C)C=O)C(=O)c3ccccc32)N1 ZINC000587832678 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(C)(C)C=O)C(=O)c3ccccc32)N1 ZINC000587832679 IJ Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(C)(C)C=O)C(=O)c3ccccc32)N1 ZINC000587832680 IJ Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC3CCOCC3)cc2)N1 ZINC000587832798 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC3CCOCC3)cc2)N1 ZINC000587832800 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OC3CCOCC3)cc2)N1 ZINC000587832802 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OC3CCOCC3)cc2)N1 ZINC000587832803 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C=O)c2)(C2CCOCC2)N1 ZINC000587832817 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C=O)c2)(C2CCOCC2)N1 ZINC000587832818 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(C=O)c2)(C2CCOCC2)N1 ZINC000587832819 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(C=O)c2)(C2CCOCC2)N1 ZINC000587832820 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2O)(c2ccccc2O)N1 ZINC000587832860 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2O)(c2ccccc2O)N1 ZINC000587832974 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2O)(c2ccccc2O)N1 ZINC000587832975 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC3CCOCC3)cc2)N1 ZINC000587833148 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC3CCOCC3)cc2)N1 ZINC000587833151 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OC3CCOCC3)cc2)N1 ZINC000587833154 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OC3CCOCC3)cc2)N1 ZINC000587833157 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccccc2O)N1 ZINC000587833203 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccccc2O)N1 ZINC000587833204 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccccc2O)N1 ZINC000587833205 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccccc2O)N1 ZINC000587833207 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(O)cc12 ZINC000587833285 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(O)cc12 ZINC000587833324 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(O)cc12 ZINC000587833327 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(O)cc12 ZINC000587833328 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(O)cc12 ZINC000587833394 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(O)cc12 ZINC000587833399 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(O)cc12 ZINC000587833402 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(O)cc12 ZINC000587833407 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)C3CCOCC3)c2)N1 ZINC000587833495 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)C3CCOCC3)c2)N1 ZINC000587833498 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C(=O)C3CCOCC3)c2)N1 ZINC000587833500 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C(=O)C3CCOCC3)c2)N1 ZINC000587833503 IJ Annotated Anodyne CCCCOC(=O)C1=C[C@@]2(CC(C)(C)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833733 IJ Annotated Anodyne CCCCOC(=O)C1=C[C@]2(CC(C)(C)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833736 IJ Annotated Anodyne CCCCOC(=O)C1=C[C@]2(CC(C)(C)O1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833737 IJ Annotated Anodyne CCCCOC(=O)C1=C[C@@]2(CC(C)(C)O1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833740 IJ Annotated Anodyne COc1cc(O)c2c(c1)OC(C)(C)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834073 IJ Annotated Clean COc1cc(O)c2c(c1)OC(C)(C)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834075 IJ Annotated Clean COc1cc(O)c2c(c1)OC(C)(C)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834076 IJ Annotated Clean COc1cc(O)c2c(c1)OC(C)(C)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834078 IJ Annotated Clean COc1cccc([C@]2(C[C@@H]3CCCO3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587834136 IJ Annotated Anodyne COc1cccc([C@]2(C[C@H]3CCCO3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587834138 IJ Annotated Anodyne COc1cccc([C@]2(C[C@H]3CCCO3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587834139 IJ Annotated Anodyne COc1cccc([C@]2(C[C@@H]3CCCO3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587834141 IJ Annotated Anodyne COc1ccc([C@@]2(C3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587834211 IJ Annotated Anodyne COc1ccc([C@]2(C3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587834212 IJ Annotated Anodyne COc1ccc([C@@]2(C3CCOCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587834213 IJ Annotated Anodyne COc1ccc([C@]2(C3CCOCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587834214 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc(O)ccc1-c1ccc(O)cc12 ZINC000587834288 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc(O)ccc1-c1ccc(O)cc12 ZINC000587834291 IJ Annotated Anodyne CCCCOC(=O)C1=C[C@@]2(CC(C)(C)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834376 IJ Annotated Anodyne CCCCOC(=O)C1=C[C@]2(CC(C)(C)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834378 IJ Annotated Anodyne CCCCOC(=O)C1=C[C@]2(CC(C)(C)O1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834379 IJ Annotated Anodyne CCCCOC(=O)C1=C[C@@]2(CC(C)(C)O1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834381 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(O)ccc12 ZINC000587834423 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(O)ccc12 ZINC000587834424 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(O)ccc12 ZINC000587834425 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(O)ccc12 ZINC000587834426 IJ Annotated Anodyne COc1ccc([C@@]2(C3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587834520 IJ Annotated Anodyne COc1ccc([C@]2(C3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587834522 IJ Annotated Anodyne COc1ccc([C@@]2(C3CCOCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587834523 IJ Annotated Anodyne COc1ccc([C@]2(C3CCOCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587834525 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccccc2O)N1 ZINC000587834569 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccccc2O)N1 ZINC000587834570 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccccc2O)N1 ZINC000587834571 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccccc2O)N1 ZINC000587834572 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 ZINC000587834615 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 ZINC000587834616 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 ZINC000587834617 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(O)c12 ZINC000587834619 IJ Annotated Clean COc1cc(O)c2c(c1)OC(C)(C)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834763 IJ Annotated Clean COc1cc(O)c2c(c1)OC(C)(C)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834764 IJ Annotated Clean COc1cc(O)c2c(c1)OC(C)(C)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834765 IJ Annotated Clean COc1cc(O)c2c(c1)OC(C)(C)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834766 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC2OCCCO2)(c2ccccc2)N1 ZINC000587834767 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC2OCCCO2)(c2ccccc2)N1 ZINC000587834768 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC2OCCCO2)(c2ccccc2)N1 ZINC000587834769 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC2OCCCO2)(c2ccccc2)N1 ZINC000587834770 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)(c3ccc4c(c3)OCO4)CC2)N1 ZINC000587834947 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)(c3ccc4c(c3)OCO4)CC2)N1 ZINC000587834950 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(OC[C@H]3CO3)cc2)N1 ZINC000587835331 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(OC[C@@H]3CO3)cc2)N1 ZINC000587835332 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccc(OC[C@H]3CO3)cc2)N1 ZINC000587835333 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccc(OC[C@@H]3CO3)cc2)N1 ZINC000587835334 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)(c3ccc4c(c3)OCO4)CC2)N1 ZINC000587835525 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)(c3ccc4c(c3)OCO4)CC2)N1 ZINC000587835526 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)C3CCOCC3)c2)N1 ZINC000587835850 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)C3CCOCC3)c2)N1 ZINC000587835851 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C(=O)C3CCOCC3)c2)N1 ZINC000587835853 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C(=O)C3CCOCC3)c2)N1 ZINC000587835854 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC2OCCCO2)(c2ccccc2)N1 ZINC000587835933 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC2OCCCO2)(c2ccccc2)N1 ZINC000587835935 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC2OCCCO2)(c2ccccc2)N1 ZINC000587835938 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC2OCCCO2)(c2ccccc2)N1 ZINC000587835940 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)cccc12 ZINC000587836084 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)cccc12 ZINC000587836087 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(O)cccc12 ZINC000587836091 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(O)cccc12 ZINC000587836095 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(=O)c(OCc3ccccc3)co2)N1 ZINC000587836261 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(=O)c(OCc3ccccc3)co2)N1 ZINC000587836262 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(=O)c(OCc3ccccc3)co2)N1 ZINC000587836263 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(=O)c(OCc3ccccc3)co2)N1 ZINC000587836264 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccc4c(c3)OCO4)C2)N1 ZINC000587836571 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccc4c(c3)OCO4)C2)N1 ZINC000587836572 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccc4c(c3)OCO4)C2)N1 ZINC000587836573 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccc4c(c3)OCO4)C2)N1 ZINC000587836574 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccc4c(c3)OCO4)C2)N1 ZINC000587836745 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccc4c(c3)OCO4)C2)N1 ZINC000587836746 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccc4c(c3)OCO4)C2)N1 ZINC000587836747 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccc4c(c3)OCO4)C2)N1 ZINC000587836748 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C=O)c2)(C2CCOCC2)N1 ZINC000587837061 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C=O)c2)(C2CCOCC2)N1 ZINC000587837062 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(C=O)c2)(C2CCOCC2)N1 ZINC000587837063 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(C=O)c2)(C2CCOCC2)N1 ZINC000587837064 IJ Annotated Anodyne Cc1cc(=O)oc2c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)ccc12 ZINC000587837355 IJ Annotated Clean Cc1cc(=O)oc2c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)ccc12 ZINC000587837356 IJ Annotated Clean Cc1cc(=O)oc2c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)ccc12 ZINC000587837357 IJ Annotated Clean Cc1cc(=O)oc2c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)ccc12 ZINC000587837358 IJ Annotated Clean Cc1cc(=O)oc2c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)ccc12 ZINC000587837363 IJ Annotated Clean Cc1cc(=O)oc2c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)ccc12 ZINC000587837364 IJ Annotated Clean Cc1cc(=O)oc2c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)ccc12 ZINC000587837365 IJ Annotated Clean Cc1cc(=O)oc2c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)ccc12 ZINC000587837366 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 ZINC000587837443 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 ZINC000587837444 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 ZINC000587837445 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 ZINC000587837446 IJ Annotated Clean Cc1ccc2c(c1)OC=C(/C=C/C(=O)O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837655 IJ Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C/C(=O)O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837656 IJ Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C\C(=O)O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837657 IJ Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C\C(=O)O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837658 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 ZINC000587837716 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 ZINC000587837717 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 ZINC000587837718 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 ZINC000587837719 IJ Annotated Clean CC(C)c1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 ZINC000587838002 IJ Annotated Reactive CC(C)c1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 ZINC000587838004 IJ Annotated Reactive CC(C)c1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 ZINC000587838005 IJ Annotated Reactive CC(C)c1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=CO2 ZINC000587838006 IJ Annotated Reactive CCC[C@]1(c2cc3ccc(O)cc3oc2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838078 IJ Annotated Anodyne CCC[C@@]1(c2cc3ccc(O)cc3oc2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838079 IJ Annotated Anodyne CCC[C@]1(c2cc3ccc(O)cc3oc2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838080 IJ Annotated Anodyne CCC[C@@]1(c2cc3ccc(O)cc3oc2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838081 IJ Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 ZINC000587838195 IJ Annotated Reactive CC(C)c1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 ZINC000587838196 IJ Annotated Reactive CC(C)c1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 ZINC000587838197 IJ Annotated Reactive CC(C)c1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=CO2 ZINC000587838198 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC4(C[C@H]3C2)OCC(C)(C)CO4)N1 ZINC000587838593 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3CC4(C[C@@H]3C2)OCC(C)(C)CO4)N1 ZINC000587838594 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC4(C[C@H]3C2)OCC(C)(C)CO4)N1 ZINC000587838595 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC4(C[C@H]3C2)OCC(C)(C)CO4)N1 ZINC000587838596 IJ Annotated Anodyne COc1cccc2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc12 ZINC000587838861 IJ Annotated Anodyne COc1cccc2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc12 ZINC000587838864 IJ Annotated Anodyne COc1cccc2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc12 ZINC000587838865 IJ Annotated Anodyne COc1cccc2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc12 ZINC000587838866 IJ Annotated Anodyne CCC[C@@]1(c2cc3ccc(O)cc3oc2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839200 IJ Annotated Anodyne CCC[C@]1(c2cc3ccc(O)cc3oc2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839201 IJ Annotated Anodyne CCC[C@@]1(c2cc3ccc(O)cc3oc2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839202 IJ Annotated Anodyne CCC[C@]1(c2cc3ccc(O)cc3oc2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839203 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 ZINC000587839296 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 ZINC000587839300 IJ Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 ZINC000587839302 IJ Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1Oc1cc(O)cc(O)c12 ZINC000587839305 IJ Annotated Clean COc1ccc2cc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc2c1 ZINC000587839722 IJ Annotated Anodyne COc1ccc2cc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc2c1 ZINC000587839723 IJ Annotated Anodyne COc1ccc2cc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc2c1 ZINC000587839725 IJ Annotated Anodyne COc1ccc2cc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)oc2c1 ZINC000587839726 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 ZINC000587839978 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 ZINC000587839979 IJ Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 ZINC000587839980 IJ Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(O)ccc1Oc1cccc(O)c12 ZINC000587839981 IJ Annotated Clean Cc1ccc2c(c1)OC=C(/C=C\C(=O)O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840206 IJ Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C\C(=O)O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840207 IJ Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C/C(=O)O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840208 IJ Annotated Anodyne Cc1ccc2c(c1)OC=C(/C=C/C(=O)O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840209 IJ Annotated Anodyne CC[C@]1(c2cc3ccc(O)cc3oc2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840335 IJ Annotated Anodyne CC[C@]1(c2cc3ccc(O)cc3oc2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840337 IJ Annotated Anodyne CC[C@@]1(c2cc3ccc(O)cc3oc2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840339 IJ Annotated Anodyne CC[C@@]1(c2cc3ccc(O)cc3oc2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840341 IJ Annotated Anodyne COc1cccc2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc12 ZINC000587840419 IJ Annotated Anodyne COc1cccc2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc12 ZINC000587840420 IJ Annotated Anodyne COc1cccc2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc12 ZINC000587840422 IJ Annotated Anodyne COc1cccc2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc12 ZINC000587840423 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC4(C[C@H]3C2)OCC(C)(C)CO4)N1 ZINC000587840572 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3CC4(C[C@@H]3C2)OCC(C)(C)CO4)N1 ZINC000587840573 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC4(C[C@H]3C2)OCC(C)(C)CO4)N1 ZINC000587840574 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC4(C[C@H]3C2)OCC(C)(C)CO4)N1 ZINC000587840575 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Oc2ccc3ccc(=O)oc3c2)N1 ZINC000587840776 IJ Annotated Anodyne C[C@H](Oc1ccc2ccc(=O)oc2c1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840777 IJ Annotated Anodyne C[C@H](Oc1ccc2ccc(=O)oc2c1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840778 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Oc2ccc3ccc(=O)oc3c2)N1 ZINC000587840779 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccc(O)cc1Oc1cc(O)ccc12 ZINC000587840784 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccc(O)cc1Oc1cc(O)ccc12 ZINC000587840785 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccc(O)cc1Oc1cc(O)ccc12 ZINC000587841246 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccc(O)cc1Oc1cc(O)ccc12 ZINC000587841247 IJ Annotated Anodyne COc1ccc2cc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc2c1 ZINC000587841366 IJ Annotated Anodyne COc1ccc2cc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc2c1 ZINC000587841372 IJ Annotated Anodyne COc1ccc2cc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc2c1 ZINC000587841374 IJ Annotated Anodyne COc1ccc2cc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)oc2c1 ZINC000587841375 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587841614 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587841615 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587841616 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587841617 IJ Annotated Anodyne COc1cc(SC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587841917 IJ Annotated Anodyne COc1cc(SC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587841920 IJ Annotated Anodyne COc1cc(SC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587841921 IJ Annotated Anodyne COc1cc(SC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587841923 IJ Annotated Anodyne Cc1cc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 ZINC000587843234 IJ Annotated Anodyne Cc1cc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 ZINC000587843235 IJ Annotated Anodyne Cc1cc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 ZINC000587843236 IJ Annotated Anodyne Cc1cc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 ZINC000587843237 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587843268 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587843269 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587843270 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cc(Cl)sc2Cl)N1 ZINC000587843271 IJ Annotated Anodyne CSc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843461 IJ Annotated Anodyne CSc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843463 IJ Annotated Anodyne CSc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843465 IJ Annotated Anodyne CSc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587843467 IJ Annotated Anodyne CC[C@@]1(c2cc3ccc(O)cc3oc2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843898 IJ Annotated Anodyne CC[C@@]1(c2cc3ccc(O)cc3oc2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843899 IJ Annotated Anodyne CC[C@]1(c2cc3ccc(O)cc3oc2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843900 IJ Annotated Anodyne CC[C@]1(c2cc3ccc(O)cc3oc2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843901 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(SC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844658 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(SC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844661 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(SC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844663 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(SC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844665 IJ Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845012 IJ Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845013 IJ Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845014 IJ Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845015 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Oc2ccc3ccc(=O)oc3c2)N1 ZINC000587845148 IJ Annotated Anodyne C[C@H](Oc1ccc2ccc(=O)oc2c1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845149 IJ Annotated Anodyne C[C@H](Oc1ccc2ccc(=O)oc2c1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845150 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Oc2ccc3ccc(=O)oc3c2)N1 ZINC000587845151 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C#N)s2)N1 ZINC000587845296 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C#N)s2)N1 ZINC000587845300 IJ Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C#N)s2)N1 ZINC000587845302 IJ Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C#N)s2)N1 ZINC000587845304 IJ Annotated Reactive COC(=O)c1sccc1O[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845316 IJ Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845318 IJ Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845320 IJ Annotated Anodyne COC(=O)c1sccc1O[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845322 IJ Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845404 IJ Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845406 IJ Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845408 IJ Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845410 IJ Annotated Anodyne CCS(=O)(=O)c1c(Cl)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845521 IJ Annotated Anodyne CCS(=O)(=O)c1c(Cl)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845524 IJ Annotated Anodyne CCS(=O)(=O)c1c(Cl)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845527 IJ Annotated Anodyne CCS(=O)(=O)c1c(Cl)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845531 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1SC ZINC000587845616 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1SC ZINC000587845617 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1SC ZINC000587845618 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1SC ZINC000587845619 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(SC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845863 IJ Annotated Anodyne CCOC(=O)[C@]1(c2ccc(SC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845865 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(SC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845866 IJ Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(SC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845868 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846020 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846021 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846022 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846023 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846030 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846031 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846032 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846033 IJ Annotated Anodyne COC(=O)CCC[C@@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846451 IJ Annotated Anodyne COC(=O)CCC[C@@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846453 IJ Annotated Anodyne COC(=O)CCC[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846454 IJ Annotated Anodyne COC(=O)CCC[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846456 IJ Annotated Anodyne CCOC(=O)c1c(N)sc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587846631 IJ Annotated Anodyne CCOC(=O)c1c(N)sc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587846634 IJ Annotated Anodyne CCOC(=O)c1c(N)sc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587846635 IJ Annotated Anodyne CCOC(=O)c1c(N)sc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587846636 IJ Annotated Anodyne CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847000 IJ Annotated Unstable CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847003 IJ Annotated Unstable CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847006 IJ Annotated Unstable CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587847009 IJ Annotated Unstable Cc1cc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 ZINC000587847056 IJ Annotated Anodyne Cc1cc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 ZINC000587847057 IJ Annotated Anodyne Cc1cc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 ZINC000587847059 IJ Annotated Anodyne Cc1cc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 ZINC000587847060 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847123 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847124 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847125 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847126 IJ Annotated Anodyne CCS(=O)(=O)c1c(Cl)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847143 IJ Annotated Anodyne CCS(=O)(=O)c1c(Cl)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847145 IJ Annotated Anodyne CCS(=O)(=O)c1c(Cl)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847149 IJ Annotated Anodyne CCS(=O)(=O)c1c(Cl)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847154 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCSCC3)s2)N1 ZINC000587847180 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCSCC3)s2)N1 ZINC000587847194 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCSCC3)s2)N1 ZINC000587847196 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCSCC3)s2)N1 ZINC000587847198 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCSCC3)s2)N1 ZINC000587847283 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCSCC3)s2)N1 ZINC000587847285 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCSCC3)s2)N1 ZINC000587847287 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCSCC3)s2)N1 ZINC000587847288 IJ Annotated Anodyne Cc1cc(C)nc(SC[C@@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587847486 IJ Annotated Anodyne Cc1cc(C)nc(SC[C@]2(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587847501 IJ Annotated Anodyne Cc1cc(C)nc(SC[C@@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587847502 IJ Annotated Anodyne Cc1cc(C)nc(SC[C@]2(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587847504 IJ Annotated Anodyne CCOC(=O)c1c(N)sc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587848098 IJ Annotated Anodyne CCOC(=O)c1c(N)sc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587848101 IJ Annotated Anodyne CCOC(=O)c1c(N)sc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587848102 IJ Annotated Anodyne CCOC(=O)c1c(N)sc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587848103 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848264 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848265 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848266 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848267 IJ Annotated Anodyne COc1cc(SC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587848738 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848740 IJ Annotated Unstable COc1cc(SC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587848741 IJ Annotated Anodyne COc1cc(SC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587848742 IJ Annotated Anodyne COc1cc(SC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587848743 IJ Annotated Anodyne Cc1cc(C)nc(SC[C@@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587848760 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848761 IJ Annotated Unstable Cc1cc(C)nc(SC[C@]2(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587848762 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848763 IJ Annotated Unstable Cc1cc(C)nc(SC[C@@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587848764 IJ Annotated Anodyne Cc1cc(C)nc(SC[C@]2(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587848765 IJ Annotated Anodyne CSc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848770 IJ Annotated Anodyne CSc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848771 IJ Annotated Anodyne CSc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848772 IJ Annotated Anodyne CSc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848773 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848774 IJ Annotated Unstable CCS(=O)(=O)c1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848783 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848785 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848787 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848789 IJ Annotated Anodyne COC(=O)CCC[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848910 IJ Annotated Anodyne COC(=O)CCC[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848911 IJ Annotated Anodyne COC(=O)CCC[C@@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848912 IJ Annotated Anodyne COC(=O)CCC[C@@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848913 IJ Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1SC ZINC000587848996 IJ Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1SC ZINC000587848997 IJ Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1SC ZINC000587848998 IJ Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1SC ZINC000587848999 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C#N)s2)N1 ZINC000587849185 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C#N)s2)N1 ZINC000587849187 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C#N)s2)N1 ZINC000587849189 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C#N)s2)N1 ZINC000587849191 IJ Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587849318 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587849319 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587849320 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587849321 IJ Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849658 IJ Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849659 IJ Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849660 IJ Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849661 IJ Annotated Anodyne CCCCS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587849750 IJ Annotated Anodyne CCCCS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587849751 IJ Annotated Anodyne CCCCS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587849752 IJ Annotated Anodyne CCCCS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587849753 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587849909 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587849911 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587849912 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc(Cl)s2)N1 ZINC000587849914 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850002 IJ Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850003 IJ Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850004 IJ Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850005 IJ Annotated Unstable CCCCS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587850066 IJ Annotated Anodyne CCCCS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587850067 IJ Annotated Anodyne CCCCS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587850068 IJ Annotated Anodyne CCCCS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587850069 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(Cl)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850089 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(Cl)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850091 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(Cl)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850093 IJ Annotated Anodyne CCS(=O)(=O)c1ccc(Cl)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850095 IJ Annotated Anodyne Cc1csc([C@H](C#N)[C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587850204 IJ Annotated Reactive Cc1csc([C@H](C#N)[C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587850205 IJ Annotated Reactive Cc1csc([C@H](C#N)[C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587850206 IJ Annotated Reactive Cc1csc([C@H](C#N)[C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587850207 IJ Annotated Reactive CCOC(=O)CC[C@@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850328 IJ Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850330 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850332 IJ Annotated Anodyne CCOC(=O)CC[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850334 IJ Annotated Anodyne Cc1sc([C@@]2(CN)N[C@H](C)Cc3ccc(F)c(Br)c32)nc1-c1ccccc1 ZINC000587850744 IJ Annotated Anodyne Cc1sc([C@]2(CN)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1-c1ccccc1 ZINC000587850745 IJ Annotated Anodyne Cc1sc([C@@]2(CN)N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1-c1ccccc1 ZINC000587850746 IJ Annotated Anodyne Cc1sc([C@]2(CN)N[C@H](C)Cc3ccc(F)c(Br)c32)nc1-c1ccccc1 ZINC000587850747 IJ Annotated Anodyne Cc1nc(N)sc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850754 IJ Annotated Anodyne Cc1nc(N)sc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850755 IJ Annotated Anodyne Cc1nc(N)sc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850756 IJ Annotated Anodyne Cc1nc(N)sc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850757 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCCC3)nc2Cl)N1 ZINC000587850758 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCCC3)nc2Cl)N1 ZINC000587850759 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(N3CCCC3)nc2Cl)N1 ZINC000587850760 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(N3CCCC3)nc2Cl)N1 ZINC000587850761 IJ Annotated Anodyne CCCCS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587850820 IJ Annotated Anodyne CCCCS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587850821 IJ Annotated Anodyne CCCCS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587850822 IJ Annotated Anodyne CCCCS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587850823 IJ Annotated Anodyne CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851006 IJ Annotated Unstable CC[C@]1(c2cccc(S(=O)(=O)Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851007 IJ Annotated Unstable CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851008 IJ Annotated Unstable CC[C@@]1(c2cccc(S(=O)(=O)Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851009 IJ Annotated Unstable CCCCNc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851280 IJ Annotated Anodyne CCCCNc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851285 IJ Annotated Anodyne CCCCNc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851286 IJ Annotated Anodyne CCCCNc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851288 IJ Annotated Anodyne Cc1sc([C@@]2(CN)N[C@H](C)Cc3cc(Br)c(F)cc32)nc1-c1ccccc1 ZINC000587852042 IJ Annotated Anodyne Cc1sc([C@]2(CN)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1-c1ccccc1 ZINC000587852043 IJ Annotated Anodyne Cc1sc([C@@]2(CN)N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1-c1ccccc1 ZINC000587852044 IJ Annotated Anodyne Cc1sc([C@]2(CN)N[C@H](C)Cc3cc(Br)c(F)cc32)nc1-c1ccccc1 ZINC000587852045 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852230 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852231 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852232 IJ Annotated Anodyne CC(C)CS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852233 IJ Annotated Anodyne CCOP(=O)(C[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587852254 IJ Annotated Reactive CCOP(=O)(C[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587852255 IJ Annotated Reactive CCOP(=O)(C[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587852256 IJ Annotated Reactive CCOP(=O)(C[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21)OCC ZINC000587852257 IJ Annotated Reactive CCCCS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852298 IJ Annotated Anodyne CCCCS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852299 IJ Annotated Anodyne CCCCS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852300 IJ Annotated Anodyne CCCCS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852301 IJ Annotated Anodyne CCOP(=O)(C[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587852306 IJ Annotated Reactive CCOP(=O)(C[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587852307 IJ Annotated Reactive CCOP(=O)(C[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587852308 IJ Annotated Reactive CCOP(=O)(C[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21)OCC ZINC000587852309 IJ Annotated Reactive Cc1c([C@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 ZINC000587852417 IJ Annotated Anodyne Cc1c([C@@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 ZINC000587852426 IJ Annotated Anodyne Cc1c([C@@]2(C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 ZINC000587852427 IJ Annotated Anodyne Cc1c([C@]2(C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2ccccc12 ZINC000587852429 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCCC3)nc2Cl)N1 ZINC000587852508 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCCC3)nc2Cl)N1 ZINC000587852509 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(N3CCCC3)nc2Cl)N1 ZINC000587852510 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(N3CCCC3)nc2Cl)N1 ZINC000587852511 IJ Annotated Anodyne COc1nc(N2CCCCC2)sc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852632 IJ Annotated Anodyne COc1nc(N2CCCCC2)sc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852633 IJ Annotated Anodyne COc1nc(N2CCCCC2)sc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852634 IJ Annotated Anodyne COc1nc(N2CCCCC2)sc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852635 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587852640 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587852641 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587852642 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587852643 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(Br)=C/Nc2nccs2)N1 ZINC000587852776 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(Br)=C\Nc2nccs2)N1 ZINC000587852777 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(Br)=C\Nc2nccs2)N1 ZINC000587852778 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(Br)=C/Nc2nccs2)N1 ZINC000587852779 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(Br)=C\Nc2nccs2)N1 ZINC000587852796 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(Br)=C/Nc2nccs2)N1 ZINC000587852797 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(Br)=C\Nc2nccs2)N1 ZINC000587852798 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(Br)=C/Nc2nccs2)N1 ZINC000587852799 IJ Annotated Anodyne Cc1nc(N)sc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852830 IJ Annotated Anodyne Cc1nc(N)sc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852831 IJ Annotated Anodyne Cc1nc(N)sc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852832 IJ Annotated Anodyne Cc1nc(N)sc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852833 IJ Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853199 IJ Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853209 IJ Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853211 IJ Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587853213 IJ Annotated Anodyne CCCCNc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587853362 IJ Annotated Anodyne CCCCNc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587853363 IJ Annotated Anodyne CCCCNc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587853364 IJ Annotated Anodyne CCCCNc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587853365 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Nc3cccnc3)s2)N1 ZINC000587853514 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Nc3cccnc3)s2)N1 ZINC000587853515 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Nc3cccnc3)s2)N1 ZINC000587853516 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Nc3cccnc3)s2)N1 ZINC000587853517 IJ Annotated Anodyne C=CCn1ncc(-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)c(Cl)c1=O ZINC000587853745 IJ Annotated Mild Cc1csc([C@H](C#N)[C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587853835 IJ Annotated Reactive Cc1csc([C@H](C#N)[C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587853837 IJ Annotated Reactive Cc1csc([C@H](C#N)[C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587853838 IJ Annotated Reactive Cc1csc([C@H](C#N)[C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587853839 IJ Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587853842 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587853845 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587853848 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sc(N)nc2-c2ccccc2)N1 ZINC000587853850 IJ Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854022 IJ Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854023 IJ Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854024 IJ Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854025 IJ Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854030 IJ Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854031 IJ Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854032 IJ Annotated Anodyne CCOC(=O)Nc1snc(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854033 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Nc3cccnc3)s2)N1 ZINC000587854073 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Nc3cccnc3)s2)N1 ZINC000587854075 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Nc3cccnc3)s2)N1 ZINC000587854077 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Nc3cccnc3)s2)N1 ZINC000587854079 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1n[nH]c(C)c1Br ZINC000587854267 IJ Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854289 IJ Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854290 IJ Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854291 IJ Annotated Anodyne Cc1nc(-c2cnccn2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854292 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(c3ccccc3)N3CCN=C3S2)N1 ZINC000587854351 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(c3ccccc3)N3CCN=C3S2)N1 ZINC000587854353 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(c3ccccc3)N3CCN=C3S2)N1 ZINC000587854356 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(c3ccccc3)N3CCN=C3S2)N1 ZINC000587854358 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(F)cc1S(C)(=O)=O ZINC000587854446 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(c3ccccc3)N3CCN=C3S2)N1 ZINC000587854753 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(c3ccccc3)N3CCN=C3S2)N1 ZINC000587854754 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(c3ccccc3)N3CCN=C3S2)N1 ZINC000587854755 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(c3ccccc3)N3CCN=C3S2)N1 ZINC000587854756 IJ Annotated Anodyne CCOC(=O)C(=C1SCS1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854819 IJ Annotated Anodyne CCOC(=O)C(=C1SCS1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854830 IJ Annotated Anodyne CCOC(=O)C(=C1SCS1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854834 IJ Annotated Anodyne CCOC(=O)C(=C1SCS1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854837 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C(F)(F)F)nn1C ZINC000587855624 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(F)(F)F)nc2ncnn12 ZINC000587855722 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(Br)sc32)N1 ZINC000587855778 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(Br)sc32)N1 ZINC000587855788 IJ Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(Br)sc32)N1 ZINC000587855791 IJ Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(Br)sc32)N1 ZINC000587855794 IJ Annotated Anodyne Cc1c([C@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 ZINC000587855796 IJ Annotated Anodyne Cc1c([C@@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 ZINC000587855798 IJ Annotated Anodyne Cc1c([C@@]2(C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 ZINC000587855803 IJ Annotated Anodyne Cc1c([C@]2(C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2ccccc12 ZINC000587855807 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(Br)cnc1OC ZINC000587855811 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C(F)(F)F)n(C)n1 ZINC000587856189 IJ Annotated Anodyne COC(=O)c1sc2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1C ZINC000587856505 IJ Annotated Anodyne COC(=O)c1sc2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1C ZINC000587856508 IJ Annotated Anodyne COC(=O)c1sc2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2c1C ZINC000587856509 IJ Annotated Anodyne COC(=O)c1sc2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2c1C ZINC000587856511 IJ Annotated Anodyne COc1nc(N2CCCCC2)sc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856632 IJ Annotated Anodyne COc1nc(N2CCCCC2)sc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856633 IJ Annotated Anodyne COc1nc(N2CCCCC2)sc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856634 IJ Annotated Anodyne COc1nc(N2CCCCC2)sc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856635 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc(Br)cn1 ZINC000587856927 IJ Annotated Anodyne CCOC(=O)C(=C1SCS1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857212 IJ Annotated Anodyne CCOC(=O)C(=C1SCS1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857213 IJ Annotated Anodyne CCOC(=O)C(=C1SCS1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857214 IJ Annotated Anodyne CCOC(=O)C(=C1SCS1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587857215 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(N)cc1Br ZINC000587857646 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCCCCCC(=O)NN ZINC000587858119 IJ Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN(C)C(=O)OC(C)(C)C ZINC000587858120 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc2c(c1)OCO2 ZINC000587858316 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(OC)c(O)c(OC)c1 ZINC000587858375 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(Br)sc32)N1 ZINC000587858484 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(Br)sc32)N1 ZINC000587858485 IJ Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(Br)sc32)N1 ZINC000587858486 IJ Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(Br)sc32)N1 ZINC000587858487 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)NC(=O)OC(C)(C)C ZINC000587858534 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000587858535 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C(=O)OC)cc1 ZINC000587858541 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nc(-c2ccccc2)no1 ZINC000587858550 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000587858823 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000587858930 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000587858932 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2c(=O)n1CC ZINC000587858950 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)NOCc1cccc(OC)c1 ZINC000587859013 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cnn(C)c2C)on1 ZINC000587859020 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nnc(-c2ccccc2)o1 ZINC000587859235 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(C)n1 ZINC000587859319 IJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1 ZINC000587859320 IJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn(-c2cccc(C)n2)cn1 ZINC000587859567 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(O)c2cnn(C(C)(C)C)c2n1 ZINC000587859688 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1nc([N+](=O)[O-])cc1C ZINC000587859724 IJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1nc([N+](=O)[O-])cc1C ZINC000587859726 IJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000587859979 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000587859980 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000587859982 IJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000587860017 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000587860019 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000587860023 IJ Annotated Anodyne COC(=O)c1sc2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1C ZINC000587860037 IJ Annotated Anodyne COC(=O)c1sc2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1C ZINC000587860039 IJ Annotated Anodyne COC(=O)c1sc2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2c1C ZINC000587860040 IJ Annotated Anodyne COC(=O)c1sc2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2c1C ZINC000587860042 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1 ZINC000587860113 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1 ZINC000587860120 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1 ZINC000587860122 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1 ZINC000587860123 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000587860192 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000587860193 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCN(c2ncccn2)CC1 ZINC000587860222 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn(-c2ccccc2)c1N ZINC000587860279 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2cn(C)nc2C)n1 ZINC000587860381 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000587860418 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000587860480 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cn(C)nc2C)on1 ZINC000587860504 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000587860508 IJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nn2cnnc2c2ccccc12 ZINC000587860517 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000587860536 IJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000587860596 IJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](CC)n1cc([N+](=O)[O-])cn1 ZINC000587860612 IJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](CC)n1cc([N+](=O)[O-])cn1 ZINC000587860613 IJ Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(-n2nc(C)cc2C)nn1 ZINC000587860620 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccc(-c2cnn(C)c2C)n1 ZINC000587860626 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000587860633 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc(-c2ccc(Cl)cc2)no1 ZINC000587860645 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cncn1-c1ccc(F)cc1 ZINC000587860683 IJ Annotated Anodyne CCOC(=O)c1cnc(Cl)cc1-n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587860705 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1nc(C(F)F)cc1C ZINC000587860723 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1nc(C(F)F)cc1C ZINC000587860724 IJ Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc2nc(NN)sc2c1 ZINC000587860751 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1nc(C(F)(F)F)cc1C ZINC000587860916 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cnn(C(C)(C)C)c(=O)c1Cl ZINC000587860918 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000587860922 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000587860923 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000587860983 IJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000587861056 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(F)cc(C(=O)N(C)C)cc1F ZINC000587861063 IJ Annotated Anodyne CCn1nc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1C(F)(F)F ZINC000587861073 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(Br)nc1Cl ZINC000587861157 IJ Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)ccc1OC(F)F ZINC000587861223 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1F ZINC000587861312 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(F)cc1F ZINC000587861315 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1nc(C)c(Cl)c1C ZINC000587861435 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1nc(C)c(Cl)c1C ZINC000587861436 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(-n2cncn2)cc1Cl ZINC000587861494 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC000587861564 IJ Annotated Anodyne CCn1nc(C(F)(F)F)cc1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587861577 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc(O)cc2)on1 ZINC000587861733 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc(-c2ccc(C)cc2)no1 ZINC000587861752 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(Br)cc1[N+](=O)[O-] ZINC000587861805 IJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc([N+](=O)[O-])cc1Br ZINC000587861902 IJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000587861914 IJ Annotated Anodyne COc1ccc(NC(=S)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1F ZINC000587861965 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000587861983 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000587862335 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(C(C)=O)cc1 ZINC000587862366 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1 ZINC000587862367 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000587862505 IJ Annotated Bother COc1ccc(-c2cc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)no2)cc1 ZINC000587862525 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C(=O)OC(C)(C)C)nc1 ZINC000587862551 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccccn2)nc2c1CCC2 ZINC000587862567 IJ Annotated Anodyne CCn1nc(C)c2c(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)cc(C)nc21 ZINC000587862581 IJ Annotated Anodyne CCCc1noc(-c2cccnc2-n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 ZINC000587862583 IJ Annotated Anodyne CCn1cc(-c2ccnc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)c(C)n1 ZINC000587862585 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccnc(NC(=O)C(C)(C)C)c1 ZINC000587862660 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000587862689 IJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000587862691 IJ Annotated Bother CCc1nc2ccccc2n1CC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587862751 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000587862770 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000587862792 IJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C2CC2)nc2onc(C)c12 ZINC000587862858 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCNC(=O)OC(C)(C)C ZINC000587862860 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000587862953 IJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000587862954 IJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2nc(C)cc2C)o1 ZINC000587862960 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000587862968 IJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000587862969 IJ Annotated Bother COc1ccc(-c2cc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)n[nH]2)cc1 ZINC000587863032 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000587863055 IJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccc2c(=O)n1C1CC1 ZINC000587863102 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncccc1-c1nc(C2CC2)no1 ZINC000587863137 IJ Annotated Anodyne CCc1ccc(-c2cnnc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)cc1 ZINC000587863182 IJ Annotated Anodyne CCNc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1[N+](=O)[O-] ZINC000587863183 IJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587863195 IJ Annotated Bother CCOC(=O)c1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)c([N+](=O)[O-])c1 ZINC000587863238 IJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(C)c(Cc2ccccc2)c(O)n1 ZINC000587863277 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2c1cnn2-c1ccccc1 ZINC000587863345 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000587863407 IJ Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000587863408 IJ Annotated Bother CCc1cc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc(-c2ccccn2)n1 ZINC000587863415 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nc2ccccc2[nH]1 ZINC000587863433 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)cn1C ZINC000587863540 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000587863562 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(Br)cnc1OC ZINC000587863572 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccnc(Br)c1 ZINC000587863584 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ncccc1Br ZINC000587863616 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nc2ccccc2n1C ZINC000587863632 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCCN(C)c1ccccc1 ZINC000587863668 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000587864019 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Cn1cc(Cl)cn1 ZINC000587864020 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Cn1cc(Cl)cn1 ZINC000587864021 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000587864026 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000587864045 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000587864047 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Nc1nc2ccccc2s1 ZINC000587864069 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Nc1nc2ccccc2s1 ZINC000587864071 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSCC(=O)Nc1ccccc1 ZINC000587864367 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cnn(C(C)(C)C)c(=O)c1Cl ZINC000587864385 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn2cc(Cl)ccc2n1 ZINC000587864410 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc(OC)ccc1Cl ZINC000587864419 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)nc2onc(C)c12 ZINC000587864454 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cncn1-c1ccc(F)cc1 ZINC000587864459 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCNC(=O)OC(C)(C)C ZINC000587864541 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C(F)(F)F)nn1CC ZINC000587864718 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000587864791 IJ Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000587864792 IJ Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cncc(Br)c1 ZINC000587864917 IJ Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2cc3c(cc2s1)OCCO3 ZINC000587864959 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)c[nH]1 ZINC000587864975 IJ Annotated Anodyne CCOC(=O)c1ccc(NC(=S)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 ZINC000587864983 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncc(N)cc1Br ZINC000587864989 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cccc(N(C)C)c1 ZINC000587865133 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C(F)(F)F)cc1C ZINC000587865148 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cc(F)ccc1F ZINC000587865149 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(F)cc(C(=O)N(C)C)cc1F ZINC000587865151 IJ Annotated Anodyne CCCn1cc(Cl)c(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)n1 ZINC000587865187 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCNC(=O)OC(C)(C)C ZINC000587865249 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 ZINC000587865260 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc2c(c1)OCO2 ZINC000587865261 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cnn(C(C)C)c(=O)c1Cl ZINC000587865351 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C(F)(F)F)n(CC)n1 ZINC000587865358 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C(F)F)cc1C ZINC000587865368 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1ccc(F)cc1F ZINC000587865408 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000587865538 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nncc(-c2ccc(OC)cc2)n1 ZINC000587865592 IJ Annotated Anodyne CCNc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1[N+](=O)[O-] ZINC000587865724 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(-n2nc(C)cc2C)nn1 ZINC000587865730 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nncc(-c2cccc(OC)c2)n1 ZINC000587865767 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000587865769 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000587865782 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] ZINC000587865783 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(-c2ccccc2)cc1O ZINC000587865794 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn(-c2cccc(C)n2)cn1 ZINC000587865809 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000587865810 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000587865816 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000587865890 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000587865901 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000587865902 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CNc1cccc([N+](=O)[O-])c1 ZINC000587865965 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000587865986 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000587865997 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccccc2c(=O)n1CC ZINC000587866034 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(=O)(=O)O)cc1Cl ZINC000587866187 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1=NCc2cnn(C(C)(C)C)c2N1 ZINC000587866201 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(Cl)cc1Cl ZINC000587866307 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NOCc1cccc(OC)c1 ZINC000587866327 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(Br)cc2n[nH]cc12 ZINC000587866388 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)nc2c1c(C)nn2C ZINC000587866391 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccc(-c2cn(CC)nc2C)n1 ZINC000587866396 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cc(C)ccc1Cl ZINC000587866398 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000587866436 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccc(Br)cc1 ZINC000587866443 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(Cl)c(C)c1 ZINC000587866569 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc2nc(NN)sc2c1 ZINC000587866586 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Br)cc1[N+](=O)[O-] ZINC000587866635 IJ Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCCc1cccs1 ZINC000587866648 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(O)c2cnn(C(C)(C)C)c2n1 ZINC000587866779 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cccc(Cl)c1Cl ZINC000587866809 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C)c(Br)c1 ZINC000587866830 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSC(=S)N1CCCC1 ZINC000587866833 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc(Br)cc1 ZINC000587866850 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccc(Br)cc2[nH]1 ZINC000587866856 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cc(Cl)ccc1Cl ZINC000587866871 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Cl)c(O)c(Cl)c1 ZINC000587866902 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCc1ccc(OC)cc1 ZINC000587866943 IJ Annotated Anodyne COc1c(Cl)cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1Cl ZINC000587867124 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cccc2ccccc12 ZINC000587867192 IJ Annotated Anodyne COc1ccc(Cl)c(NC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 ZINC000587867197 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000587867203 IJ Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc2c(c1)OCO2 ZINC000587867325 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc2ccccc2c1 ZINC000587867486 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C2CC2)cc(C2CC2)n1 ZINC000587867498 IJ Annotated Anodyne CCCCC(=O)Nc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587867535 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCC(=O)Nc1ccc(C)cc1C ZINC000587867544 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(OC2CCCC2)cc1 ZINC000587867552 IJ Annotated Anodyne CCOc1ccc(CC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1OCC ZINC000587867562 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1ccc(F)c(Cl)c1 ZINC000587867614 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccc(OCC(C)C)cc1 ZINC000587867638 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nc2ccc(C)cc12 ZINC000587867654 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000587867656 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000587867657 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCC(=O)Nc1cc(C)ccc1C ZINC000587867698 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587867724 IJ Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1cccc(C(F)(F)F)c1 ZINC000587867730 IJ Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1nc(C)c(Cl)c1C ZINC000587867764 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000587867847 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCC(=O)Nc1ccc(C)c(C)c1 ZINC000587867901 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000587867913 IJ Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1nc(C)c(Cl)c1C ZINC000587867965 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(F)ccc1Br ZINC000587868017 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000587868066 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000587868068 IJ Annotated Anodyne CCN(CC)Cc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587868112 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCSc1ccc(F)cc1 ZINC000587868178 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000587868316 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(F)cc(Br)c1 ZINC000587868347 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccccc2)o1 ZINC000587868471 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1Cc2c(ccc3ccccc23)O1 ZINC000587868487 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1Cc2c(ccc3ccccc23)O1 ZINC000587868488 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(F)c(Br)c1 ZINC000587868562 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000587868588 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccccc1C(F)(F)F ZINC000587868611 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(O)c(C(=O)O)cc2ccccc12 ZINC000587868649 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000587868689 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000587868762 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000587868783 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C(F)(F)F)nc2ccccc12 ZINC000587868864 IJ Annotated Anodyne COc1ccc(-c2ccnc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)cc1F ZINC000587868902 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(-c2ccccc2)n1C1CC1 ZINC000587868972 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccco2)cc(C(F)F)n1 ZINC000587869025 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000587869049 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000587869050 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(F)cc1Br ZINC000587869057 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccccc1Cl ZINC000587869061 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccccc1Cl ZINC000587869062 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1cccc2cccnc12 ZINC000587869077 IJ Annotated Anodyne CCc1ccc(-c2cc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n[nH]2)cc1 ZINC000587869183 IJ Annotated Anodyne COc1ccc(OC)c2sc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nc12 ZINC000587869198 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc(-c2ccccc2)cc1N ZINC000587869207 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C)cc1Br ZINC000587869220 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](CC)n1nc(C)c(Br)c1C ZINC000587869247 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](CC)n1nc(C)c(Br)c1C ZINC000587869248 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc(-c2ccccc2)n1 ZINC000587869304 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(Br)c(C)c1 ZINC000587869513 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)nc2sc3c(c12)CCC3 ZINC000587869586 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000587869596 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000587869597 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1nc(-c2ccccc2)cs1 ZINC000587869641 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000587869720 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000587869721 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1nc(C)c(Br)c1C ZINC000587869729 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1nc(C)c(Br)c1C ZINC000587869732 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(Br)ccc(OC)c1C ZINC000587869803 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nc2ccccc2o1 ZINC000587869868 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000587869879 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(Br)cc1C ZINC000587869922 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc(-c2cccs2)n1 ZINC000587869945 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cc(C)ccc2C)[nH]n1 ZINC000587869976 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Cn1nc(C)c(Br)c1C ZINC000587869980 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Cn1nc(C)c(Br)c1C ZINC000587869981 IJ Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCCc1ccc(Cl)cc1 ZINC000587870117 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2cnn(CC)c2)cc(C(F)(F)F)n1 ZINC000587870502 IJ Annotated Anodyne CCOc1ccc(NC(=O)CCC(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1 ZINC000587870529 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cn2cc(C(F)(F)F)ccc2n1 ZINC000587870548 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 ZINC000587870561 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000587870571 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 ZINC000587870594 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(Cl)cc2)n1 ZINC000587870628 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCCCCCCCCC(=O)NN ZINC000587870680 IJ Annotated Reactive CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2cccc(Cl)c2)n1 ZINC000587870738 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2cnn(CC)c2C)cc(C(F)F)n1 ZINC000587870835 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccnn1COc1ccccc1Cl ZINC000587870866 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccnn1COc1ccc(Cl)cc1 ZINC000587870899 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587870935 IJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ncc(C(F)(F)F)cc1Cl ZINC000587870962 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccco2)nc2onc(C)c12 ZINC000587870986 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000587871018 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000587871212 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000587871271 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccccc2OC)o1 ZINC000587871294 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000587871326 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(-c2cn(C)nc2C)cc(C(F)F)n1 ZINC000587871342 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(Br)cc1F ZINC000587871530 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC000587871569 IJ Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C ZINC000587871615 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2cccc(OC)c2)o1 ZINC000587871626 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O ZINC000587871652 IJ Annotated Anodyne O=C(c1cc(-c2cccc(Br)c2)[nH]n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587871754 IJ Annotated Anodyne CCOc1c(Br)cc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc1OC ZINC000587871791 IJ Annotated Anodyne Cc1c(C(=O)n2nc3cc2oc2ccc(F)cc32)cnn1-c1ccc(Br)cc1 ZINC000587872060 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc(N)sc1-c1ccc(Cl)cc1 ZINC000587872091 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(OC)cc2)o1 ZINC000587872411 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C ZINC000587872445 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2c1[nH]c1cc(OC)c(OC)cc12 ZINC000587872621 IJ Annotated Anodyne CCCCCn1nc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)c2ccccc2c1=O ZINC000587872653 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2cc(C)ccc2C)n1 ZINC000587872673 IJ Annotated Anodyne O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872889 IJ Annotated Anodyne O=C(c1cccc(Cn2cc(Br)cn2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872972 IJ Annotated Anodyne O=C(c1ccc(Cn2cc(Br)cn2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587872975 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2cc(C)cc(C)c2)n1 ZINC000587873080 IJ Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(CCC(C)C)c(=O)c2ccccc12 ZINC000587873193 IJ Annotated Anodyne O=C(c1cc(Br)c(Br)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873344 IJ Annotated Anodyne O=C(c1ccn(COc2cccc(C(F)(F)F)c2)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873546 IJ Annotated Anodyne CCn1cc(-c2cc(C(F)(F)F)nc(-n3nc4cc3oc3ccc(F)cc43)n2)c(C)n1 ZINC000587873644 IJ Annotated Anodyne O=C(c1nn(-c2ccccc2C(F)(F)F)cc1O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873830 IJ Annotated Anodyne Cc1cc(-c2ccc(Cl)cc2)nc2nc(C(=O)n3nc4cc3oc3ccc(F)cc43)nn12 ZINC000587874085 IJ Annotated Anodyne Cc1cc(C(F)(F)F)n(-c2nc(C(=O)n3nc4cc3oc3ccc(F)cc43)cs2)n1 ZINC000587874299 IJ Annotated Anodyne CCn1ncc(-c2cc(C(F)(F)F)nc(-n3nc4cc3oc3ccc(F)cc43)n2)c1C ZINC000587874312 IJ Annotated Anodyne O=C(COc1ccccc1C(=O)n1nc2cc1oc1ccc(F)cc21)Nc1ccccc1F ZINC000587874377 IJ Annotated Anodyne O=C(c1ccn(COc2ccc(F)c(Cl)c2)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874391 IJ Annotated Anodyne O=C(n1nc2cc1oc1ccc(F)cc21)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000587874426 IJ Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)o2)ccc1[N+](=O)[O-] ZINC000587874439 IJ Annotated Bother COc1ccc(Br)c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587874530 IJ Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CBr ZINC000587874559 IJ Annotated Reactive COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CBr)c1 ZINC000587874584 IJ Annotated Reactive Cc1ccc(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)o2)c([N+](=O)[O-])c1 ZINC000587874595 IJ Annotated Bother Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(CBr)c1 ZINC000587874680 IJ Annotated Reactive CC(C)(C)OC(=O)c1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587874825 IJ Annotated Mild N#Cc1ccc(Br)c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587874874 IJ Annotated Mild N#Cc1cccc(Br)c1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587874923 IJ Annotated Mild N#Cc1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000587874926 IJ Annotated Mild CC(C)Oc1ccc([N+](=O)[O-])cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587875003 IJ Annotated Mild N#Cc1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587875299 IJ Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1CBr ZINC000587875355 IJ Annotated Reactive O=S(=O)(NC1CCCCCCC1)c1ccc(-n2nc3cc2oc2ccc(F)cc32)nc1 ZINC000587875388 IJ Annotated Anodyne CC(C)(C)OC(=O)c1cccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587875672 IJ Annotated Mild CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2nc3cc2oc2ccc(F)cc32)nc1 ZINC000587875807 IJ Annotated Anodyne Cc1ccc(OCC(=O)n2nc3cc2oc2ccc(F)cc32)c(-n2nc3ccccc3n2)c1 ZINC000587875851 IJ Annotated Anodyne Cc1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)c2c(C)nn(-c3ccccc3)c2n1 ZINC000587875925 IJ Annotated Anodyne Nc1c([N+](=O)[O-])cc(Cl)c(Cl)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587876216 IJ Annotated Mild COc1ccc(-c2ccnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)n2)cc1 ZINC000587876277 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(=CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000587876483 IJ Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c(Cl)c1O ZINC000587876507 IJ Annotated Mild CCOC(=O)c1c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)oc2ccccc12 ZINC000587876617 IJ Annotated Mild Cc1c(-c2cc(C(=O)n3nc4cc3oc3ccc(F)cc43)c3ccccc3n2)cnn1C ZINC000587876945 IJ Annotated Anodyne CCOc1cc2c(cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl)O[C@@H](C)C2 ZINC000587877230 IJ Annotated Mild CCOc1cc2c(cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl)O[C@H](C)C2 ZINC000587877231 IJ Annotated Mild CCCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)cc1OCC ZINC000587877248 IJ Annotated Mild COC(=O)c1cc(Cl)c(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877482 IJ Annotated Mild COc1cc(Br)c(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877495 IJ Annotated Mild CCCCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)cc1OC ZINC000587877497 IJ Annotated Mild CCc1cc(Br)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877505 IJ Annotated Mild N#CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Br ZINC000587877546 IJ Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CC#N)cc1OCC ZINC000587877553 IJ Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000587877648 IJ Annotated Mild Cc1c(Br)cc(C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877696 IJ Annotated Mild Nc1c(Br)cc(Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877735 IJ Annotated Mild N#CCc1c(Br)cccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877745 IJ Annotated Mild N#CCc1cc(Br)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877810 IJ Annotated Mild CCCCNc1cc(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587878096 IJ Annotated Mild CCCNc1cc(OCC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587878115 IJ Annotated Mild CCOc1cc(NC(C)(C)C)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878188 IJ Annotated Mild CCCCNc1cc(OCC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587878261 IJ Annotated Mild COc1cc(NC(C)(C)C)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878263 IJ Annotated Mild COc1cc(C)c(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878313 IJ Annotated Mild CCCNc1cc(OCCC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587878337 IJ Annotated Mild COc1cc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878367 IJ Annotated Mild CCCOc1cc(NC(C)C)c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878373 IJ Annotated Mild COC(=O)c1ccc(C(C)(C)C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878378 IJ Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)OC(C)(C)C)c1 ZINC000587878472 IJ Annotated Mild COc1cc(C(=O)OC(C)(C)C)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878507 IJ Annotated Mild Cc1cc(C(=O)OC(C)(C)C)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878529 IJ Annotated Mild CC(C)(C)OC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c1 ZINC000587878575 IJ Annotated Mild Cc1cc(-n2cccc2C=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878755 IJ Annotated Mild Cc1cc(NC(=O)[C@H](C)Cl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878788 IJ Annotated Reactive Cc1cc(NC(=O)[C@@H](C)Cl)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878790 IJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1Oc1ccc(C(=O)O)o1 ZINC000587878842 IJ Annotated Mild CC(C)(C)[C@H]1COC(c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=N1 ZINC000587878882 IJ Annotated Mild CCOC(=O)c1ccc(OC(C)C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878963 IJ Annotated Mild CCCCOCCNc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879060 IJ Annotated Mild CC(=O)Oc1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(Cl)c12 ZINC000587879198 IJ Annotated Mild O=Cc1ccc(COc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587879221 IJ Annotated Mild CC(C)COc1ccc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879280 IJ Annotated Mild Cc1ccc(-n2cccc2C(=O)O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879286 IJ Annotated Mild Cc1ccc(NC(=O)[C@H](C)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879349 IJ Annotated Reactive Cc1ccc(NC(=O)[C@@H](C)Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879350 IJ Annotated Reactive COc1ccc(-c2ccncc2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879390 IJ Annotated Mild CCCCOCCOc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879484 IJ Annotated Mild CC(=O)n1cc(O)c2c(Cl)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587879592 IJ Annotated Mild CC(=O)Nc1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(Cl)c12 ZINC000587879643 IJ Annotated Mild CCOc1ccc(/C=C\C(C)=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879727 IJ Annotated Mild CCOc1ccc(/C=C/C(C)=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879728 IJ Annotated Mild COc1ccc(-c2ccccn2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879764 IJ Annotated Mild Nc1ccc(NCc2ccccc2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879775 IJ Annotated Mild CC(C)(C)Nc1ccc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879925 IJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C)c1NCc1ncc[nH]1 ZINC000587879975 IJ Annotated Mild Cc1ccc(-n2cccc2C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880086 IJ Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)c1ccccc1 ZINC000587880137 IJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)OC(C)(C)C ZINC000587880139 IJ Annotated Mild CC(C)(C)Oc1ccc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880146 IJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C)c1NCc1cc[nH]n1 ZINC000587880217 IJ Annotated Mild CCCCCNC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880227 IJ Annotated Mild CCCCNc1ccc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880362 IJ Annotated Mild N#Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCc1ccoc1 ZINC000587880555 IJ Annotated Mild CC(C)(C)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O ZINC000587880599 IJ Annotated Mild CCOc1c(Cl)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880623 IJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1OCC(C)C ZINC000587880629 IJ Annotated Mild Cc1ccc(N)cc1Oc1ncccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880640 IJ Annotated Mild N#Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1NC1CCCC1 ZINC000587880685 IJ Annotated Mild CC(C)CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587880739 IJ Annotated Mild CC(C)CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O ZINC000587880828 IJ Annotated Mild CC(C)=CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C=O ZINC000587880924 IJ Annotated Mild CC(C)(C)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880963 IJ Annotated Mild CC[C@H](C)COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C=O ZINC000587880990 IJ Annotated Mild CC(C)(C)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587881007 IJ Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)c1ccccc1 ZINC000587881079 IJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1-n1cccc1C(=O)O ZINC000587881095 IJ Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCC(C)C ZINC000587881203 IJ Annotated Mild CC(C)(C)Oc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587881248 IJ Annotated Mild Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)OC(C)(C)C ZINC000587881304 IJ Annotated Mild CC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(C)(C)C ZINC000587881344 IJ Annotated Mild CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1-n1ccc(C=O)c1 ZINC000587881374 IJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1-n1cccc1C=O ZINC000587881388 IJ Annotated Mild CCCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)OC ZINC000587881420 IJ Annotated Mild CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1-n1cccc1C=O ZINC000587881464 IJ Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NCc1ccccc1 ZINC000587881496 IJ Annotated Mild CCCc1nnc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)o1 ZINC000587881763 IJ Annotated Mild CCCCOCCNc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881820 IJ Annotated Mild CN(Cc1ccccc1)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccn1 ZINC000587881930 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C2(C(=O)O)CCCC2)c1 ZINC000587881976 IJ Annotated Mild CC(C)(C)OC(=O)NCc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881993 IJ Annotated Mild NCC1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)CCCCC1 ZINC000587882013 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OCC2CCOCC2)c1 ZINC000587882169 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OC[C@@H]2CCCCO2)c1 ZINC000587882237 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OC[C@H]2CCCCO2)c1 ZINC000587882238 IJ Annotated Mild CC(C)(C)[C@H]1COC(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)=N1 ZINC000587882247 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OCc2cccnc2)c1 ZINC000587882255 IJ Annotated Mild O=Cc1ccc(COc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)o1 ZINC000587882334 IJ Annotated Mild Cc1cc(C=O)c(C)n1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882375 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C2(C(=O)O)CCCCC2)c1 ZINC000587882399 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OCc2ccccn2)c1 ZINC000587882418 IJ Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1COC1CCC1 ZINC000587882999 IJ Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OCC(C)C)c1 ZINC000587883002 IJ Annotated Mild CCCCCNC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883033 IJ Annotated Mild N#CCc1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883051 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O)c(C(=O)c2ccccc2)c1 ZINC000587883085 IJ Annotated Mild CC(C)N(C(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(C)C ZINC000587883098 IJ Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[C@@H]1CCCCN1 ZINC000587883179 IJ Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[C@H]1CCCCN1 ZINC000587883180 IJ Annotated Mild CC(C)C[C@@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587883185 IJ Annotated Mild CC(C)C[C@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587883186 IJ Annotated Mild COC(=O)C1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CCCC1 ZINC000587883361 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nccc(CCl)n2)cc1 ZINC000587883362 IJ Annotated Reactive CCCc1nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)no1 ZINC000587883419 IJ Annotated Mild Cc1nccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1C#N ZINC000587883496 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cnc3n2CCCC3)cc1 ZINC000587883511 IJ Annotated Mild CC(C)c1noc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587883519 IJ Annotated Mild CC(C)c1nnc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587883567 IJ Annotated Mild CC(C)(C)[C@H]1COC(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)=N1 ZINC000587883609 IJ Annotated Mild C=C(C)c1nnc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587883741 IJ Annotated Mild Nc1ccc2nc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)cn2c1 ZINC000587883761 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2(C(=O)O)CCCC2)cc1 ZINC000587883790 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(COc2ccc(O)cc2)cc1 ZINC000587883826 IJ Annotated Mild CC(C)(C)OC(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883830 IJ Annotated Mild CC(C)(C)OC(=O)NCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883884 IJ Annotated Mild COC[C@@H](OC(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884114 IJ Annotated Mild COC[C@H](OC(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884115 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C1(CCCCC1)C(=O)N2 ZINC000587884202 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](O)Cc2ccccc2)cc1 ZINC000587884326 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](O)Cc2ccccc2)cc1 ZINC000587884327 IJ Annotated Mild Nc1ccccc1C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884337 IJ Annotated Mild Cn1c2c(c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc31)CCCC2=O ZINC000587884346 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2oc3ccccc3c(=O)c2c1 ZINC000587884489 IJ Annotated Mild CCOC(C)(OCC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884623 IJ Annotated Mild O=Cc1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2nc1Cl ZINC000587884726 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)NC(=O)C21CCCCC1 ZINC000587884914 IJ Annotated Mild N#Cc1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2nc1Cl ZINC000587884979 IJ Annotated Mild CCOC(=O)c1coc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587885308 IJ Annotated Mild NC1(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CCCCC1 ZINC000587885312 IJ Annotated Mild CCCO[C@H](COC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885355 IJ Annotated Mild CCCO[C@@H](COC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885356 IJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1NC(=O)OC(C)(C)C ZINC000587885414 IJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1OCc1ccccc1 ZINC000587885450 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1CCl)OCCCO2 ZINC000587885666 IJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(C(=O)O)o2)cc1 ZINC000587885774 IJ Annotated Mild CCCCOCCNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885896 IJ Annotated Mild CC(=O)COc1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 ZINC000587886020 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000587886031 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC[C@H]2CCCCO2)cc1 ZINC000587886032 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(Cl)c([N+](=O)[O-])cnc2c1 ZINC000587886169 IJ Annotated Mild O=Cc1ccc(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587886431 IJ Annotated Mild CCOC(=O)c1oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1C ZINC000587886516 IJ Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2cc(C(C)=O)oc12 ZINC000587886536 IJ Annotated Mild COC(=O)c1ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1 ZINC000587886567 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2[nH]c3c(c2c1)CCCC3=O ZINC000587886577 IJ Annotated Mild N#CCC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2o1 ZINC000587886631 IJ Annotated Mild Cc1cc(C=O)c(C)n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886655 IJ Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2ccccc12 ZINC000587886657 IJ Annotated Mild CCOC(=O)Cc1coc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886668 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000587886673 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1 ZINC000587886697 IJ Annotated Mild CC(=O)Oc1c[nH]c2cc(Cl)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886707 IJ Annotated Mild Cc1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c2c1C[C@H](C)O2 ZINC000587886712 IJ Annotated Mild Cc1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c2c1C[C@@H](C)O2 ZINC000587886776 IJ Annotated Mild CCOc1cc2oc(C(=O)O)cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886884 IJ Annotated Mild CCOC(=O)c1coc2c(C)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886948 IJ Annotated Mild Cc1c(C(=O)O)oc2c(C)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886961 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2cnn([C@H]3CCCCO3)c2c1 ZINC000587887000 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2cnn([C@@H]3CCCCO3)c2c1 ZINC000587887001 IJ Annotated Mild CN(Cc1ccccc1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887179 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(O)cc2)nc1 ZINC000587887408 IJ Annotated Mild Cc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1NC(=O)OC(C)(C)C ZINC000587887519 IJ Annotated Mild COc1cccc(Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1 ZINC000587887523 IJ Annotated Mild Cc1ccc(Oc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 ZINC000587887543 IJ Annotated Mild CCC(CC)Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587887586 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCc2ccccc2)nc1 ZINC000587887636 IJ Annotated Mild Cc1cccc(Oc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1 ZINC000587887699 IJ Annotated Mild CCCn1c(C)nc2cc(C#N)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888004 IJ Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc(C(C)=O)oc12 ZINC000587888027 IJ Annotated Mild COC(=O)c1cccc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587888176 IJ Annotated Mild CC(=O)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(Cl)cccc21 ZINC000587888630 IJ Annotated Mild CC(C)n1cnc2cc(C#N)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c21 ZINC000587888738 IJ Annotated Mild COc1ccc2cc(CC#N)ccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888776 IJ Annotated Mild CCOC(=O)c1oc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2c1C ZINC000587888984 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2cc[nH]c2c1 ZINC000587889029 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCc2ccccc2)cn1 ZINC000587889117 IJ Annotated Mild COc1ccc2cc(C=O)ccc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889186 IJ Annotated Mild COc1cc2ccccc2c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587889369 IJ Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc(C)oc12 ZINC000587889543 IJ Annotated Mild Cc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NC(=O)OC(C)(C)C ZINC000587890050 IJ Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2oc(CCl)nc2c1 ZINC000587890138 IJ Annotated Reactive CCOC(=O)c1cc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2o1 ZINC000587890181 IJ Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2oc(C(C)=O)cc2c1 ZINC000587890297 IJ Annotated Mild COc1ccc(OC(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587891368 IJ Annotated Mild N#CCc1cc(OC(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891441 IJ Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000587891457 IJ Annotated Mild CC(=O)Nc1ccc(C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891471 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000587891473 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000587891511 IJ Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCCCCF ZINC000587891572 IJ Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC(F)(F)F)c1 ZINC000587891580 IJ Annotated Mild CC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)F ZINC000587891600 IJ Annotated Mild O=NCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000587891663 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000587891678 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)c2[nH]cnc2c1 ZINC000587891776 IJ Annotated Mild Nc1ccc(SC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891818 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1OC(F)(F)F ZINC000587891828 IJ Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891884 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)C(F)F)cc1 ZINC000587891903 IJ Annotated Mild N#CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC(F)(F)F ZINC000587891952 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)ccc1S ZINC000587891999 IJ Annotated Mild CC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000587892010 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000587892012 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)cc2nc[nH]c12 ZINC000587892032 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000587892042 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2nc(C(F)(F)F)[nH]c12 ZINC000587892050 IJ Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)(F)F ZINC000587892062 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000587892072 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S)c(OC(F)(F)F)c1 ZINC000587892091 IJ Annotated Mild N#CCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)(F)F ZINC000587892093 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2oc(C(F)(F)F)nc12 ZINC000587892120 IJ Annotated Mild C#Cc1ccc(OC(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892121 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000587892162 IJ Annotated Mild COC(=O)c1ccc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587892169 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(F)(F)OC(F)(F)O2 ZINC000587892180 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(COCC(F)(F)F)c1 ZINC000587892240 IJ Annotated Mild N[C@H](CC(F)(F)F)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587892259 IJ Annotated Mild N[C@@H](CC(F)(F)F)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587892260 IJ Annotated Mild COc1c(C#N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892262 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2(O)CC2)cc1C(F)(F)F ZINC000587892265 IJ Annotated Mild COC(=O)c1cc(C(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892271 IJ Annotated Mild Nc1cc(SC(F)(F)F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587892285 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](O)CC(F)(F)F)cc1 ZINC000587892308 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](O)CC(F)(F)F)cc1 ZINC000587892309 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OC(F)(F)C(F)F)c1 ZINC000587892326 IJ Annotated Mild C[C@@H](NCC(F)F)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1F ZINC000587892333 IJ Annotated Mild C[C@H](NCC(F)F)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1F ZINC000587892335 IJ Annotated Mild N#CCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892354 IJ Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC(F)(F)F)c1 ZINC000587892391 IJ Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587892410 IJ Annotated Mild CN(C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892430 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587892431 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])c(F)c1C(F)(F)F ZINC000587892519 IJ Annotated Mild CN(C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587892529 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000587892537 IJ Annotated Mild COc1ccc(C(F)(F)F)c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587892543 IJ Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C)c1NCC(F)F ZINC000587892583 IJ Annotated Mild N#CCc1cc(C(F)(F)F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892674 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000587892682 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000587892723 IJ Annotated Mild CC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892726 IJ Annotated Mild CC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892777 IJ Annotated Mild O=C=Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892808 IJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nccc(OC(F)F)c2c1 ZINC000587892820 IJ Annotated Mild Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1NC(=O)C(F)(F)F ZINC000587892852 IJ Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587892916 IJ Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1F ZINC000587892918 IJ Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(F)(F)F ZINC000587892935 IJ Annotated Mild CC(C)Nc1cc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587892952 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(CC(F)(F)F)[nH]c2c1 ZINC000587892967 IJ Annotated Mild COc1ccc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1F ZINC000587892987 IJ Annotated Mild COc1ccc(Br)c(F)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893010 IJ Annotated Mild COC(=O)c1ccc(C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893016 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000587893083 IJ Annotated Mild N#CCc1ccc(C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893101 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587893195 IJ Annotated Mild N[C@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)CC(F)(F)F ZINC000587893281 IJ Annotated Mild N[C@@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)CC(F)(F)F ZINC000587893289 IJ Annotated Mild O=CC1(COc2cccc(F)c2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CCC1 ZINC000587893299 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000587893304 IJ Annotated Mild CC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587893306 IJ Annotated Mild N#CCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 ZINC000587893343 IJ Annotated Mild CCCNc1cc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587893396 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)Nc2ccccc2F)o1 ZINC000587894069 IJ Annotated Mild O=Cc1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2F)o1 ZINC000587894204 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c([C@@H](O)c2ccccc2)c1 ZINC000587894764 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c([C@H](O)c2ccccc2)c1 ZINC000587894765 IJ Annotated Mild CC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)s1 ZINC000587895139 IJ Annotated Mild CCn1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cnc1S ZINC000587895233 IJ Annotated Mild CC(C)(Sc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587895299 IJ Annotated Mild COP(=O)(Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)OC ZINC000587895328 IJ Annotated Mild CC(=O)c1scc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Br ZINC000587895504 IJ Annotated Mild O=C(O)CCCSc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896205 IJ Annotated Mild CCCC[S@@](=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896245 IJ Annotated Mild CCCC[S@](=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896250 IJ Annotated Mild CCOC(=O)c1cc2c(F)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000587896384 IJ Annotated Mild Nc1ccc(Sc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc1 ZINC000587896925 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(SC[C@@H]2CCCN2)cc1 ZINC000587897282 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(SC[C@H]2CCCN2)cc1 ZINC000587897286 IJ Annotated Mild Nc1sccc1C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897291 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)c2cccs2)c1 ZINC000587897397 IJ Annotated Mild COc1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587897398 IJ Annotated Mild N#CCc1nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cs1 ZINC000587897402 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CCCCl)s1 ZINC000587897455 IJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(C(=O)O)n2)cc1 ZINC000587897457 IJ Annotated Mild CC(C)(C)OC(=O)Nc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1 ZINC000587897494 IJ Annotated Mild COc1sc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897527 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2nc(C(=O)O)cs2)c1 ZINC000587897542 IJ Annotated Mild O=Cc1csc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587897589 IJ Annotated Mild Cc1sc(N)nc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897639 IJ Annotated Mild O=Cc1csc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)n1 ZINC000587897645 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(-c2noc(CCl)n2)c1 ZINC000587897658 IJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2csc(C(=O)O)n2)c1 ZINC000587897676 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)c2ccccc2)s1 ZINC000587897683 IJ Annotated Mild O=Cc1csc(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587897688 IJ Annotated Mild C[C@H](N)c1nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cs1 ZINC000587897691 IJ Annotated Mild C[C@@H](N)c1nc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cs1 ZINC000587897692 IJ Annotated Mild COc1ccc(Oc2nc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)cc1 ZINC000587897724 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nnc(CCl)o2)s1 ZINC000587897774 IJ Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1nc(C(=O)O)cs1 ZINC000587897802 IJ Annotated Mild COC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2s1 ZINC000587898294 IJ Annotated Mild O=C(O)Cc1csc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587898310 IJ Annotated Mild Nc1ncc(Sc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)s1 ZINC000587898345 IJ Annotated Mild COC(=O)c1cc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2s1 ZINC000587898391 IJ Annotated Mild Cc1nc(Cl)c2sc(C)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587898457 IJ Annotated Mild CCN[C@H]1CCSc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587898925 IJ Annotated Mild CCN[C@@H]1CCSc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587898926 IJ Annotated Mild CC(C)(C)OC(=O)Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587899021 IJ Annotated Mild COC(=O)c1cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2s1 ZINC000587899084 IJ Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cn3c(n2)SCC3)cc1 ZINC000587899119 IJ Annotated Mild O=Cc1cnc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)s1 ZINC000587899162 IJ Annotated Mild COC(=O)c1cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2s1 ZINC000587899180 IJ Annotated Mild C[C@H](O)c1cnc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)s1 ZINC000587899274 IJ Annotated Mild C[C@@H](O)c1cnc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)s1 ZINC000587899275 IJ Annotated Mild COC(=O)c1cc(Br)c(Cl)c(C#Cc2cc(Cl)ccc2OC)c1O ZINC000587899343 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(O)c(Br)c1O ZINC000587899503 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)cc(Br)c1O ZINC000587899603 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(O)c(Br)c1N ZINC000587900285 IJ Annotated Mild COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(Cl)c(Br)c1O ZINC000587900432 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N)c(Br)cc(Br)c1O ZINC000587900451 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(N)c(Br)c1O ZINC000587900455 IJ Annotated Mild COC(=O)c1c(Br)cc(Cl)c(N)c1C#Cc1cc(Cl)ccc1OC ZINC000587900494 IJ Annotated Mild COC(=O)c1c(C#Cc2cc(Cl)ccc2OC)cc(Cl)c(N)c1Br ZINC000587901001 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1-c1nn(-c2ccncc2)cc1C(=O)O ZINC000587901919 IJ Annotated Mild CCn1c(NCc2cc(C#Cc3cc(Cl)ccc3OC)ccc2O)nc2ccccc21 ZINC000587901987 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(Cc2cc(C(=O)O)c3ccccc3n2)c1C ZINC000587903041 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1NC(=O)Nc1ccc(C#N)c2[nH]nnc12 ZINC000587903154 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C=O)c(OCCCO[C@H]2CCCCO2)c1 ZINC000587903964 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C=O)c(OCCCO[C@@H]2CCCCO2)c1 ZINC000587903965 IJ Annotated Mild COc1ccc([C@@H](c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)N2CCNCC2)cc1 ZINC000587906211 IJ Annotated Mild COc1ccc([C@H](c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)N2CCNCC2)cc1 ZINC000587906212 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(CN2C(=O)CCc3c(C)nc(C)nc32)cc1 ZINC000587906248 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)C2 ZINC000587908311 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)COC21CN(C(=O)OC(C)(C)C)C1 ZINC000587908895 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000587909231 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000587909307 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc2c1N/C(=C\Cl)NC2=O ZINC000587909968 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc2c1N/C(=C/Cl)NC2=O ZINC000587909969 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c2c(c1)C(=O)N/C(=C/Cl)N2 ZINC000587910318 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c2c(c1)C(=O)N/C(=C\Cl)N2 ZINC000587910319 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000587910486 IJ Annotated Reactive COc1ccc(Cl)cc1C#Cc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000587910487 IJ Annotated Reactive COc1ccc(Cl)cc1C#Cc1cccc(CNCc2cccc(Br)n2)n1 ZINC000587910868 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)c(Br)nc(Br)c1N ZINC000587911444 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1nn(Cc2ccccc2)c(Br)c1[N+](=O)[O-] ZINC000587911470 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1c([N+](=O)[O-])c(Br)nn1Cc1ccccc1 ZINC000587911472 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)c(N)c(Br)c1C ZINC000587911922 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)c(C)c(Br)c1N ZINC000587911936 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2n1CCC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000587912678 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CCC[C@H](Br)C2=O)cc1C ZINC000587912694 IJ Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(N2CCC[C@@H](Br)C2=O)cc1C ZINC000587912698 IJ Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(-c2n[nH]c(N)c2-c2ccc3c(c2)OCO3)o1 ZINC000587912773 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)ccc1S(=O)(=O)Cl ZINC000587914582 IJ Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc(F)ccc1-n1c(S)nc2ccccc2c1=O ZINC000587916196 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(I)cc(Cl)cn12 ZINC000587917100 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(I)c([N+](=O)[O-])c1Cl ZINC000587917268 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)ccc1I ZINC000587917296 IJ Annotated Mild CCc1[nH]c2ncc(C#Cc3cc(Cl)ccc3OC)cc2c1I ZINC000587917423 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(C#N)c1I ZINC000587917658 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(I)cc2c1Cl ZINC000587917689 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC(F)F)ccc1I ZINC000587917724 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(I)cc(Br)n1 ZINC000587917752 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(I)c(Br)n1 ZINC000587917923 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(I)c[nH]c2c(Cl)n1 ZINC000587917986 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(I)c([N+](=O)[O-])c1 ZINC000587918008 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(OC(C)C)c(I)c1 ZINC000587918085 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)cc(Br)c1S(=O)(=O)Cl ZINC000587918147 IJ Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)c(Br)cc1C ZINC000587918437 IJ Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc(C)c(Br)cc1S(=O)(=O)Cl ZINC000587918516 IJ Annotated Unstable COc1ccc(Cl)cc1C#Cc1csc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000587918645 IJ Annotated Mild C=CCn1c(S)nnc1[C@H](C)Oc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 ZINC000587918884 IJ Annotated Mild C=CCn1c(S)nnc1[C@@H](C)Oc1ccc(C#Cc2cc(Cl)ccc2OC)cc1 ZINC000587918885 IJ Annotated Mild CCOC(=O)C(=Cc1sccc1CC#Cc1cc(Cl)ccc1OC)C(=O)OCC ZINC000587919184 IJ Annotated Mild CNc1ccc(Cl)c(CN(C)Cc2cc(C#Cc3cc(Cl)ccc3OC)cs2)n1 ZINC000587919317 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc2c1ccn2S(=O)(=O)c1ccc(C)cc1 ZINC000587919386 IJ Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000587920990 IJ Annotated Mild COC(=O)c1sc2nc(-c3ccccn3)c(C#Cc3cc(Cl)ccc3OC)cc2c1N ZINC000587921058 IJ Annotated Mild CCN1C(=O)/C(=C\c2cc(C#Cc3cc(Cl)ccc3OC)ccc2O)SC1=S ZINC000587921110 IJ Annotated Mild CNS(=O)(=O)c1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 ZINC000587921804 IJ Annotated Clean CN(c1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cc1)S(C)(=O)=O ZINC000587922852 IJ Annotated Anodyne Cc1cc(-c2csc(-c3cccc(S(N)(=O)=O)c3)n2)c(C)n1-c1ccccc1F ZINC000587922932 IJ Annotated Clean CN(c1ccc(-c2csc(COc3cccc(C(F)(F)F)c3)n2)cc1)S(C)(=O)=O ZINC000587923059 IJ Annotated Anodyne CC[C@H](OC(=O)c1ccccc1)c1nc(-c2ccc(N(CC)S(C)(=O)=O)cc2)cs1 ZINC000587923398 IJ Annotated Anodyne CC[C@@H](OC(=O)c1ccccc1)c1nc(-c2ccc(N(CC)S(C)(=O)=O)cc2)cs1 ZINC000587923402 IJ Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(C(F)(F)F)nc3)n2)cc1)S(C)(=O)=O ZINC000587923470 IJ Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(Br)cc3F)n2)cc1)S(C)(=O)=O ZINC000587923478 IJ Annotated Anodyne CCN(c1ccc(-c2csc(COc3ccc(F)cc3Cl)n2)cc1)S(C)(=O)=O ZINC000587923565 IJ Annotated Anodyne CCN(c1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1)S(C)(=O)=O ZINC000587923589 IJ Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(Br)cc3F)n2)cc1 ZINC000587923714 IJ Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000587923765 IJ Annotated Anodyne Cc1cc(Br)ccc1-c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000587923809 IJ Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(COc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000587923932 IJ Annotated Anodyne CN(c1ccc(-c2csc(Cc3ccccc3Br)n2)cc1)S(C)(=O)=O ZINC000587923964 IJ Annotated Anodyne CC[C@H](OC(=O)c1ccccc1)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000587923981 IJ Annotated Anodyne CC[C@@H](OC(=O)c1ccccc1)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000587923982 IJ Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(Cc3ncc(C(F)(F)F)cc3Cl)n2)cc1 ZINC000587923998 IJ Annotated Anodyne CN(c1ccc(-c2csc(COc3ccc(F)cc3Cl)n2)cc1)S(C)(=O)=O ZINC000587924004 IJ Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(COc3cccc(OC(F)(F)F)c3)n2)cc1 ZINC000587924023 IJ Annotated Anodyne Cc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c(Br)c1 ZINC000587924026 IJ Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(C(N)=S)c4ccccc34)n2)cc1 ZINC000587924245 IJ Annotated Anodyne COc1ccc(CCCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1OC ZINC000587924914 IJ Annotated Clean COc1cc(C2(c3nc4c(Br)cnc(Br)c4[nH]3)CC2)ccc1C ZINC000587925299 IJ Annotated Anodyne COc1ccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587925504 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Cc3ccc(OC)c(OC)c3)nc2c1 ZINC000587925568 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Cc3ccc(OC)c(OC)c3)nc2c1 ZINC000587925572 IJ Annotated Anodyne COc1ccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1OC ZINC000587925586 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(c4ccc(C)c(OC)c4)CC3)nc2c1 ZINC000587925900 IJ Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1OC ZINC000587926077 IJ Annotated Anodyne COc1cc(C2(c3nc4c(I)cnc(Cl)c4[nH]3)CC2)ccc1C ZINC000587926552 IJ Annotated Anodyne COc1ccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1OC ZINC000587926694 IJ Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1OC ZINC000587927017 IJ Annotated Clean COc1ccc(C[C@@H](C)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1OC ZINC000587927023 IJ Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(CCCc3ccc(OC)c(OC)c3)nc2c1 ZINC000587927332 IJ Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1OC ZINC000587927352 IJ Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1OC ZINC000587927571 IJ Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(F)cnc(Br)c4[nH]3)c(O)c2)cc1OC ZINC000587927614 IJ Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587927661 IJ Annotated Clean CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587927662 IJ Annotated Clean COc1ccc(-c2ccc(-c3nc4cncc(Br)c4[nH]3)c(O)c2)cc1OC ZINC000587928061 IJ Annotated Anodyne COc1ccc(-c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2C)c(OC)c1 ZINC000587928597 IJ Annotated Anodyne COC(=O)c1cc2[nH]c(C(=O)Cc3ccccc3OC)nc2c(F)c1Nc1ccccc1 ZINC000587928864 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C/C=C/c3ccc(OC)cc3OC)nc2c1 ZINC000587929083 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C/C=C\c3ccc(OC)cc3OC)nc2c1 ZINC000587929086 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCCc3ccc(OC)cc3OC)nc2c1 ZINC000587929127 IJ Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587929180 IJ Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587929181 IJ Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587929182 IJ Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587929183 IJ Annotated Anodyne COc1ccc(CCCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(OC)c1 ZINC000587929535 IJ Annotated Clean COc1cccc([C@H](C)Cc2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587929579 IJ Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587929584 IJ Annotated Anodyne COc1cccc(CCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000587930032 IJ Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c[nH]c(=N)[nH]c-4n3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930403 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@]3(C)c3ccccc3OC)nc2c1 ZINC000587930753 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@]3(C)c3ccccc3OC)nc2c1 ZINC000587930754 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@]3(C)c3ccccc3OC)nc2c1 ZINC000587930755 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@]3(C)c3ccccc3OC)nc2c1 ZINC000587930757 IJ Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 ZINC000587930924 IJ Annotated Anodyne COc1cccc(C(=O)c2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)c1 ZINC000587931228 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(c4cccc(OC)c4)CCCC3)nc2c1 ZINC000587931229 IJ Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000587931319 IJ Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(N)ncnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931325 IJ Annotated Anodyne COc1cccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000587931411 IJ Annotated Anodyne COc1cccc(CCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 ZINC000587931414 IJ Annotated Anodyne COc1cccc([C@H](C)Cc2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587932012 IJ Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587932013 IJ Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000587932201 IJ Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cnnc(O)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932437 IJ Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000587932632 IJ Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587932680 IJ Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587932681 IJ Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587932682 IJ Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587932683 IJ Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)c1 ZINC000587932827 IJ Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(O)ncnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933355 IJ Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)c1 ZINC000587933394 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CCc4ccc(OC)cc4C3)nc2c1 ZINC000587933926 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CCc4ccc(OC)cc4C3)nc2c1 ZINC000587933927 IJ Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587934023 IJ Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587934025 IJ Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587934026 IJ Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587934027 IJ Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587934080 IJ Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587934081 IJ Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934548 IJ Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)ccc2c1 ZINC000587934674 IJ Annotated Anodyne COc1cccc(-c2cc(O)n(-c3c(Br)cccc3-c3cnn(C)c3)c2O)c1 ZINC000587934879 IJ Annotated Anodyne COc1ccc(C2(c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)CC3(CCC3)C2)cc1 ZINC000587934905 IJ Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3cccc(F)c3)c2O)cn1 ZINC000587934972 IJ Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OC)cc(C(C)=O)c1OC ZINC000587935329 IJ Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(CSC(C)=O)c1O ZINC000587935378 IJ Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1NCc1ccccc1Br ZINC000587935415 IJ Annotated Anodyne COc1ccc(C2(c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935458 IJ Annotated Anodyne Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587935469 IJ Annotated Clean Cn1cc(-c2cccc(Br)c2-n2c(O)ccc2OCCc2ccccc2)cn1 ZINC000587935541 IJ Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3ccc(F)cc3)c2O)c(Cl)cc1Br ZINC000587935559 IJ Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccc(F)cc3)c2O)cn1 ZINC000587935594 IJ Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587935635 IJ Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(-c3ccccc3F)c2O)cn1 ZINC000587935655 IJ Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587935825 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CC3=CCCc4cc(OC)ccc43)nc2c1 ZINC000587935954 IJ Annotated Anodyne CC(C)Oc1ccc(OC(C)C)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587936010 IJ Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc(I)cnc4[nH]3)ccc2c1 ZINC000587936117 IJ Annotated Anodyne C=CCOc1ccc(OCC=C)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587936145 IJ Annotated Mild CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccccc4Br)c3O)c2)=N1 ZINC000587936163 IJ Annotated Anodyne COc1ccc(C2(c3nc4cc(I)cnc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936230 IJ Annotated Anodyne COc1ccccc1-c1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587936559 IJ Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(Br)c2[N+](=O)[O-])cc1 ZINC000587936768 IJ Annotated Clean COc1ccc(-c2cc(O)n(-c3c(Br)cccc3-c3cnn(C)c3)c2O)cc1 ZINC000587936882 IJ Annotated Anodyne COc1cc(C)c(OC)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936954 IJ Annotated Mild CC1(C)COC(c2cccc(-n3c(O)cc(-c4cccc(Br)c4)c3O)c2)=N1 ZINC000587937135 IJ Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3c(Br)cnc(Br)c3[nH]1)CC2 ZINC000587937265 IJ Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3c(Br)cnc(Br)c3[nH]1)CC2 ZINC000587937266 IJ Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1NCc1ccccc1Br ZINC000587937273 IJ Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3cccc(F)c3)c2O)c(Cl)cc1Br ZINC000587937394 IJ Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(Cc3ccccc3)c2O)c(Cl)cc1Br ZINC000587937403 IJ Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587937501 IJ Annotated Anodyne O=C1Cc2c3c(n(-c4cccc(-c5ccc(OCc6ccccc6)cc5)c4)c2O1)OC(=O)C3 ZINC000587937502 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](C)[C@H](O)c4ccc(OC)cc4)[nH]c3c2)cc1 ZINC000587937629 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](C)[C@@H](O)c4ccc(OC)cc4)[nH]c3c2)cc1 ZINC000587937630 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)[C@@H](O)c4ccc(OC)cc4)[nH]c3c2)cc1 ZINC000587937631 IJ Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)[C@H](O)c4ccc(OC)cc4)[nH]c3c2)cc1 ZINC000587937632 IJ Annotated Anodyne COC(=O)c1cc(-n2c(O)ccc2OCc2ccccc2)c(Cl)cc1Br ZINC000587937785 IJ Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3ccccc3F)c2O)c(Cl)cc1Br ZINC000587937797 IJ Annotated Anodyne CC1(C)COC(c2cccc(-n3c(O)cc(-c4ccc(Br)cc4)c3O)c2)=N1 ZINC000587938059 IJ Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587938332 IJ Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587938333 IJ Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587938399 IJ Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587938400 IJ Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587938473 IJ Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587938474 IJ Annotated Anodyne CSc1ccc(-c2ccc(C)n2-c2nn(-c3ncccn3)cc2Br)cc1 ZINC000587938841 IJ Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2cnc3cc(Br)ccc3c2)c1OCC ZINC000587938862 IJ Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587938868 IJ Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587938869 IJ Annotated Anodyne COc1ccccc1-c1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587938923 IJ Annotated Anodyne COc1ccccc1-c1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587938924 IJ Annotated Anodyne CN(C)[C@H](Cn1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O)c1cccc(Br)c1 ZINC000587939037 IJ Annotated Bother CN(C)[C@@H](Cn1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O)c1cccc(Br)c1 ZINC000587939038 IJ Annotated Bother COc1cccc(-c2cc(O)n(C[C@@H](c3cccc(Br)c3)N(C)C)c2O)c1 ZINC000587939040 IJ Annotated Anodyne COc1cccc(-c2cc(O)n(C[C@H](c3cccc(Br)c3)N(C)C)c2O)c1 ZINC000587939041 IJ Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cnc4cc(Br)ccc4c3)c2O)cc1 ZINC000587939046 IJ Annotated Bother CN(C)[C@@H](Cn1c(O)ccc1OCCc1ccccc1)c1cccc(Br)c1 ZINC000587939133 IJ Annotated Anodyne CN(C)[C@H](Cn1c(O)ccc1OCCc1ccccc1)c1cccc(Br)c1 ZINC000587939134 IJ Annotated Anodyne Oc1cc(-c2cccc(F)c2)c(O)n1-c1cc(Br)cnc1Br ZINC000587939147 IJ Annotated Anodyne O=C(O)c1cc(-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)c(Br)cn1 ZINC000587939235 IJ Annotated Anodyne Oc1ccc(OCCc2ccccc2)n1-c1cc(Br)cnc1Br ZINC000587939342 IJ Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(-c3cc(C(=O)O)ncc3Br)c2O)cc1 ZINC000587939374 IJ Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1NCc1ccccc1Br ZINC000587939449 IJ Annotated Anodyne CCOc1cc(-n2c(C)ccc2-c2ccc(S(C)(=O)=O)cc2)c(Cl)cc1C(=O)O ZINC000587939512 IJ Annotated Clean Oc1cc(-c2ccccc2F)c(O)n1-c1cc(Br)cnc1Br ZINC000587939602 IJ Annotated Anodyne CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587939809 IJ Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3c[nH]cc(Br)c3=O)c2C1 ZINC000587939954 IJ Annotated Anodyne COc1ccc(-c2cc3c(n2-c2c[nH]cc(Br)c2=O)CC(C)(C)CC3=O)cc1 ZINC000587940073 IJ Annotated Anodyne Oc1cc(-c2ccc(F)cc2)c(O)n1-c1cc(Br)cnc1Br ZINC000587940172 IJ Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccnc(CCl)n1 ZINC000587940923 IJ Annotated Reactive O=C1Cc2c3c(n(-c4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)c2O1)OC(=O)C3 ZINC000587940954 IJ Annotated Anodyne CCCCOc1ccc(OCCCC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941224 IJ Annotated Anodyne COc1ccc(-c2cc(O)n(C[C@@H](c3cccc(Br)c3)N(C)C)c2O)cc1 ZINC000587941317 IJ Annotated Anodyne COc1ccc(-c2cc(O)n(C[C@H](c3cccc(Br)c3)N(C)C)c2O)cc1 ZINC000587941318 IJ Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cnc2cc(Br)ccc2c1 ZINC000587941322 IJ Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cnc2cc(Br)ccc2c1 ZINC000587941323 IJ Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587941411 IJ Annotated Anodyne Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc2cnccc2c(Br)n1 ZINC000587941508 IJ Annotated Clean CCOc1cc(-n2c(CCC(=O)O)ccc2-c2ccc(OC)cc2)c(Cl)cc1C(=O)O ZINC000587941632 IJ Annotated Clean COc1c(Cc2ccccc2)cc(O)n1-c1cc(Br)cnc1Br ZINC000587941650 IJ Annotated Anodyne O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cc(C(=O)O)ncc1Br ZINC000587941747 IJ Annotated Anodyne O=C(O)CCc1ccc(-c2cccs2)n1-c1cc2cnccc2c(Br)n1 ZINC000587941885 IJ Annotated Clean O=c1c(Br)c[nH]cc1-n1c(OCc2ccccc2)cc(-c2ccccc2)c1O ZINC000587942378 IJ Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1OC ZINC000587942429 IJ Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943054 IJ Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(F)cc2)c1O ZINC000587943288 IJ Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1OCCc1ccccc1 ZINC000587943353 IJ Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2cccc(F)c2)c1O ZINC000587943360 IJ Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccccc2F)c1O ZINC000587943366 IJ Annotated Bother Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943477 IJ Annotated Bother CCOc1cc(C(C)=O)c(OCC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943530 IJ Annotated Bother COc1ccccc1-c1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O ZINC000587943633 IJ Annotated Bother COc1cccc(-c2cc(O)n(-c3c([N+](=O)[O-])cc(Br)c(F)c3C)c2O)c1 ZINC000587943676 IJ Annotated Bother CCOc1cc(CC(C)=O)c(OCC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943876 IJ Annotated Bother COc1ccc(-c2cc(O)n(-c3c([N+](=O)[O-])cc(Br)c(F)c3C)c2O)cc1 ZINC000587944005 IJ Annotated Bother CCOc1cc(C=O)c(OCC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587944012 IJ Annotated Anodyne Nc1ccc(-c2cc(O)n(-c3ccc(F)c(C(=O)OCc4ccccc4)c3F)c2O)cc1 ZINC000587944042 IJ Annotated Anodyne COc1cccc(-c2cc(O)n(-c3nc(-c4ccc(F)cc4NC(C)=O)cs3)c2O)c1 ZINC000587944099 IJ Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587944138 IJ Annotated Bother O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1nc(N2CCCCC2)ncc1F ZINC000587944187 IJ Annotated Anodyne COc1ccc(-c2cc(O)n(-c3nc(-c4ccc(F)cc4NC(C)=O)cs3)c2O)cc1 ZINC000587944200 IJ Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587944274 IJ Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1OC ZINC000587944286 IJ Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587944331 IJ Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587944495 IJ Annotated Anodyne COc1ccccc1-c1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587944548 IJ Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccccc3F)c2O)n1 ZINC000587944647 IJ Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2cccc(Br)c2)c1O ZINC000587944869 IJ Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2cccc(Br)c2)c1O ZINC000587944871 IJ Annotated Anodyne Nc1ccc(-c2cc(O)n(Cc3nc4ccccc4n3Cc3cccc(F)c3)c2O)cc1 ZINC000587945058 IJ Annotated Anodyne COc1c(Cc2ccccc2)cc(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945226 IJ Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587945487 IJ Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587945563 IJ Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587945642 IJ Annotated Anodyne Oc1ccc(OCCc2ccccc2)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945696 IJ Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccc(Br)cc2)c1O ZINC000587946118 IJ Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccc(Br)cc2)c1O ZINC000587946119 IJ Annotated Anodyne COc1ccc(-c2cc(O)n(-c3nn(COc4ccccc4F)cc3Cl)c2O)cc1 ZINC000587946135 IJ Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587946149 IJ Annotated Anodyne COc1ccccc1-c1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O ZINC000587946175 IJ Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccc(F)cc3)c2O)n1 ZINC000587946283 IJ Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2[C@@H](COc2cc(F)cc(F)c2)N=O)cc1 ZINC000587946562 IJ Annotated Clean COc1ccc(-c2ccc(CCC(=O)O)n2[C@H](COc2cc(F)cc(F)c2)N=O)cc1 ZINC000587946564 IJ Annotated Clean O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccccc2Br)c1O ZINC000587946566 IJ Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccccc2Br)c1O ZINC000587946569 IJ Annotated Anodyne COc1ccc(-c2ccc(CCC(=O)O)n2-c2cnc(Cc3ccc(F)cc3)nc2)cc1 ZINC000587946652 IJ Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587948456 IJ Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587949018 IJ Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587949338 IJ Annotated Anodyne Ic1cnc2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 ZINC000587949655 IJ Annotated Anodyne Clc1ncc(I)c2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587950023 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3CCC(OC[C@@H](C)OC)CC3)nc2c1 ZINC000587950226 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3CCC(OC[C@H](C)OC)CC3)nc2c1 ZINC000587950227 IJ Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]1)(C3)C2 ZINC000587950353 IJ Annotated Anodyne Brc1cnc(Br)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12 ZINC000587950360 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587951313 IJ Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)c(F)c(F)c4[nH]1)(C3)C2 ZINC000587951464 IJ Annotated Anodyne Clc1ncc(I)c2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 ZINC000587951560 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000587951646 IJ Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3c(Br)cnc(Br)c3[nH]2)CC1 ZINC000587952497 IJ Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3c(Br)cnc(Br)c3[nH]2)CC1 ZINC000587952498 IJ Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C#Cc3ccccc3)[nH]c2c1 ZINC000587953685 IJ Annotated Mild Ic1cnc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587954852 IJ Annotated Anodyne Ic1cnc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587954856 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587955498 IJ Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587955499 IJ Annotated Anodyne CCc1ccc(C(=O)CCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587955804 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCC(=O)c3ccc(CC)cc3)nc2c1 ZINC000587956370 IJ Annotated Anodyne CCc1ccc(C(=O)CCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587956427 IJ Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 ZINC000587957639 IJ Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 ZINC000587957666 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 ZINC000587959478 IJ Annotated Anodyne CC[C@@]1(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959903 IJ Annotated Anodyne CC[C@]1(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959906 IJ Annotated Anodyne CC[C@@]1(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960635 IJ Annotated Anodyne CC[C@]1(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960661 IJ Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c3c2)cc1 ZINC000587960916 IJ Annotated Anodyne CC[C@]1(Cc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961176 IJ Annotated Anodyne CC[C@@]1(Cc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961178 IJ Annotated Anodyne CC[C@@]1(Cc2nc3cccc(I)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961238 IJ Annotated Anodyne CC[C@]1(Cc2nc3cccc(I)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587961241 IJ Annotated Anodyne CC(C)CCOc1cc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2cc1Br ZINC000587962144 IJ Annotated Anodyne CC[C@@]1(Cc2nc3ccc(I)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962165 IJ Annotated Anodyne CC[C@]1(Cc2nc3ccc(I)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962167 IJ Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(O)nc(O)nc2[nH]1 ZINC000587964735 IJ Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(O)nc(O)nc2[nH]1 ZINC000587964737 IJ Annotated Mild CCCC/C=C/c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587964758 IJ Annotated Anodyne CCCC/C=C\c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587964759 IJ Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/C(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000587965233 IJ Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\C(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000587965234 IJ Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/C(=O)c4ccc(C)cc4)[nH]c3c2)cc1 ZINC000587966161 IJ Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\C(=O)c4ccc(C)cc4)[nH]c3c2)cc1 ZINC000587966163 IJ Annotated Mild O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)cc(OC(F)(F)F)c4[nH]1)(C3)C2 ZINC000587968339 IJ Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@]56C[C@H]7C[C@@H](C5)C(=O)[C@H](C7)C6)[nH]c4c3)o2)cc1 ZINC000587969289 IJ Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3c(Br)cnc(Br)c3[nH]2)CC1 ZINC000587969974 IJ Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(OC(F)(F)F)cc(Br)c4[nH]1)(C3)C2 ZINC000587970031 IJ Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(OC(F)(F)F)c(Br)cc4[nH]1)(C3)C2 ZINC000587970060 IJ Annotated Anodyne COC(=O)c1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587970165 IJ Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(c4ccccc4)CCC(=O)CC3)nc2c1 ZINC000587971049 IJ Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(c4ccccc4)CCC(=O)CC3)nc2c1 ZINC000587971243 IJ Annotated Anodyne CC[C@@H](Cn1cc(C)c2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl ZINC000059081367 IJ Annotated Anodyne COc1cc(Nc2cc(C#N)cn([C@@H](C)c3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1 ZINC000059150817 IJ Annotated Mild COC(=O)[C@H](C)[C@H](O)CC[C@](C)(O)CCC[C@@H](C)CCC(=O)C(C)(C)CCCC(C)=O ZINC000059205836 IJ Annotated Anodyne COC(=O)[C@H](C)[C@H](O)CC[C@](C)(O)CCC[C@H](C)CCC(=O)C(C)(C)CCCC(C)=O ZINC000059205838 IJ Annotated Anodyne COC(=O)C[C@@H](c1ccccc1)c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 ZINC000059729628 IJ Annotated Anodyne COC(=O)C[C@H](c1ccccc1)c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 ZINC000059729630 IJ Annotated Anodyne COC(=O)C[C@@H](c1ccccc1)c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 ZINC000059729634 IJ Annotated Anodyne COC(=O)C[C@H](c1ccccc1)c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 ZINC000059729635 IJ Annotated Anodyne Cc1ccc(Cl)cc1/N=C1\C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O ZINC000059890107 IJ Annotated Mild COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4c5ccccc5C[C@@H]4[C@@H]3C2=O)cc1 ZINC000006001904 IJ Annotated Anodyne COC(=O)[C@H]1ON2O[C@@H](O[C@H]3CCCC[C@@H]3C(C)(C)c3ccccc3)C[C@@H]3CC[C@H]1[C@@]32C ZINC000006002036 IJ Annotated Anodyne CSC1=C(C)C(/C=N/Nc2ccc([N+](=O)[O-])cc2)=C(C)N(c2ccccc2)S1(=O)=O ZINC000006004258 IJ Annotated Mild CCCCCOP(=O)(OCCCCC)[C@@](NC(C)=O)(C(=O)OCC)C(F)(F)F ZINC000006004742 IJ Annotated Anodyne CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@H]1CCc2ccccc21 ZINC000006013333 IJ Annotated Anodyne CN1Cc2ccccc2[C@H](c2ccccc2)N=C1CCc1ccc(NS(C)(=O)=O)cc1 ZINC000006013432 IJ Annotated Anodyne CN1Cc2ccc(NS(C)(=O)=O)cc2[C@H](c2ccccc2)N=C1CCc1ccccc1 ZINC000006013434 IJ Annotated Anodyne Cc1cc(S(=O)(=O)NC2=Nc3ccccc3[C@H](c3ccccc3)N2)c(S)cc1Cl ZINC000006013602 IJ Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)COC(=O)CCC(=O)OC)[C@@H]1CCC1=CC(=O)OC1 ZINC000006018716 IJ Annotated Mild CC1=NN(C(=O)c2ccccc2O)[C@H](c2ccccc2Cl)[C@@H]1C(=O)Nc1ccccc1 ZINC000006019092 IJ Annotated Anodyne CC1=NN(C(=O)c2ccccc2O)[C@@H](c2ccccc2Cl)[C@@H]1C(=O)Nc1ccccc1 ZINC000006019094 IJ Annotated Anodyne CC1=NN(C(=O)c2ccccc2O)[C@H](c2ccccc2Cl)[C@H]1C(=O)Nc1ccccc1 ZINC000006019096 IJ Annotated Anodyne CC1=NN(C(=O)c2ccccc2O)[C@@H](c2ccccc2Cl)[C@H]1C(=O)Nc1ccccc1 ZINC000006019099 IJ Annotated Anodyne COc1ccc(OC)c2sc(N3C(=O)/C(=C/Cc4ccco4)N=C3c3ccccc3)nc12 ZINC000006019443 IJ Annotated Anodyne O=C(c1cccnc1)N1N=C(c2ccccc2)C[C@@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000006040660 IJ Annotated Anodyne CCC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)N=C2c2ccccc2)cc1 ZINC000006040746 IJ Annotated Clean CO/C(=C/C(=O)C(Cl)(Cl)Cl)CC/C(=C\C(=O)C(Cl)(Cl)Cl)OC ZINC000006041115 IJ Annotated Mild COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCCl)OCO2 ZINC000006041120 IJ Annotated Reactive O=C1C[C@@H](c2ccc(Cl)cc2)C2(C(=O)NC(=S)N=C2O)[C@@H](c2ccc(Cl)cc2)C1 ZINC000006041402 IJ Annotated Anodyne O=C1C[C@@H](c2ccc(Cl)cc2)C2(C(=O)NC(=S)N=C2O)[C@H](c2ccc(Cl)cc2)C1 ZINC000006041403 IJ Annotated Anodyne C/C(=N\N=C1/C(=O)OC(c2ccccc2)=C1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006041687 IJ Annotated Mild Cc1cccc(/C=N/NC(=O)c2cc(-c3cccnc3)nc3c2c(C)nn3-c2ccccc2)c1 ZINC000006188312 IJ Annotated Reactive Cc1ccc2cc(CN(CCc3ccccc3)/C(S)=N\CCCN(C)C)c(O)nc2c1 ZINC000006409585 IJ Annotated Mild O=C(CNc1cccc2ccccc12)N/N=C\c1ccc(OC(=O)/C=C/c2ccco2)cc1 ZINC000061695534 IJ Annotated Reactive N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)C(=O)Nc1ccccc1F ZINC000061711028 IJ Annotated Reactive COc1cc(/C=N\Nc2ccc(Cl)c(C(=O)O)c2)ccc1OC(=O)c1cccs1 ZINC000061878121 IJ Annotated Mild CCc1nc2c(OCc3ccc(OC)cc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061895393 IJ Annotated Anodyne CC(=O)Nc1cc(-c2ccccc2Cl)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12 ZINC000061895928 IJ Annotated Anodyne CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(F)c(Cl)c2)O3)cc1 ZINC000061896432 IJ Annotated Anodyne CN(C)c1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc(F)c(Cl)c2)O3)cc1 ZINC000061896433 IJ Annotated Anodyne CCc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C)C(=O)Nc1ccccc1OC ZINC000061896478 IJ Annotated Anodyne C=Cc1ccc(Cn2c(C)c(C(=O)NCc3ccccc3C(F)(F)F)sc2=O)cc1 ZINC000061896776 IJ Annotated Anodyne CC(=O)Nc1cc(-c2cccc(C(=O)N(C)C)c2)cn2c(-c3ccc(C(C)=O)cc3)cnc12 ZINC000061896962 IJ Annotated Anodyne COCCNc1nc(Oc2ccc(CC(=O)OC)cc2)c2sc(-c3ccccc3)cc2n1 ZINC000061897172 IJ Annotated Anodyne C[C@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1Cc1ccccc1OC(F)F ZINC000061897330 IJ Annotated Anodyne C[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1Cc1ccccc1OC(F)F ZINC000061897331 IJ Annotated Anodyne COc1ccc(-c2cnc3c(NC(C)=O)cc(-c4ccccc4CN(C)C)cn23)cc1OC ZINC000061897448 IJ Annotated Anodyne OCc1cccc(-c2cnc3c(Nc4cccc(OC(F)(F)C(F)F)c4)nccn23)c1 ZINC000061898695 IJ Annotated Anodyne C/C(O)=N\c1ccc(NC(=O)[C@@H]2Cc3c(-c4cccc(/N=C(\C)O)c4)ccnc3O2)cc1 ZINC000061898777 IJ Annotated Mild C/C(O)=N\c1ccc(NC(=O)[C@H]2Cc3c(-c4cccc(/N=C(\C)O)c4)ccnc3O2)cc1 ZINC000061898778 IJ Annotated Mild C[C@]1(C(=O)NCc2ccccc2Br)CCN1Cc1ccc(-c2ccccc2)o1 ZINC000061902480 IJ Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2Br)CCN1Cc1ccc(-c2ccccc2)o1 ZINC000061902482 IJ Annotated Anodyne CCc1nc2ccc(C(=O)N(C)Cc3ccccc3)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061902768 IJ Annotated Anodyne O=C(NCCC(F)(F)F)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061902896 IJ Annotated Anodyne O=C(NCCC(F)(F)F)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 ZINC000061902897 IJ Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc(F)c(Cl)c2)O3)c1 ZINC000061903100 IJ Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(F)c(Cl)c2)O3)c1 ZINC000061903101 IJ Annotated Anodyne CCc1nc2c(OCC(=O)c3ccc(F)cc3)cccn2c1N(C)C(=O)c1cccs1 ZINC000061903126 IJ Annotated Anodyne O=C(NCc1ccc(Cl)c(Cl)c1)c1cc([C@@H]2CCCCN2C(=O)OCCF)on1 ZINC000061903432 IJ Annotated Anodyne O=C(NCc1ccc(Cl)c(Cl)c1)c1cc([C@H]2CCCCN2C(=O)OCCF)on1 ZINC000061903433 IJ Annotated Anodyne CCc1nc2ccc(C(=O)N(C)Cc3ccco3)cn2c1N(C)CCCc1ccccc1 ZINC000061903440 IJ Annotated Anodyne CCc1nc2c(OCCOc3ccccc3)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061903792 IJ Annotated Anodyne COc1ccc(NC(=O)[C@@H]2Cc3c(-c4ccccc4Oc4ccccc4)ccnc3O2)cn1 ZINC000061904470 IJ Annotated Anodyne COc1ccc(NC(=O)[C@H]2Cc3c(-c4ccccc4Oc4ccccc4)ccnc3O2)cn1 ZINC000061904471 IJ Annotated Anodyne CS(=O)(=O)c1ccc(Nc2nc([C@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000061904507 IJ Annotated Anodyne CS(=O)(=O)c1ccc(Nc2nc([C@@H](N)Cc3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000061904509 IJ Annotated Anodyne CCc1nc2c(OCCOc3ccc(F)cc3)cccn2c1N(C)C(=O)c1cccs1 ZINC000061905052 IJ Annotated Anodyne Cn1c(NCCc2ccncc2)nc2cc(-c3cccc(C(F)(F)F)c3)sc2c1=O ZINC000061905414 IJ Annotated Anodyne CCc1nc2ccc(C(=O)NCC3CCCCC3)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061905644 IJ Annotated Anodyne CCc1nc2c(OCc3ccc(OC(F)F)cc3)cccn2c1N(C)C(=O)c1ccco1 ZINC000061905855 IJ Annotated Anodyne CN(Cc1ccccc1)C(=O)c1ccc(Nc2nc([C@H](N)Cc3ccccc3)cs2)nc1 ZINC000061905982 IJ Annotated Anodyne CN(Cc1ccccc1)C(=O)c1ccc(Nc2nc([C@@H](N)Cc3ccccc3)cs2)nc1 ZINC000061905983 IJ Annotated Anodyne COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4cccc(C(F)(F)F)c4)ccnc3O2)cn1 ZINC000061906089 IJ Annotated Anodyne COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4cccc(C(F)(F)F)c4)ccnc3O2)cn1 ZINC000061906090 IJ Annotated Anodyne CCc1nc2ccc(C(=O)NCC3CCCCC3)cn2c1N(CCC(C)C)CCN(C)C ZINC000061906258 IJ Annotated Anodyne COc1ccccc1CNc1nc(NCc2cccc(OC)c2OC)c2sccc2n1 ZINC000061906304 IJ Annotated Anodyne C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 ZINC000061906329 IJ Annotated Anodyne C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 ZINC000061906330 IJ Annotated Anodyne CCc1nc2c(OCCc3cccc(OC)c3)cccn2c1N(C=O)Cc1ccccc1 ZINC000061906489 IJ Annotated Anodyne CC(=O)Nc1cc(-c2ccccc2CN(C)C)cn2c(-c3ccc(C(C)=O)cc3)cnc12 ZINC000061906518 IJ Annotated Anodyne COc1cc(-c2cc(NC(C)=O)c3ncc(-c4ccc(F)cc4)n3c2)cc(OC)c1OC ZINC000061906556 IJ Annotated Anodyne C[C@]1(C(=O)NCc2cccc3ccccc23)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061906872 IJ Annotated Anodyne C[C@@]1(C(=O)NCc2cccc3ccccc23)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061906873 IJ Annotated Anodyne CCc1nc2c(OCc3ccccc3C(=O)OC)cccn2c1N(C)C(=O)c1cccs1 ZINC000061907084 IJ Annotated Anodyne CCc1nc2c(OCCOc3ccccc3)cccn2c1N(C)C(=O)c1ccc(C)cc1 ZINC000061907463 IJ Annotated Anodyne Cc1c(Br)cccc1NC(=O)[C@]1(C)CCN1Cc1ccccc1OC(F)F ZINC000061907590 IJ Annotated Anodyne Cc1c(Br)cccc1NC(=O)[C@@]1(C)CCN1Cc1ccccc1OC(F)F ZINC000061907591 IJ Annotated Anodyne C[C@]1(C(=O)Nc2ccc3[nH]cnc3c2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061907820 IJ Annotated Anodyne C[C@@]1(C(=O)Nc2ccc3[nH]cnc3c2)CCN1C(=O)c1ccccc1CCc1ccccc1 ZINC000061907821 IJ Annotated Anodyne CCc1nc2c(OCCc3cccc(OC)c3)cccn2c1N(C)C(=O)c1cccs1 ZINC000061907832 IJ Annotated Anodyne COc1ccc(-c2cc(NC(C)=O)c3ncc(-c4cccc(C(C)=O)c4)n3c2)cc1OC ZINC000061908244 IJ Annotated Anodyne CCc1nc2c(OCCOc3ccc(F)cc3)cccn2c1N(C=O)Cc1ccccc1 ZINC000061908306 IJ Annotated Anodyne Cc1cc(C)cc(Cn2c3ccc(NC(=S)NCc4ccccc4F)cc3c(=O)n2C)c1 ZINC000061908479 IJ Annotated Anodyne Cn1c(=O)c2cc(NC(=S)NC3CCCCC3)ccc2n1Cc1ccc(Cl)cc1 ZINC000061908493 IJ Annotated Anodyne CC(=O)Nc1cccc(-c2cc(NC(C)=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)c1 ZINC000061908579 IJ Annotated Anodyne Cn1c(=O)c2cc(NC(=O)NCc3ccc(F)cc3)ccc2n1C/C=C/c1ccccc1 ZINC000061908652 IJ Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000061921661 IJ Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000061921662 IJ Annotated Anodyne CC1(C)CN(CCc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000061923192 IJ Annotated Anodyne CCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 ZINC000061923250 IJ Annotated Anodyne COc1ccc(NC(=O)C[C@H]2C(=O)N(C3CCCCC3)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000061923610 IJ Annotated Anodyne O[C@H]1C[C@H](c2ccccc2)N(Cc2cccs2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923692 IJ Annotated Anodyne O[C@H]1CN(Cc2cccs2)[C@@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923868 IJ Annotated Anodyne O[C@@H]1CN(Cc2cccs2)[C@@H](c2ccccc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000061923980 IJ Annotated Anodyne O=S1(=O)c2ccc(Br)cc2OC[C@H](c2ccccc2)N1Cc1ccccc1 ZINC000061924263 IJ Annotated Anodyne Cc1ccccc1CN1[C@@H](CC(C)C)COc2cc(Br)ccc2S1(=O)=O ZINC000061924291 IJ Annotated Anodyne CCc1nc2c(OCC(=O)c3ccc(F)cc3)cccn2c1N(C)C(=O)c1ccccc1F ZINC000061925624 IJ Annotated Anodyne N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2nccc(C(F)(F)F)n2)n1 ZINC000061926243 IJ Annotated Anodyne N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2nccc(C(F)(F)F)n2)n1 ZINC000061926244 IJ Annotated Anodyne CCOC(=O)Cc1ccc(Nc2nc3cc(-c4sccc4C)sc3c(=O)n2C)cc1 ZINC000061926330 IJ Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)O3)c1 ZINC000061926777 IJ Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)O3)c1 ZINC000061926778 IJ Annotated Anodyne COc1cc(-c2cnc3c(NC=O)cc(-c4ccccc4Cl)cn23)cc(OC)c1OC ZINC000061927132 IJ Annotated Anodyne CCc1nc2c(OCCOc3ccccc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061927278 IJ Annotated Anodyne CCOC(=O)Cc1ccc(Nc2nc3cc(-c4ccccc4C)sc3c(=O)n2C)cc1 ZINC000061929259 IJ Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2csc([C@H](NC(C)=O)c3ccc(F)c(F)c3)n2)c1 ZINC000061929739 IJ Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2csc([C@@H](NC(C)=O)c3ccc(F)c(F)c3)n2)c1 ZINC000061929740 IJ Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccc(F)c(Cl)c2)O3)cc1 ZINC000061929772 IJ Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccc(F)c(Cl)c2)O3)cc1 ZINC000061929777 IJ Annotated Anodyne CN(C)C(=O)c1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)c(Cl)c4)n3c2)c1 ZINC000061930059 IJ Annotated Anodyne CCCCNc1cccc2c1S(=O)(=O)N(CCCC)C[C@H](COCc1ccccc1)O2 ZINC000061931248 IJ Annotated Anodyne CCCCNc1cccc2c1S(=O)(=O)N(CCCC)C[C@@H](COCc1ccccc1)O2 ZINC000061931250 IJ Annotated Anodyne CC1=CC(=O)[C@@H](OC(=O)Nc2ccc(C)cc2)[C@@H](c2ccccc2Br)N1C ZINC000061936372 IJ Annotated Mild COc1ccc(C2=CC(=O)C[C@H](COCc3ccccc3)N(C(=O)OC(C)(C)C)O2)cc1 ZINC000061942678 IJ Annotated Mild Cc1ccccc1S(=O)(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2ccccc2)c1 ZINC000061943035 IJ Annotated Anodyne CCCCN1C(=O)N(CCc2ccc(F)cc2)S(=O)(=O)c2cc(C(F)(F)F)ccc21 ZINC000061944752 IJ Annotated Anodyne CCCCOc1ccccc1-c1ccccc1CN1[C@@H](C(C)C)COCCS1(=O)=O ZINC000061944767 IJ Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)c3ccccc3)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000061945334 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(F)cc3)C(C(=O)O)=C[C@H]2CC2CCCC2)cc1 ZINC000061947022 IJ Annotated Anodyne CCCCC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(F)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947023 IJ Annotated Anodyne CCCCC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(C#N)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947026 IJ Annotated Mild CCCC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(CC)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947036 IJ Annotated Anodyne CCc1ccc([C@H]2C(C(=O)O)=C[C@@H](C(C)(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061947038 IJ Annotated Anodyne CC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(Cl)c(Cl)c2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000061947050 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Cl)cc3)C(C(=O)O)=C[C@H]2C(C)(C)C)cc1 ZINC000061947056 IJ Annotated Anodyne O=C1CC[C@@H]2C[C@]3(C[C@@H]4CCN1[C@@H]42)Nc1cc(Cl)ccc1N=C3NC1CCCCC1 ZINC000061958536 IJ Annotated Anodyne O=C1CC[C@@H]2C[C@@]3(C[C@@H]4CCN1[C@@H]42)Nc1cc(Cl)ccc1N=C3NC1CCCCC1 ZINC000061958537 IJ Annotated Anodyne Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3ccc(F)cc3C(=O)N12 ZINC000061958704 IJ Annotated Anodyne C[C@@]12C(=O)Nc3cc(F)c(F)cc3C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061958710 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000061958995 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@H]2CC(=O)c2ccccc2)cc1 ZINC000061958996 IJ Annotated Anodyne C[C@@]12C(=O)Nc3ccc(F)cc3C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061959414 IJ Annotated Anodyne Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3cc(F)ccc3C(=O)N12 ZINC000061959436 IJ Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccco2)=N[C@H]1c1cccc(F)c1 ZINC000061959567 IJ Annotated Anodyne C[C@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000061959597 IJ Annotated Anodyne COc1ccc(N2C(=O)N3[C@@H]4c5ccccc5OC[C@@H]4[C@@H](c4ccccc4)[C@@]3(C)C2=O)cc1 ZINC000061959637 IJ Annotated Anodyne C[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000061959676 IJ Annotated Anodyne C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000061959801 IJ Annotated Anodyne COc1ccc(-c2oc(=O)c3cc(OC)c(OC)cc3c2C#CC2(O)CCCCC2)cc1 ZINC000061969015 IJ Annotated Mild COc1ccc(OCC(=O)N=Nc2c(O)[nH]c3c(C)cc(C)cc23)c(Br)c1 ZINC000617960025 IJ Annotated Clean O=C(Cn1c(-c2ccccn2)nc2ccccc21)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000617960074 IJ Annotated Clean COc1cc(C(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)cc(OC)c1OC ZINC000617960094 IJ Annotated Clean COc1ccc(-c2csc(-n3nc(C)c(N=Nc4ccc(C(N)=O)cc4)c3O)n2)cc1 ZINC000617978375 IJ Annotated Clean NC(=O)c1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccccc3)c2O)cc1 ZINC000617978376 IJ Annotated Clean NC(=O)c1ccc(N=Nc2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2O)cc1 ZINC000617978377 IJ Annotated Clean CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000617980976 IJ Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000617980977 IJ Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)N3CCCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000618004789 IJ Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)N3CCCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000618004796 IJ Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000618004797 IJ Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)N3CCCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000618004798 IJ Annotated Anodyne COC(=O)c1nc2n(n1)[C@H](c1ccccc1Cl)/C(=C(\O)OC1CCCCC1)C(C)=N2 ZINC000618005639 IJ Annotated Anodyne COC(=O)c1nc2n(n1)[C@@H](c1ccccc1Cl)/C(=C(\O)OC1CCCCC1)C(C)=N2 ZINC000618005646 IJ Annotated Anodyne C[C@H]1CC[C@]2(OC1)O[C@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@@]5(C)C4=CC(=O)[C@@]3(C)[C@H]1[C@@H]2C ZINC000618005856 IJ Annotated Mild C[C@H]1CC[C@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@@]5(C)C4=CC(=O)[C@@]3(C)[C@H]1[C@@H]2C ZINC000618005868 IJ Annotated Mild C[C@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@@]5(C)C4=CC(=O)[C@@]3(C)[C@H]1[C@@H]2C ZINC000618005870 IJ Annotated Mild C[C@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@@]5(C)C4=CC(=O)[C@@]3(C)[C@H]1[C@@H]2C ZINC000618005872 IJ Annotated Mild CN(C)CCSSCCCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000618008196 IJ Annotated Reactive C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C(F)(F)F)cc1)CCN(C)C3 ZINC000618008617 IJ Annotated Mild C[C@H](C(=O)NCCCSSCCN(C)C)c1ccc(C(=O)c2cccs2)cc1 ZINC000618009064 IJ Annotated Reactive C[C@@H](C(=O)NCCCSSCCN(C)C)c1ccc(C(=O)c2cccs2)cc1 ZINC000618009065 IJ Annotated Reactive CC(C)N1CCN(CCOC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010335 IJ Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5o4)c3)CC2)CC1 ZINC000618010473 IJ Annotated Anodyne CN(C)Cc1cccc(/N=C(\c2ccccc2)c2c(O)[nH]c3cc(C(=O)N(C)C)ccc23)c1 ZINC000618011665 IJ Annotated Mild O=C(CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1)N1CCCCC1 ZINC000618011811 IJ Annotated Anodyne Cc1cccc([C@@H]2CC[C@@H](C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccn3)C(=O)N2)c1 ZINC000618015438 IJ Annotated Anodyne Cc1cccc([C@@H]2CC[C@H](C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccn3)C(=O)N2)c1 ZINC000618015439 IJ Annotated Anodyne Cc1cccc([C@@H]2CC[C@@H](C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccn3)C(=O)N2)c1 ZINC000618015440 IJ Annotated Anodyne Cc1cccc([C@@H]2CC[C@H](C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccn3)C(=O)N2)c1 ZINC000618015441 IJ Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=Nc3nc(-c4cccc(C)c4)nn32)cc(OC)c1OC ZINC000618016710 IJ Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3nc(-c4cccc(C)c4)nn32)cc(OC)c1OC ZINC000618016711 IJ Annotated Anodyne Fc1ccc(O[C@H]2COC3(CCN(Cc4cccc(Oc5ncccn5)c4)CC3)C2)cc1 ZINC000618016779 IJ Annotated Anodyne Fc1ccc(O[C@@H]2COC3(CCN(Cc4cccc(Oc5ncccn5)c4)CC3)C2)cc1 ZINC000618016780 IJ Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCCN(C(=O)CCc3cnn(C)c3)C2)CO[C@H]1c1ccc(F)cc1 ZINC000618017750 IJ Annotated Anodyne C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000621439779 IJ Annotated Mild C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000621439780 IJ Annotated Mild CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(OCc2ccccc2)c(Br)c1 ZINC000621475489 IJ Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(OCc2ccccc2)c(Br)c1 ZINC000621475490 IJ Annotated Anodyne O=C1C(O)=C(C2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)C(=O)c2ccccc21 ZINC000621476057 IJ Annotated Reactive O=C(O)c1cc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)ccc1Cl ZINC000621476415 IJ Annotated Anodyne O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621477456 IJ Annotated Reactive CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000621477820 IJ Annotated Clean O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCC[C@]2(C1)OCC1(O2)C2CC3CC(C2)CC1C3 ZINC000621478404 IJ Annotated Reactive O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@H]1CCC[C@]2(C1)OCC1(O2)C2CC3CC(C2)CC1C3 ZINC000621478405 IJ Annotated Reactive O=C(N[C@H]1CCN[C@H](Cc2ccc(Cl)cc2)C1)c1c[nH]c2ccc(Br)cc12 ZINC000621485694 IJ Annotated Anodyne NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O ZINC000063540085 IJ Annotated Anodyne CN(C)CCCOc1cc2c(c(-c3ccc(Nc4nc5ccccc5o4)cc3)c1)CNC2=O ZINC000063540087 IJ Annotated Anodyne CCOc1ccccc1/C=C\C(O)=N\c1ccc2nc(N3CCN(C)CC3)cc(C)c2c1 ZINC000064251949 IJ Annotated Mild Cc1ccccc1Cc1cc2c(N(C)c3cccc(Br)c3)nc(N)nc2n1C ZINC000064256495 IJ Annotated Anodyne O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000064277726 IJ Annotated Anodyne O=C1CC(c2ccncc2)=NN1[C@H]1C[C@@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064277731 IJ Annotated Anodyne O=C1CC(c2ccncc2)=NN1[C@@H]1C[C@@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064277732 IJ Annotated Anodyne O=C1CC(c2ccncc2)=NN1[C@@H]1C[C@H](C(F)(F)F)Nc2c1cccc2C(F)(F)F ZINC000064277733 IJ Annotated Anodyne CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C ZINC000064415809 IJ Annotated Anodyne in-vitro biogenic S=c1sc(C23CC4CC(CC(C4)C2)C3)nn1CN1CCN(c2ccccc2)CC1 ZINC000064436866 IJ Annotated Anodyne CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccccc4F)c4ccccc34)[C@@H]21 ZINC000064437199 IJ Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccccc4F)c4ccccc34)[C@H]21 ZINC000064437201 IJ Annotated Clean O=c1c(Cc2ccc(Cl)cc2Cl)nnc2scc(-c3ccc([N+](=O)[O-])cc3)n12 ZINC000064446765 IJ Annotated Bother CCO[C@H]1O[C@@H]2[C@H]3[C@H](C[C@H](OCc4ccc(OC)cc4)[C@@H]3C)[C@]3(C)CC[C@]2(OO3)[C@H]1C ZINC000064447305 IJ Annotated Reactive COc1c(C(/C=C(\C)N2CCCC2)=C2C(=O)c3ccccc3C2=O)c(O)cc2occc12 ZINC000064447672 IJ Annotated Mild CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(F)cc4)c4ccccc34)[C@@H]21 ZINC000064447828 IJ Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(F)cc4)c4ccccc34)[C@H]21 ZINC000064447829 IJ Annotated Clean CCO[C@@H]1O[C@@H]2[C@H]3[C@H](C[C@H](OCc4ccc(OC)cc4)[C@@H]3C)[C@]3(C)CC[C@]2(OO3)[C@H]1C ZINC000064448410 IJ Annotated Reactive NC(=O)c1c(C(F)(F)F)cc(-c2ccccc2)c2c1N=C(c1cccs1)N1CCN=C21 ZINC000064448833 IJ Annotated Anodyne O=c1c(Cc2ccc(Cl)cc2)nnc2scc(-c3ccc(Br)cc3)n12 ZINC000064453981 IJ Annotated Anodyne NC(=O)c1c(-c2ccccc2)cc(C(F)(F)F)c2c1N=C(c1cccs1)N1CCN=C21 ZINC000064454448 IJ Annotated Anodyne CC(=O)O/N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Br)cc21 ZINC000064503435 IJ Annotated Mild Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 ZINC000064503539 IJ Annotated Anodyne Fc1ccc(CN(CCn2cnc3ccccc32)CCn2cnc3ccccc32)c(F)c1 ZINC000064503669 IJ Annotated Anodyne COc1ccc(CCN(C)Cc2coc(-c3ccc(Br)cc3)n2)cc1OC ZINC000064508200 IJ Annotated Anodyne COc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)N(c1ccc(C(C)=O)cc1)C2=O ZINC000064512975 IJ Annotated Anodyne O=C(/C=C/c1ccc([N+](=O)[O-])o1)c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000064513712 IJ Annotated Mild Cc1ccc(/C=C2/N=C(c3ccccc3)N(C(=O)Cc3ccc(Cl)cc3)NC2=O)cc1 ZINC000064516588 IJ Annotated Clean O=C1NN(C(=O)c2ccccc2Cl)C(c2ccccc2)=N/C1=C/c1ccccc1Cl ZINC000064516598 IJ Annotated Clean Cc1cc(=O)c2ccc(O)c(CN(CCc3ccccc3)Cc3ccc([N+](=O)[O-])cc3)c2o1 ZINC000064516833 IJ Annotated Clean COc1cc(C)cc2c1C(=O)C=C(c1cc(OC)c3c(OC)cc(C)cc3c1OC)C2=O ZINC000064521342 IJ Annotated Mild Sc1nnc(Cc2nc(-c3ccccc3)no2)n1Cc1ccccc1-c1ccccc1 ZINC000064527035 IJ Annotated Anodyne Cc1cccc(F)c1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 ZINC000064527037 IJ Annotated Anodyne Cc1c(F)cccc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 ZINC000064527038 IJ Annotated Anodyne CCN(CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])c(Nc2ccc3ncsc3c2)n1 ZINC000064527563 IJ Annotated Bother CCN(CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])c(Nc2ccc3ncsc3c2)n1 ZINC000064527565 IJ Annotated Bother O=C(Nc1cccc(Br)c1)Nc1cccn(Cc2ccccc2Cl)c1=O ZINC000064527585 IJ Annotated Anodyne Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(O)ccc2n1-c1ccccc1 ZINC000064527826 IJ Annotated Anodyne Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccccc1 ZINC000064527990 IJ Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](SC)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000064528172 IJ Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](SC)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000064528173 IJ Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](SC)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000064528174 IJ Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](SC)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000064528175 IJ Annotated Anodyne O=C(c1ccc(F)cc1)c1cnc(-c2ccc(Cl)cc2)n1S(=O)(=O)c1ccccc1 ZINC000064528258 IJ Annotated Anodyne Cc1cccc(-c2ccoc2)c1Nc1nc(N(C)Cc2ccc3occc3c2)[nH]c(=O)n1 ZINC000064528274 IJ Annotated Anodyne Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cccc(F)c2n1-c1ccccc1 ZINC000064528411 IJ Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2C)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000064532235 IJ Annotated Anodyne COc1cccc2c(C(=O)N3C[C@]4(C)CSCN4C[C@@H]3C)cn(CC3CCCCC3)c12 ZINC000064539460 IJ Annotated Anodyne CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3ccccc3F)C2=O)CC1 ZINC000064539700 IJ Annotated Anodyne CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3cccc(F)c3)C2=O)CC1 ZINC000064539894 IJ Annotated Anodyne CNc1ncnc2c(CNc3cc(NC(=O)c4ccncc4Cl)ccc3C)cccc12 ZINC000064540688 IJ Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(-c4csc(C)n4)s3)CC2)nc1 ZINC000064548523 IJ Annotated Anodyne Cc1ncccc1N1CC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)OC1=O ZINC000064548564 IJ Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)C34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)CC2)nc1 ZINC000064548640 IJ Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(-c4cccs4)s3)CC2)nc1 ZINC000064548757 IJ Annotated Anodyne CCn1c2ccncc2c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000064548848 IJ Annotated Anodyne CCC12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCC(F)(CNCc4ccc(C)cn4)CC1)(C3)C2 ZINC000064549099 IJ Annotated Anodyne O=C(NN=C1[C@H]2CCC[C@@H]1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1)c1ccncc1 ZINC000064549697 IJ Annotated Reactive O=C(NN=C1[C@H]2CCC[C@@H]1[C@@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1)c1ccncc1 ZINC000064549698 IJ Annotated Reactive O=c1c2cc(-c3ccc(F)cc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1 ZINC000064559086 IJ Annotated Anodyne O=c1cc(CO)oc([C@H](c2ccccc2O)c2c(-c3ccccc3)[nH]c3ccccc23)c1O ZINC000064559542 IJ Annotated Anodyne O=c1cc(CO)oc([C@@H](c2ccccc2O)c2c(-c3ccccc3)[nH]c3ccccc23)c1O ZINC000064559543 IJ Annotated Anodyne C[C@@](O)(c1ccc(S(=O)(=O)c2ccc(CC3(C#N)CC3)cc2Cl)cc1)C(F)(F)F ZINC000064560732 IJ Annotated Mild C[C@](O)(c1ccc(S(=O)(=O)c2ccc(CC3(C#N)CC3)cc2Cl)cc1)C(F)(F)F ZINC000064560733 IJ Annotated Mild COc1c(F)c(F)cc2c(=O)c(-c3nnc(Nc4ccccc4)s3)cn(C3CC3)c12 ZINC000064560740 IJ Annotated Anodyne Cc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3c([N+](=O)[O-])cccc3s2)cc1 ZINC000064564350 IJ Annotated Bother Cc1ccc(-c2nnc(-c3cccnc3)n2Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000064564458 IJ Annotated Bother CC1=C2C[C@H]3[C@@H](CC[C@@H]4CNC(=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@@H]1[C@H]2C ZINC000064564704 IJ Annotated Anodyne CCCN(CCC)Cc1cc2c(o1)C[C@H]1[C@@H]3[C@@H]2C(=O)O[C@H]3[C@H](O)[C@H]2C(C)(C)CCC[C@]12C ZINC000064573644 IJ Annotated Anodyne COc1cc(C(=O)c2cc(-c3cncnc3)ccc2-c2nccs2)cc(OC)c1OC ZINC000064573972 IJ Annotated Anodyne CCN1C(=O)SC[C@H]1[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000064573983 IJ Annotated Anodyne COc1cc(/C=C\c2ccc3ccccc3n2)cc(Br)c1OCC(=O)N(C)C ZINC000064608219 IJ Annotated Anodyne Cc1cccc2c(=O)n(-c3ccccc3)c(SCC(=O)Nc3ccc4c(c3)CCC4)nc12 ZINC000064708131 IJ Annotated Anodyne CCOC(=O)C1CCN(Cn2nc([C@@H](C)c3ccc(CC(C)C)cc3)oc2=S)CC1 ZINC000064755130 IJ Annotated Anodyne CCOC(=O)C1CCN(Cn2nc([C@H](C)c3ccc(CC(C)C)cc3)oc2=S)CC1 ZINC000064755133 IJ Annotated Anodyne CCOc1cc([C@H]2C(C(=O)N3CCCCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@H]32)ccc1O ZINC000006507081 IJ Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@H]32)ccc1O ZINC000006507083 IJ Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1ccc2c(c1)OCO2 ZINC000006529681 IJ Annotated Anodyne Cc1ccsc1-c1nc(CSCC(=O)N2CCN(c3ccccc3)CC2)c(C)o1 ZINC000006577210 IJ Annotated Anodyne COC(=O)CCC/C=C(\c1cccc(C#N)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000006733340 IJ Annotated Mild CCCc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cccc(C)c4)o3)CC2)cc1 ZINC000006737493 IJ Annotated Anodyne CCO[C@@H]1CC(C)(C)Oc2ccc3oc(C(=O)NCCN4CCCCCC4)c(C)c3c21 ZINC000006750805 IJ Annotated Anodyne CCO[C@H]1CC(C)(C)Oc2ccc3oc(C(=O)NCCN4CCCCCC4)c(C)c3c21 ZINC000006750806 IJ Annotated Anodyne Cc1nc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c2ccccc2n1 ZINC000653631973 IJ Annotated Anodyne Fc1ccc(-c2csc3n[nH]c(N4C[C@H]5C[C@H]4C[C@H]5OCCN4CCCC4)c23)cc1 ZINC000653633715 IJ Annotated Anodyne Fc1ccc(-c2csc3n[nH]c(N4C[C@H]5C[C@H]4C[C@@H]5OCCN4CCCC4)c23)cc1 ZINC000653633716 IJ Annotated Anodyne C[C@H]1CCc2cc(-c3nc(Cl)nc4[nH]ccc34)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653661727 IJ Annotated Anodyne CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1 ZINC000653663043 IJ Annotated Anodyne COc1cc(O)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1Br ZINC000653663058 IJ Annotated Anodyne Cc1ccc(CN(C(=O)c2cc(Cl)c(O)cc2O)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000653664351 IJ Annotated Anodyne Cc1nc(NC[C@@H]2CCCN(C(=O)C3CCCC3)C2)cc(-c2ccc3ncsc3c2)n1 ZINC000653664385 IJ Annotated Anodyne Cc1nc(NC[C@H]2CCCN(C(=O)C3CCCC3)C2)cc(-c2ccc3ncsc3c2)n1 ZINC000653664386 IJ Annotated Anodyne Cc1cncnc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653664891 IJ Annotated Anodyne Cc1cncnc1-c1ccc2c(c1)CC[C@@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653664892 IJ Annotated Anodyne COc1cc(OCc2csc(N(C)C)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653665239 IJ Annotated Anodyne COc1ccccc1CC(=O)Nc1cnc2cnc(-c3cccc(Cl)c3Cl)cn12 ZINC000653665374 IJ Annotated Anodyne Cc1ccc(C[C@H](N)COc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)cc1 ZINC000653665382 IJ Annotated Anodyne COc1cc(Br)cc2cc(-c3cn4nc(Br)sc4n3)oc12 ZINC000653665397 IJ Annotated Anodyne Cc1cc(Cl)nnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653665752 IJ Annotated Anodyne Cc1cc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl ZINC000653665765 IJ Annotated Anodyne Cc1cnc(NC(C)C)nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653666176 IJ Annotated Anodyne N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccccc1F ZINC000653666678 IJ Annotated Anodyne Cc1ncc(Cl)cc1C(=O)N[C@@H]1CC[C@@H](CN2C(=O)C3(CC3)c3cc(F)ccc32)CC1 ZINC000653666687 IJ Annotated Anodyne CCCc1cncnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653666703 IJ Annotated Anodyne Cc1cccc(C[C@H](N)COc2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)c1 ZINC000653666707 IJ Annotated Anodyne N[C@H](CCc1ccccc1)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 ZINC000653667561 IJ Annotated Anodyne Cc1cnc(C#N)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653667717 IJ Annotated Mild Cc1cc(N)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653667721 IJ Annotated Anodyne C[C@@H](c1ccccc1)N(C(=O)c1cc(Cl)c(O)cc1O)c1ccc(C(=O)N(C)C)cc1 ZINC000653668876 IJ Annotated Anodyne C[C@H](c1ccccc1)N(C(=O)c1cc(Cl)c(O)cc1O)c1ccc(C(=O)N(C)C)cc1 ZINC000653668877 IJ Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1cc(F)c(O)cc1O ZINC000653669343 IJ Annotated Anodyne CNc1nnc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c2ccccc12 ZINC000653669349 IJ Annotated Anodyne CSc1nc2c(c(-c3ccc4c(c3)CC[C@H](C)N4C(=O)c3ccc(O)cc3O)n1)CCC2 ZINC000653669367 IJ Annotated Anodyne Cc1ncc(Cl)cc1C(=O)N[C@@H]1CC[C@@H](CN2C(=O)[C@@](C)(F)c3ccccc32)CC1 ZINC000653670286 IJ Annotated Anodyne Cc1cccc2c1C(C)(C)C(=O)N2C[C@@H]1CC[C@@H](NC(=O)c2cc(Cl)cnc2C)CC1 ZINC000653670293 IJ Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2cnc3ccccc3n2)cc1 ZINC000653671290 IJ Annotated Anodyne COc1cc(OCc2csc(N3CCC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653672741 IJ Annotated Anodyne Cc1ccc(-c2csc3c(=NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)[nH]c23)o1 ZINC000653672875 IJ Annotated Anodyne COc1cc(OCc2ccc(F)cc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653676832 IJ Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ncccc2CO)cc1 ZINC000653676849 IJ Annotated Anodyne COC(=O)COc1cccc([C@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000653677659 IJ Annotated Anodyne COC(=O)COc1cccc([C@@H](C)Nc2cc(-c3ccc4ncsc4c3)nc(C)n2)c1 ZINC000653677660 IJ Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653678276 IJ Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCSC3)Cc1ccccc1 ZINC000653678360 IJ Annotated Anodyne C[C@H]1CCc2cc(-c3nc(Cl)nc4c3ccn4C)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653679179 IJ Annotated Anodyne CCc1nccnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653679812 IJ Annotated Anodyne F[C@@H]1CCN(CCOC[C@@H]2CCCCN2c2ncc3c(-c4ccccc4)csc3n2)C1 ZINC000653679828 IJ Annotated Anodyne F[C@@H]1CCN(CCOC[C@H]2CCCCN2c2ncc3c(-c4ccccc4)csc3n2)C1 ZINC000653679829 IJ Annotated Anodyne CSc1nc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)c2cc[nH]c2n1 ZINC000653680386 IJ Annotated Anodyne CSc1nc(Cl)cc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)n1 ZINC000653680389 IJ Annotated Anodyne Cc1cc(N)ncc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653680450 IJ Annotated Anodyne CCc1cnc(C)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653681019 IJ Annotated Anodyne C[C@H]1CCc2cc(-c3nc4ccccc4cc3CO)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653683843 IJ Annotated Anodyne Cc1nc(N)ccc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653686451 IJ Annotated Anodyne N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccc(F)cc1 ZINC000653686461 IJ Annotated Anodyne Cc1c(CCOCCF)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1 ZINC000653687087 IJ Annotated Clean N#Cc1ccc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(Br)cc2)cc1 ZINC000653687095 IJ Annotated Mild N#Cc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(Br)cc2)cc1 ZINC000653687105 IJ Annotated Mild O=C(OCc1ccccc1)SCCCCCCNC(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000653688517 IJ Annotated Anodyne Cc1c(CCOCCCF)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000653689036 IJ Annotated Clean CCOC(=O)CCCCc1nc2nc(C(=O)c3ccccc3)c(-c3ccccc3)c-2c(O)[nH]1 ZINC000653691262 IJ Annotated Anodyne O=c1cc(-c2ccccc2OCc2ccc(-c3cn[nH]c3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653695850 IJ Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)c5cnccn5)CC[C@@]43C)[C@@H]1Cc1snnc12 ZINC000653697068 IJ Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)[C@@H]5CCCNC5)CC[C@@]43C)[C@@H]1Cc1snnc12 ZINC000653697097 IJ Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)[C@H]5CCCNC5)CC[C@@]43C)[C@@H]1Cc1snnc12 ZINC000653697098 IJ Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)C5CCNCC5)CC[C@@]43C)[C@@H]1Cc1snnc12 ZINC000653697116 IJ Annotated Anodyne Cc1ccc(C(=O)Oc2ccc([C@H](CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1 ZINC000653706766 IJ Annotated Anodyne CC(=O)n1cc(N(NC(=O)c2ccncc2)C(=O)Nc2ccc(Cl)cc2)c2ccccc21 ZINC000653708648 IJ Annotated Reactive Cc1cc(C#N)cc(C)c1Oc1cc(NCCN(C)C)nc(Nc2ccc(C#N)cc2)c1 ZINC000653708713 IJ Annotated Mild CCN(c1ccc(Cl)c(C(=O)N(C)Cc2c(C)cc(C)nc2O)c1C)C1CCOCC1 ZINC000653711595 IJ Annotated Anodyne O=C(C[C@@H](c1ccc(O)c(O)c1)c1c[nH]c2ccccc12)c1c(O)c2ccccc2oc1=O ZINC000653712798 IJ Annotated Clean O=C(C[C@H](c1ccc(O)c(O)c1)c1c[nH]c2ccccc12)c1c(O)c2ccccc2oc1=O ZINC000653712799 IJ Annotated Clean CC1(C)OCc2c(Nc3n[nH]c4c(Cl)cccc34)nc(-c3c[nH]nc3C(F)F)nc21 ZINC000653712823 IJ Annotated Anodyne O=C1N(c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H](O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000653713271 IJ Annotated Anodyne O=C1N(c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H](O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000653713272 IJ Annotated Anodyne O=C1N(c2ccc(Cl)c(C(F)(F)F)c2)[C@@H](O)[C@@H](O)N1c1ccc(Cl)c(Cl)c1 ZINC000653713273 IJ Annotated Anodyne O=C1N(c2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000653713274 IJ Annotated Anodyne COc1ccc(-n2cc(-c3ccc(NC(=N)c4ccccn4)cc3OC(C)C)nn2)cc1 ZINC000653715023 IJ Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(CNCc3c[nH]c4ccc(Br)cc34)on2)cc1 ZINC000653716374 IJ Annotated Bother CO[C@H]1C[C@@H]2O[C@@H](c3nc(C(=O)O)cs3)CC[C@@H]2[C@H]1COc1ccc(Cl)c(C)c1 ZINC000653717013 IJ Annotated Anodyne CC1=NN(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C/c1cn(C[C@H]2CO2)c2ccccc12 ZINC000653717444 IJ Annotated Clean CC1=NN(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C/c1cn(C[C@@H]2CO2)c2ccccc12 ZINC000653717445 IJ Annotated Clean O=C1Nc2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc2C12CCNCC2 ZINC000653717806 IJ Annotated Anodyne O=C1Nc2cc(CN3c4ccccc4COc4cc(F)ccc43)ccc2C12CCNCC2 ZINC000653719072 IJ Annotated Anodyne CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(C[C@@H]2CO2)c2ccccc12 ZINC000653719887 IJ Annotated Clean CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(C[C@H]2CO2)c2ccccc12 ZINC000653719888 IJ Annotated Clean Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(C(=O)NNc3ccccc3)n2)cc1 ZINC000653720256 IJ Annotated Reactive COc1ccc(Cc2cc(=O)n3c(c2C2CC2)SC[C@H]3C(=O)Nc2ccccc2)cc1 ZINC000653721495 IJ Annotated Anodyne COc1ccc(Cc2cc(=O)n3c(c2C2CC2)SC[C@@H]3C(=O)Nc2ccccc2)cc1 ZINC000653721496 IJ Annotated Anodyne Cc1ccc(CN2C(=O)C[C@@H](c3ccc(C)cc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 ZINC000653721931 IJ Annotated Bother COc1ccc(CN2C(=O)C[C@@H](c3ccc(C)cc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1 ZINC000653721972 IJ Annotated Bother Cc1c(C(=O)Nc2ccc(Oc3cc[nH]c4nccc3-4)cc2)nnn1-c1ccc(F)cc1 ZINC000653722052 IJ Annotated Anodyne Cc1noc(C)c1-c1ccc2c(c1)nc(CCc1ccccc1)n2C[C@H](C)N1CCOCC1 ZINC000653726544 IJ Annotated Anodyne COC[C@H](C)CN1[C@H](c2c(F)cc(/C=C/C(=O)O)cc2F)c2ccc(O)cc2CC1(C)C ZINC000653730544 IJ Annotated Anodyne O=C1C[C@@H](c2ccccc2Cl)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1ccccc1 ZINC000653732520 IJ Annotated Bother O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(-c2cnco2)cc1 ZINC000653737547 IJ Annotated Anodyne COc1ccc(Cl)cc1C1=C(Br)C(=O)O/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000653738919 IJ Annotated Bother C=C(C)Cn1c(SCC(=O)c2cccs2)nc2sc3c(c2c1=O)CCSC3 ZINC000653739294 IJ Annotated Mild Cc1c(O)nc(N(C)Cc2ccc([N+](=O)[O-])cc2)nc1Cc1c(Cl)cccc1Cl ZINC000653743784 IJ Annotated Bother COCCSCCC(=O)N1C/C(=C\c2ccc(C)cc2)C(=O)/C(=C/c2ccc(C)cc2)C1 ZINC000653744934 IJ Annotated Mild Cc1c(C(=O)Nc2ccc(Oc3cc[nH]c4nccc3-4)cc2)nnn1-c1ccc(F)c(F)c1 ZINC000653746414 IJ Annotated Anodyne COc1cccc(CN2C(=O)C[C@@H](c3ccc(C)cc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)c1 ZINC000653746422 IJ Annotated Bother CCNS(=O)(=O)c1ccc(NC2C3CC4CC(C3)CC2C4)c(NCc2ccccc2)c1 ZINC000653747712 IJ Annotated Anodyne Cc1ccc(C(=O)N(/N=C/c2c[nH]nc2-c2cccc(Cl)c2)C(=O)c2ccncc2)cc1 ZINC000653747941 IJ Annotated Reactive CNC(=O)CNc1cc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)ccc1Cl ZINC000653747942 IJ Annotated Anodyne COc1cc(OC)c2c(=O)n(Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)ccc2c1 ZINC000653748821 IJ Annotated Anodyne CC(C)=CCc1ccc(O)c(C(=O)c2c(O)cc(C)c3c2[C@H](O)[C@@H](C(C)C)CO3)c1O ZINC000653748835 IJ Annotated Anodyne COc1ccc(C[C@@H](OC(=N)O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748857 IJ Annotated Anodyne COc1ccc(C[C@H](OC(=N)O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653748858 IJ Annotated Anodyne COc1ccc([C@H](C)[C@@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC ZINC000653751504 IJ Annotated Anodyne COc1ccc([C@H](C)[C@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC ZINC000653751505 IJ Annotated Anodyne COc1ccc([C@@H](C)[C@@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC ZINC000653751506 IJ Annotated Anodyne COc1ccc([C@@H](C)[C@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC ZINC000653751507 IJ Annotated Anodyne COc1ccc(C(C)(C)[C@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC ZINC000653755646 IJ Annotated Anodyne COc1ccc(C(C)(C)[C@@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC ZINC000653755648 IJ Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)N2CCC(C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000653759960 IJ Annotated Bother CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000653759961 IJ Annotated Bother Cc1csc2ncnc(N3C[C@H](CNCC[C@@H]4CCCN4C)C[C@H]3c3ccccc3)c12 ZINC000653761903 IJ Annotated Anodyne Cc1csc2ncnc(N3C[C@H](CNCC[C@H]4CCCN4C)C[C@H]3c3ccccc3)c12 ZINC000653761904 IJ Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nncc3ccccc23)cc1 ZINC000653762227 IJ Annotated Anodyne COc1cc2oc(-c3cn4nc(Br)sc4n3)cc2cc1Br ZINC000653762368 IJ Annotated Anodyne COc1cc(/C=C2\CC/C(=C\c3cc4c(cc3Br)OCO4)C2=O)ccc1O ZINC000653762859 IJ Annotated Mild COc1ccc(Br)c2cc(-c3cn4nc(Br)sc4n3)oc12 ZINC000653765532 IJ Annotated Anodyne COc1ccc(C(C)(C)[C@@H](OC(=N)O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC ZINC000653765612 IJ Annotated Anodyne COc1ccc(C(C)(C)[C@H](OC(=N)O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC ZINC000653765613 IJ Annotated Anodyne C#Cc1ncc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1 ZINC000653765628 IJ Annotated Mild CCc1nn2c(-c3ccc(OC)cc3)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 ZINC000653767906 IJ Annotated Anodyne Cc1ccc2c(c1)C(Cl)=C(Cn1cc(COc3ccc4ccc(=O)oc4c3)nn1)CCO2 ZINC000653767935 IJ Annotated Anodyne Cc1nccnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1F ZINC000653768943 IJ Annotated Anodyne N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCSC3)Cc1ccccc1 ZINC000653769227 IJ Annotated Anodyne CCOC(=O)c1ccccc1-c1c2ccoc2c(OCCN2CCCC2)c2oc(=O)ccc12 ZINC000653769939 IJ Annotated Anodyne CCc1nn2c(-c3ccc(F)cc3OC)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 ZINC000653769991 IJ Annotated Anodyne CC1(C)c2cc(-c3cnn(C4CCNCC4)c3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 ZINC000653771310 IJ Annotated Mild COc1ccc(C[C@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653771312 IJ Annotated Anodyne COc1ccc(C[C@@H](OC(C)=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC ZINC000653771313 IJ Annotated Anodyne CCc1ccc(C(C)(C)c2cc3ccc(C#N)cc3[nH]2)cc1-c1cnn(CC(=O)N(C)C)c1 ZINC000653771337 IJ Annotated Mild O=C(CCCCCCCCc1cn(-c2cnc3ccccc3c2)nn1)N=c1cc[nH]cc1 ZINC000653773203 IJ Annotated Anodyne CCc1nn2c(-c3cc(F)cc(F)c3)c(-c3cc(OC)c(OC)c(OC)c3)nc2s1 ZINC000653773276 IJ Annotated Anodyne Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(Cl)cc1)CCN(Cc1ccccc1)C3 ZINC000653775522 IJ Annotated Mild O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1cccc(Cl)c1)C(=O)c1ccc(F)cc1 ZINC000653778067 IJ Annotated Reactive O=C(c1ccncc1)N(/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)c1ccc(F)cc1 ZINC000653778077 IJ Annotated Reactive Cc1ccc(C(=O)N(/N=C/c2c[nH]nc2-c2ccc(Cl)cc2)C(=O)c2ccncc2)cc1 ZINC000653778081 IJ Annotated Reactive N[C@H](CN=c1nc(-c2ccncc2)[nH]c2c(Br)csc12)CC1CCCCC1 ZINC000653778420 IJ Annotated Anodyne Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccc(C#N)cn3)nc(Cl)c2C)s1 ZINC000653784872 IJ Annotated Mild Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@@H]3c3ccc(C#N)cn3)nc(Cl)c2C)s1 ZINC000653784877 IJ Annotated Mild Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@H]3c3ccc(C#N)cn3)nc(Cl)c2C)s1 ZINC000653784878 IJ Annotated Mild Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccc(C#N)cn3)nc(Cl)c2C)s1 ZINC000653784879 IJ Annotated Mild O=C(OCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc(N(O)[C@@H]2CCCO2)on1 ZINC000653785965 IJ Annotated Anodyne O=C(OCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc(N(O)[C@H]2CCCO2)on1 ZINC000653785966 IJ Annotated Anodyne O=c1c(-n2cccn2)nc(Cl)c(-c2c(F)cc(F)cc2F)n1-c1ccccc1Cl ZINC000653786695 IJ Annotated Anodyne O=c1c(-n2cccn2)nc(Cl)c(-c2c(F)cc(F)cc2F)n1-c1cccc(Cl)c1 ZINC000653786729 IJ Annotated Anodyne COc1ccc(C(=O)N2N=C(c3ccc(C)c(F)c3)C[C@@]2(O)c2ccc(C)cc2)cc1F ZINC000653792925 IJ Annotated Anodyne COc1ccc(C(=O)N2N=C(c3ccc(C)c(F)c3)C[C@]2(O)c2ccc(C)cc2)cc1F ZINC000653792927 IJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000653795289 IJ Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](CCCCC)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000653795388 IJ Annotated Mild O=c1c(-n2cccn2)nc(Cl)c(-c2c(F)cc(F)cc2F)n1-c1ccc(Cl)cc1 ZINC000653796382 IJ Annotated Anodyne O=C(COc1ccc(C(=O)c2ccccc2Br)cc1)Nc1ccc(Cl)nc1 ZINC000653796385 IJ Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)CO)N2c2ccc(C#N)cc2)cc1 ZINC000653798401 IJ Annotated Mild COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)CO)N2c2ccc(C#N)cc2)cc1 ZINC000653798402 IJ Annotated Mild COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)CO)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000653798456 IJ Annotated Bother COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)CO)N2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000653798460 IJ Annotated Bother COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@@H](C)O)N2c2ccc(O)cc2)cc1 ZINC000653801329 IJ Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@H](C)O)N2c2ccc(O)cc2)cc1 ZINC000653801330 IJ Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@H](CC(=O)[C@H](C)O)N2c2ccc(O)cc2)cc1 ZINC000653801331 IJ Annotated Anodyne COc1ccc(C2=Cc3ccc(F)cc3[C@@H](CC(=O)[C@@H](C)O)N2c2ccc(O)cc2)cc1 ZINC000653801332 IJ Annotated Anodyne c1cc(C2=NCCCCN2)ccc1OCCCCCOc1ccc(C2=NCCCCN2)cc1 ZINC000653802048 IJ Annotated Anodyne c1cc(C2=NCCCN2)ccc1OCCCCCCCOc1ccc(C2=NCCCN2)cc1 ZINC000653802049 IJ Annotated Anodyne Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000653802204 IJ Annotated Reactive COc1ccnc([C@@H]2C[C@@H]2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1 ZINC000653803583 IJ Annotated Anodyne COc1ccnc([C@@H]2C[C@H]2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1 ZINC000653803585 IJ Annotated Anodyne COc1ccnc([C@H]2C[C@H]2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1 ZINC000653803587 IJ Annotated Anodyne COc1ccnc([C@H]2C[C@@H]2COc2nc(Cl)c(C)c(NCc3sc(C)nc3C)n2)c1 ZINC000653803588 IJ Annotated Anodyne COc1cccc2cc(-c3csc(-n4cc(C=O)c(-c5ccc(C)cc5)n4)n3)c(=O)oc12 ZINC000653806089 IJ Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)NC(c3ccccc3)c3ccccc3)cc12 ZINC000653809965 IJ Annotated Bother O=C(CSc1nc2ccccc2nc1C(F)(F)F)NC(=O)Nc1ccccc1Cl ZINC000653816392 IJ Annotated Anodyne Cc1c(F)cccc1NC(=O)NC(=O)CSc1nc2ccccc2nc1C(F)(F)F ZINC000653816401 IJ Annotated Anodyne COc1c2c(cc3c1CCC(C)(C)O3)OC[C@@H](c1ccc(O)c(CCC(C)(C)O)c1O)C2 ZINC000653817015 IJ Annotated Anodyne O=C(CSc1nc2ccccc2nc1Cc1ccccc1)NC(=O)Nc1ccc(F)cc1 ZINC000653817107 IJ Annotated Anodyne CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCO[N+](=O)[O-])c4ccccc34)[C@H]21 ZINC000653819673 IJ Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCO[N+](=O)[O-])c4ccccc34)[C@@H]21 ZINC000653819674 IJ Annotated Clean C[C@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccccc1Br ZINC000653822694 IJ Annotated Anodyne C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccccc1Br ZINC000653822695 IJ Annotated Anodyne COc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccc(Cl)cc4)[nH]n3)S[C@@H]2C)cc1 ZINC000653830203 IJ Annotated Anodyne COc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccc(Cl)cc4)[nH]n3)S[C@H]2C)cc1 ZINC000653830204 IJ Annotated Anodyne CC(C)[C@@H]1Sc2nnc(-c3n[nH]c4c3CCC4)n2N=C1c1ccc(Cl)c(Cl)c1 ZINC000653830238 IJ Annotated Anodyne CC(C)[C@H]1Sc2nnc(-c3n[nH]c4c3CCC4)n2N=C1c1ccc(Cl)c(Cl)c1 ZINC000653830239 IJ Annotated Anodyne C=CCn1c(C)c(C(=O)OCC)s/c1=N\c1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000653838712 IJ Annotated Mild C=CCn1c(C)c(C(=O)OCC)s/c1=N\c1sc2c(c1C(=O)OCC)CCCC2 ZINC000653838809 IJ Annotated Mild CC(C)CNC(=O)C[C@@H](C1CCCCC1)n1cc(Nc2ncnc3sccc23)cn1 ZINC000653848271 IJ Annotated Anodyne CC(C)CNC(=O)C[C@H](C1CCCCC1)n1cc(Nc2ncnc3sccc23)cn1 ZINC000653848272 IJ Annotated Anodyne O=C(Nc1nccs1)N1CCC(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000653848613 IJ Annotated Anodyne O=C(Nc1nccs1)N1CCC(c2nc(C3=NO[C@H](c4ccccc4)C3)cs2)CC1 ZINC000653848617 IJ Annotated Anodyne Cn1c(C(=O)OCc2ccccc2)cc2c(-c3ccc(NC(=O)C(C)(C)C)cc3)ncnc21 ZINC000653856186 IJ Annotated Anodyne COc1cc(C)c(CNC[C@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1C(F)(F)F ZINC000653856237 IJ Annotated Anodyne COc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1C(F)(F)F ZINC000653856240 IJ Annotated Anodyne CCN(CC)CC(=O)N1CC[C@]2(N(C)C)C[C@@H](c3ccccc3)[C@@H]1[C@@H](c1ccccc1)C2 ZINC000653862705 IJ Annotated Anodyne Oc1ccc(Br)c2nc3cc(Br)c(Br)cc3nc12 ZINC000653862860 IJ Annotated Bother O=C(Nc1nc(-c2cccc(NC(=O)C3CCCC3)c2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000653864071 IJ Annotated Bother COc1cc(C=O)cc([N+](=O)[O-])c1Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12 ZINC000653866779 IJ Annotated Bother COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc2ccccc12 ZINC000653867745 IJ Annotated Anodyne CCN(CC)CCC(=O)N1CC2[C@H](c3ccccc3)CC(N(C)C)(C[C@H]2c2ccccc2)C1 ZINC000653869275 IJ Annotated Anodyne CCN(CC)CCC(=O)N1CC2[C@@H](c3ccccc3)CC(N(C)C)(C[C@@H]2c2ccccc2)C1 ZINC000653869276 IJ Annotated Anodyne CCN(CC)CCC(=O)N1C[C@@H]2[C@@H](c3ccccc3)C[C@](N(C)C)(C[C@H]2c2ccccc2)C1 ZINC000653869277 IJ Annotated Anodyne CCOc1ccccc1OCCn1c[n+](CCOc2ccccc2OCC)c2ccccc21 ZINC000653870717 IJ Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653870774 IJ Annotated Mild COC(=O)/C=C/c1ccc(NCc2cc(Br)cc(Br)c2O)cc1 ZINC000653872520 IJ Annotated Clean COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc2ccccc2c1 ZINC000653872993 IJ Annotated Anodyne Oc1c(Br)cc(Br)c2nc3ccc(Br)cc3nc12 ZINC000653873526 IJ Annotated Bother COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C(C)C)cc1 ZINC000653874561 IJ Annotated Anodyne c1ccc(-c2cn([C@@H](CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653874608 IJ Annotated Anodyne c1ccc(-c2cn([C@H](CN3CCNCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653874612 IJ Annotated Anodyne CN(C)CCCn1cc(-c2ccc3c(c2)C(=O)c2c-3[nH]c3cc(-c4cn[nH]c4)ccc23)cn1 ZINC000653875501 IJ Annotated Anodyne O[C@]1(C(F)(F)F)CS/C(=N\c2ccc(C(F)(F)F)cc2)N1CCc1ccccn1 ZINC000653876680 IJ Annotated Mild O[C@@]1(C(F)(F)F)CS/C(=N\c2ccc(C(F)(F)F)cc2)N1CCc1ccccn1 ZINC000653876682 IJ Annotated Mild CCCCc1nc(/C=N/N2C(=O)c3cccc4c(N5CCCC5)ccc(c34)C2=O)c(Cl)[nH]1 ZINC000653887814 IJ Annotated Mild CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2c1C ZINC000653905260 IJ Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3CCCCCOc3ccccc3)O2)n1 ZINC000653905739 IJ Annotated Anodyne C[C@H]1C[C@H](C[C@@H]2CC[C@@H]3[C@@H]4C[C@@H]5[C@H](C[C@@H]3N2)C[C@@H](C)C[C@@H]5N(C)C4)[C@@H]2CCCN[C@@H]2C1 ZINC000653912894 IJ Annotated Anodyne O=[N+]([O-])c1cc2c(cc1COc1nc(C(Cl)(Cl)Cl)nc3ccccc13)OCO2 ZINC000653913907 IJ Annotated Bother CCCOCCNc1nc(Oc2ccccc2)[nH]c2nc(=O)c(-c3ccc(F)cc3)cc1-2 ZINC000653919217 IJ Annotated Anodyne CCCN(CCCNC(=S)Nc1cc(OC)c(Cl)cc1OC)C(=O)OC(C)(C)C ZINC000066066233 IJ Annotated Anodyne CCCC(=O)OCCCNC(=Nc1cc(OC)c(Cl)cc1OC)SC(=O)CCC ZINC000066066235 IJ Annotated Mild CCN(CC)c1ccc2c(c1)OC(N(C(C)=O)C(C)=O)=C(C#N)[C@@H]2c1ccc(Cl)cc1 ZINC000066066495 IJ Annotated Reactive CCN(CC)c1ccc2c(c1)OC(N(C(C)=O)C(C)=O)=C(C#N)[C@H]2c1ccc(Cl)cc1 ZINC000066066496 IJ Annotated Reactive O=[N+]([O-])c1cn(C[C@H](OCc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2F)cn1 ZINC000066078757 IJ Annotated Bother O=[N+]([O-])c1cn(C[C@@H](OCc2ccc(OC(F)(F)F)cc2)c2ccc(F)cc2F)cn1 ZINC000066078760 IJ Annotated Bother Cc1cc(C(=O)NCc2cc(Cl)ccc2CN)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066079643 IJ Annotated Anodyne Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(-c2cnccc2C(C)C)c1 ZINC000066098827 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccccn1)n1ccc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21 ZINC000066099599 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccn1)n1ccc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21 ZINC000066099601 IJ Annotated Anodyne COc1cc(-c2nnc3n2CCCN3[C@@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066100838 IJ Annotated Anodyne COc1cc(-c2nnc3n2CCCN3[C@H](C)c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000066100841 IJ Annotated Anodyne CC[C@@H](c1ccc(F)cc1)N1CCCn2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc21 ZINC000066100842 IJ Annotated Anodyne CC[C@H](c1ccc(F)cc1)N1CCCn2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc21 ZINC000066100844 IJ Annotated Anodyne CSc1nc2c(c(=O)n1C)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C=C1Cl)N2 ZINC000066101313 IJ Annotated Bother CSc1nc2c(c(=O)n1C)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)C=C1Cl)N2 ZINC000066101315 IJ Annotated Bother CCc1cccc2c(OC)c(-c3occ(C)c3C(=O)On3nnc4ccccc43)ccc12 ZINC000066102725 IJ Annotated Unstable O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)c3c2C=Nc2nnc(-c4ccccc4)n2N3)cc1 ZINC000066102909 IJ Annotated Bother COc1cc(-c2nnc3n2CCCN3[C@@H](c2ccccc2)C2CC2)ccc1-n1cnc(C)c1 ZINC000066103780 IJ Annotated Anodyne COc1cc(-c2nnc3n2CCCN3[C@H](c2ccccc2)C2CC2)ccc1-n1cnc(C)c1 ZINC000066103782 IJ Annotated Anodyne CC(C)Cc1ccc(C2=NN(c3nnc(S)n3-c3ccc(Cl)cc3)C(=O)CC2)cc1 ZINC000066104397 IJ Annotated Anodyne O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1c1nnc(S)n1-c1ccccc1 ZINC000066104401 IJ Annotated Anodyne O=C1Nc2cccc(Br)c2[C@@]12O[C@@H](COc1ccccc1)CC1=CCC[C@@H]12 ZINC000066111933 IJ Annotated Anodyne CCOc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4cccnn4)CC3)c2)nc1 ZINC000066112312 IJ Annotated Anodyne COCc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)c(CN)c1 ZINC000066112314 IJ Annotated Anodyne COCc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)c(CN)c1 ZINC000066112315 IJ Annotated Anodyne Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)cc1 ZINC000066112356 IJ Annotated Anodyne O=C1CCCC2=C1[C@@H](c1cccc(C(F)(F)F)c1)N=C(Nc1nc3ccccc3o1)N2 ZINC000066122946 IJ Annotated Mild O=C1CCCC2=C1[C@H](c1cccc(C(F)(F)F)c1)N=C(Nc1nc3ccccc3o1)N2 ZINC000066122947 IJ Annotated Mild COc1cc2c(c(OC)c1OC)[C@]1(c3ccccc3)CCCC[C@@H]1[C@@H]2NC(=O)C(F)(F)F ZINC000066123899 IJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@]1(c3ccccc3)CCCC[C@@H]1[C@@H]2NC(=O)C(F)(F)F ZINC000066123900 IJ Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@]1(c3ccccc3)CCCC[C@H]1[C@@H]2NC(=O)C(F)(F)F ZINC000066123901 IJ Annotated Anodyne CCN1C(C)=C(C(=O)OC)[C@@H](c2cccc(F)c2)N/C1=N\Cc1cccc(C(F)(F)F)c1 ZINC000066136282 IJ Annotated Mild C=CC[C@@H]1C=C(C(=O)OC)N(C(=O)C(F)(F)F)[C@H](c2ccccc2Br)[C@@H]1C ZINC000066136312 IJ Annotated Mild C=CC[C@@H]1C=C(C(=O)OC)N(C(=O)C(F)(F)F)[C@H](c2ccccc2Br)[C@H]1C ZINC000066136313 IJ Annotated Mild C=CC[C@H]1C=C(C(=O)OC)N(C(=O)C(F)(F)F)[C@H](c2ccccc2Br)[C@@H]1C ZINC000066136314 IJ Annotated Mild C=CC[C@H]1C=C(C(=O)OC)N(C(=O)C(F)(F)F)[C@H](c2ccccc2Br)[C@H]1C ZINC000066136315 IJ Annotated Mild C=CC/N=C1\N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1 ZINC000066138898 IJ Annotated Mild COc1ccc2c(c1)[C@@]1(OCCC=C[C@@H]1C)C(=O)N2Cc1ccc(Br)cc1 ZINC000066139224 IJ Annotated Anodyne COc1ccc2c(c1)[C@]1(OCCC=C[C@H]1C)C(=O)N2Cc1ccc(Br)cc1 ZINC000066139227 IJ Annotated Anodyne COc1ccc2c(c1)[C@]1(OCCC=C[C@@H]1C)C(=O)N2Cc1ccc(Br)cc1 ZINC000066139230 IJ Annotated Anodyne COc1ccc2c3c(c(=O)oc2c1)[C@@H]1O[C@@](c2ccsc2)(Cc2cc(C#N)ccc21)O3 ZINC000066139300 IJ Annotated Mild CCN1C(C)=C(C(=O)OC)[C@@H](c2cccs2)N/C1=N\Cc1cccc(C(F)(F)F)c1 ZINC000066139493 IJ Annotated Mild C/C(=N/Nc1ccc(C(=O)c2c(C)cc3ccccn23)cc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000066148685 IJ Annotated Mild O=C1CCCC2=C1[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000066148704 IJ Annotated Mild O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3n1Cc1ccccc1)N2 ZINC000066156296 IJ Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@@H]1c1ccccc1 ZINC000066156740 IJ Annotated Anodyne Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F ZINC000066157102 IJ Annotated Anodyne Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000066157104 IJ Annotated Anodyne Cc1cc2c(c(=O)n1-c1ccccc1)[C@@H]1O[C@@](c3ccsc3)(Cc3cc(C#N)ccc31)O2 ZINC000066157188 IJ Annotated Mild C[C@@H]1CCC[C@H](CO[C@@H]2CCC[C@H](/C=C3\C(=O)NN(C(=O)[s+]4cccc4)C3=O)C2)C1 ZINC000066157554 IJ Annotated Clean COc1ccc([C@@]23Cc4cc(OC)c(OC)cc4[C@@H](O2)C2=C(CC(C)(C)CC2=O)O3)cc1 ZINC000066166356 IJ Annotated Mild O=C1CCCC2=C1[C@@H](c1ccccc1C(F)(F)F)N=C(Nc1nc3ccccc3o1)N2 ZINC000066166379 IJ Annotated Mild O=C1CCCC2=C1[C@H](c1ccccc1C(F)(F)F)N=C(Nc1nc3ccccc3o1)N2 ZINC000066166381 IJ Annotated Mild O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCc1cccs1 ZINC000066166976 IJ Annotated Anodyne COc1ccc([C@@]23Cc4cc(C#N)ccc4[C@@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1 ZINC000066167333 IJ Annotated Mild CCN1CCN(c2cn(S(=O)(=O)c3ccc(C(C)C)cc3)c3ccc(Cl)cc23)CC1 ZINC000066251084 IJ Annotated Anodyne NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(Cl)c1 ZINC000066251881 IJ Annotated Anodyne C[P@@](=O)(Oc1ccccc1)N1C/C(=C\c2ccncc2)C(=O)/C(=C/c2ccncc2)C1 ZINC000066252608 IJ Annotated Mild C[P@](=O)(Oc1ccccc1)N1C/C(=C\c2ccncc2)C(=O)/C(=C/c2ccncc2)C1 ZINC000066252609 IJ Annotated Mild Cc1ccc([C@H]2[C@H](C(=O)c3cccs3)[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@H]23)cc1 ZINC000066258339 IJ Annotated Anodyne Cc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)cc1 ZINC000066258340 IJ Annotated Anodyne Cc1ccc(Nc2nn3c(-c4ccc(S(=O)(=O)c5ccccc5)cc4)nnc3s2)cc1 ZINC000066258838 IJ Annotated Anodyne COc1ccc(OC)c2c1C(=O)C=C([C@@H](CC=C(C)C)OC(=O)/C=C/c1ccccc1)C2=O ZINC000066258880 IJ Annotated Mild COc1ccc([C@@H]2[C@@H](c3ccc(F)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066259058 IJ Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccc(C)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066259172 IJ Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3cccc(OC)c3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066259796 IJ Annotated Anodyne CC(=O)n1cc(-c2cccc(C(F)(F)F)c2)nc1-c1cccc(CN2CCOCC2)c1 ZINC000066259912 IJ Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccccc2)n2c1Cc1ccccc1C2 ZINC000066260183 IJ Annotated Anodyne O=C(c1cccs1)[C@H]1[C@H](c2ccc(F)cc2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000066262062 IJ Annotated Anodyne O=C(c1cccs1)[C@H]1[C@H](c2ccc(F)cc2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000066262063 IJ Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3cccs3)[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@H]23)cc1 ZINC000066262087 IJ Annotated Anodyne COc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2cccs2)cc1 ZINC000066262088 IJ Annotated Anodyne COc1cc(OC(F)F)ccc1-n1c(C)nc2c(NC(C3CC3)C3CC3)nc(C)nc21 ZINC000068196722 IJ Annotated Anodyne N#Cc1cc(F)cc(S(=O)(=O)c2sc3ncc(N)cc3c2-c2cccc(F)c2)c1 ZINC000068197401 IJ Annotated Anodyne COc1ccc(-c2ccn(-c3ccc(C(=O)O)cc3)c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000068198709 IJ Annotated Anodyne COc1ccc(-c2ccn(-c3ccc(O)c(C(=O)O)c3)c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000068198712 IJ Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@@H](c4ccccc4)CON=C23)ccc1-n1cnc(C)c1 ZINC000068205884 IJ Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@H](c4ccccc4)CON=C23)ccc1-n1cnc(C)c1 ZINC000068205886 IJ Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@@H](c4ccc(F)cc4)CON=C23)ccc1-n1cnc(C)c1 ZINC000068205890 IJ Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@H](c4ccc(F)cc4)CON=C23)ccc1-n1cnc(C)c1 ZINC000068205892 IJ Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(C)c1 ZINC000068205922 IJ Annotated Anodyne NC1=N[C@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21 ZINC000068205980 IJ Annotated Anodyne CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1OCCO ZINC000068208107 IJ Annotated Anodyne COc1cc(C)c(Nc2nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)n[nH]2)cc1C(C)C ZINC000068245233 IJ Annotated Anodyne CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CC4)cc3n2C2CCC2)nc1 ZINC000068247456 IJ Annotated Mild C[C@]1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000068248626 IJ Annotated Anodyne C[C@@]1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000068248628 IJ Annotated Anodyne COc1cc(Cn2c(-c3ccco3)nc3cc(N4CCCC4)ccc32)cc(OC)c1OC ZINC000068249098 IJ Annotated Anodyne O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc2ccccc12)C1CC1 ZINC000068249620 IJ Annotated Anodyne O=c1ccoc2ccc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)cc12 ZINC000068251398 IJ Annotated Anodyne O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000069058973 IJ Annotated Anodyne C[C@@H]1[C@@H](O)C(=O)C[C@@H]2[C@H]1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@H](CO)C(=O)C[C@]3(C)CC[C@]12C ZINC000069482512 IJ Annotated Anodyne in-vitro biogenic CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000070454462 IJ Annotated Anodyne in-vitro CC(=O)OC[C@@]1(C(=O)O)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@H]4COC(=O)C(C)C ZINC000070455264 IJ Annotated Anodyne in-vitro biogenic CC(=O)OC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(COC(=O)C(C)C)C(=O)O)[C@H]2CC[C@@H]1C3 ZINC000070457440 IJ Annotated Anodyne in-vitro biogenic CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3Cc4ccccc4[C@@H]3O)nc21 ZINC000070719253 IJ Annotated Anodyne CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N[C@H]3Cc4ccccc4[C@H]3O)nc21 ZINC000070719256 IJ Annotated Anodyne CCOC(=O)N1N=C(c2ccc(C(F)(F)F)cc2)NN=C1c1ccc(C(F)(F)F)cc1 ZINC000071257161 IJ Annotated Anodyne CCOc1cccc2cc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)oc12 ZINC000071280562 IJ Annotated Clean CCOc1cccc2cc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)oc12 ZINC000071280564 IJ Annotated Clean CC[C@@H]1[C@@H]2Nc3ccc(Cl)cc3C(C)(C)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071281917 IJ Annotated Mild CC[C@H]1[C@@H]2Nc3ccc(Cl)cc3C(C)(C)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071281919 IJ Annotated Mild O=C(c1ccc(F)cc1C(F)(F)F)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071294245 IJ Annotated Clean O=C(c1ccc(F)cc1C(F)(F)F)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071294246 IJ Annotated Clean O=C(CCNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1csc2ccc(F)cc12 ZINC000071294537 IJ Annotated Bother COc1ccc(-c2ccn(-c3ccc(O)c([N+](=O)[O-])c3)c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000071294762 IJ Annotated Bother COc1cc(Br)cc([C@H]2C3=C(COC3=O)Nc3c2ccc2ccccc32)c1O ZINC000071295248 IJ Annotated Anodyne COc1cc(Br)cc([C@@H]2C3=C(COC3=O)Nc3c2ccc2ccccc32)c1O ZINC000071295249 IJ Annotated Anodyne O=C(c1cn2c(n1)sc1ccccc12)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071295601 IJ Annotated Clean O=C(c1cn2c(n1)sc1ccccc12)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071295602 IJ Annotated Clean CC[C@@H]1[C@@H]2Nc3ccccc3[C@@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071295755 IJ Annotated Mild CC[C@H]1[C@@H]2Nc3ccccc3[C@@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071295756 IJ Annotated Mild CCc1sc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)nc1CN(C)CCO ZINC000071295775 IJ Annotated Anodyne COc1ccc(-c2ccn(-c3ccc(C(=O)O)c(O)c3)c2-c2ccc(C(N)=O)cc2C)cc1 ZINC000071295878 IJ Annotated Anodyne Cc1ccc(C(F)(F)F)cc1Cn1c(C(=O)NCCC(C)(C)O)cc2cc(C#N)ccc21 ZINC000071296431 IJ Annotated Mild Cc1ccc(C(=O)c2nc(C)c(C)n2C/C=C/c2cccc(OC(C)(C)C(=O)O)c2)cc1 ZINC000071296475 IJ Annotated Anodyne O=C(O)CCNc1nc(Nc2ccc(Oc3ccccc3)cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000071296621 IJ Annotated Bother CONC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br ZINC000071296727 IJ Annotated Reactive CO[C@H](C[C@H](CCCCCNCCc1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1 ZINC000071296877 IJ Annotated Bother Cc1ccc(C(F)(F)F)cc1Cn1c(C(=O)NCC(C)(C)CO)cc2cc(C#N)ccc21 ZINC000071296911 IJ Annotated Mild Cc1cc(NCCN(C)C)c2ccc3c(ccc4c(NCCN(C)C)cc(C)nc43)c2n1 ZINC000071297071 IJ Annotated Bother COc1ccc([C@@H]2[C@@H](c3ccc(C)s3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071316228 IJ Annotated Anodyne COc1ccc([C@@H]2[C@H](c3ccc(C)s3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071316229 IJ Annotated Anodyne CCNc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1 ZINC000071316702 IJ Annotated Anodyne CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000071316766 IJ Annotated Mild O=C(O)CNc1nc(Nc2ccc(Oc3ccccc3)cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000071316790 IJ Annotated Bother C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)CCC(=C)[C@H]23)[C@](C)(O)CC[C@@H]1CC(=O)NCCCCl ZINC000071316989 IJ Annotated Reactive Cc1cccc(-c2nn(CC(=O)Nc3cccc(C#N)c3)cc2-c2ccc3ncccc3c2)n1 ZINC000071317222 IJ Annotated Mild CCCNc1c(F)cc2c(=O)c(C(=O)O)cn(Cc3ccc(C(F)(F)F)cc3)c2c1F ZINC000071317407 IJ Annotated Anodyne C#CCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br ZINC000071317575 IJ Annotated Reactive COc1ccc([C@@H]2[C@H](c3ccsc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071317668 IJ Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccsc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071317669 IJ Annotated Anodyne CCOc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1 ZINC000071317712 IJ Annotated Anodyne O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4ccccc4)n3c2)c1)c1ccccc1 ZINC000071318019 IJ Annotated Anodyne COc1ccc([C@@H]2/C(=C/c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071318065 IJ Annotated Anodyne Cc1cc(NCCCCN)c2ccc3c(ccc4c(NCCCCN)cc(C)nc43)c2n1 ZINC000071318265 IJ Annotated Bother COc1ccc([C@@H]2[C@H](c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071318386 IJ Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071318387 IJ Annotated Anodyne CN(C)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C(Br)Br ZINC000071318481 IJ Annotated Reactive Cn1c(=O)n([C@@H]2CCCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21 ZINC000071318517 IJ Annotated Anodyne Cn1c(=O)n([C@H]2CCCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21 ZINC000071318518 IJ Annotated Anodyne CCn1c(=O)n([C@H]2CCCN(c3ccnc(-c4cc5ccccc5o4)n3)C2)c2ccccc21 ZINC000071318543 IJ Annotated Anodyne CO[C@H](C[C@H](CCCCNCc1ccc(Cl)cc1)C(=O)NO)c1ccc(F)c(C)c1 ZINC000071318580 IJ Annotated Bother CCn1c(=O)n([C@H]2CCCN(c3ccnc(-c4ccc(Cl)s4)n3)C2)c2ccccc21 ZINC000071318603 IJ Annotated Anodyne N#CCC1=C(C#N)CC(c2ccc([N+](=O)[O-])cc2)=C(CC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000071318748 IJ Annotated Reactive CC(C)(CO)CNC(=O)c1cc2cc(C#N)ccc2n1Cc1cc(Cl)cc(Cl)c1 ZINC000071318873 IJ Annotated Mild CN(C)c1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1 ZINC000071318912 IJ Annotated Anodyne CCN(CCO)Cc1csc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)n1 ZINC000071318941 IJ Annotated Anodyne CCN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc(O)c4)c3c2)CC1 ZINC000071319198 IJ Annotated Anodyne CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1 ZINC000071329080 IJ Annotated Bother Clc1cccc2c(-c3nc(CN4CCOCC4)cs3)cn(CC3CCOCC3)c12 ZINC000071329213 IJ Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(COc3ccccc3)cc(=O)n21 ZINC000071329275 IJ Annotated Anodyne O=[N+]([O-])c1cccc(CNc2cc(C(F)(F)F)cc3ncc(N4CCOCC4)cc23)c1 ZINC000071329491 IJ Annotated Bother CCn1c(=O)n([C@@H]2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ccccc21 ZINC000071329989 IJ Annotated Anodyne COc1ccc([C@@H]2[C@H](Cc3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071330254 IJ Annotated Anodyne COc1ccc([C@@H]2[C@@H](Cc3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000071330256 IJ Annotated Anodyne OC1CCN(Cc2csc(-c3cn(CC4CCOCC4)c4c(Cl)cccc34)n2)CC1 ZINC000071330836 IJ Annotated Anodyne COc1cccc(-n2ccc(-c3ccnc(Nc4ccc(-n5nc(C)nc5C)cc4)c3)n2)c1 ZINC000071332229 IJ Annotated Anodyne O=C(/C(=N\Nc1ccc(Br)cc1)C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000071333149 IJ Annotated Mild O=C(NOCc1ccc(Cl)cc1Cl)c1cc(Br)c(Br)[nH]1 ZINC000071333770 IJ Annotated Anodyne O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@H]1c1cccc(O)c1 ZINC000071333939 IJ Annotated Anodyne O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@@H]1c1cccc(O)c1 ZINC000071333943 IJ Annotated Anodyne Cc1cc(NCCNC2CCOCC2)n2nc(C)c(-c3c(Cl)cccc3Cl)c2n1 ZINC000071334535 IJ Annotated Anodyne CCCn1c(CN2C(=O)COc3c(C)cc(C)cc32)nnc1[C@@H]1CCc2ccccc2C1 ZINC000071340945 IJ Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@@H]4C[C@@]3(CC[C@H]12)C[C@]4(O)COC(=O)c1ccco1 ZINC000071388858 IJ Annotated Anodyne Cc1cnc(N)nc1-c1cc(C(=O)NCc2ccc(F)c(Cl)c2)n(Cc2ccccc2)c1 ZINC000071788621 IJ Annotated Anodyne Cc1ccc2cccc(Oc3ccc(/C(=N/O)N4CCN(c5ccccc5)CC4)cn3)c2n1 ZINC000072100859 IJ Annotated Mild O/N=C(\NCc1cc(F)ccc1F)c1cccnc1Oc1c(F)c(F)cc(F)c1F ZINC000072101329 IJ Annotated Mild O/N=C(/c1ccc(Oc2cccc3c2CCCC3)nc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000072101509 IJ Annotated Mild O/N=C(/c1ccnc(Oc2cccc3c2CCCC3)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000072101511 IJ Annotated Mild Cc1ccc(Oc2cc(/C(=N/O)N3CCN(c4ccc(F)cc4)CC3)ccn2)c2c1CCC2 ZINC000072101548 IJ Annotated Mild Cc1ccc(Oc2ncccc2/C(=N/O)N2CCN(c3ccccc3)CC2)c2c1CCC2 ZINC000072101588 IJ Annotated Mild CCn1cc([C@H](NC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc2)cn1 ZINC000072101655 IJ Annotated Anodyne CCn1cc([C@@H](NC2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2cccnc2)cn1 ZINC000072101656 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101742 IJ Annotated Anodyne CC(C)(C)OC(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101743 IJ Annotated Anodyne O/N=C(\NCc1c(F)cccc1F)c1cccnc1Oc1c(F)c(F)cc(F)c1F ZINC000072102772 IJ Annotated Mild Cc1ccc(/C(=N/O)N2CCN(c3ccccc3)CC2)c(Oc2cccc3cnccc23)n1 ZINC000072102888 IJ Annotated Mild CN(Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072102928 IJ Annotated Anodyne CN(Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000072102929 IJ Annotated Anodyne Cc1nnc(N2CCC(N[C@@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)s1 ZINC000072102936 IJ Annotated Anodyne Cc1nnc(N2CCC(N[C@H](c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)s1 ZINC000072102937 IJ Annotated Anodyne CSc1ccccc1Oc1ncccc1/C(=N/O)N1CCN(c2ccc(F)cc2)CC1 ZINC000072103459 IJ Annotated Mild CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)Nc1ccc(F)cc1)C1CCCCC1 ZINC000072105334 IJ Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(C)c3nc2Cl)S1)C1CCCC1 ZINC000072107378 IJ Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(C)c3nc2Cl)S1)C1CCCC1 ZINC000072107379 IJ Annotated Anodyne COc1cc([C@@H]2C(C)=NN(C(C)=O)[C@H]2c2ccc(Br)cc2)cc(OC)c1OC ZINC000072107477 IJ Annotated Anodyne COc1cc(-c2nc(/C=C3/C(=O)N(C)c4ccccc43)c3ccccn23)cc(OC)c1OC ZINC000072108179 IJ Annotated Clean CC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072108502 IJ Annotated Anodyne CC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072108503 IJ Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2cccnc2)cs1)C1CCCCC1 ZINC000072108577 IJ Annotated Anodyne CCC(=O)O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109079 IJ Annotated Mild CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3ccccc3nc2Cl)S1)C1CCCCC1 ZINC000072109277 IJ Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3ccccc3nc2Cl)S1)C1CCCCC1 ZINC000072109278 IJ Annotated Anodyne C/C(=N\OCCN1CCOCC1)c1ccc(Nc2c3ccccc3nc3occc23)cc1 ZINC000072109354 IJ Annotated Mild CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc(O)c(Br)c1 ZINC000072110232 IJ Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)[C@H](N1CCCC1)c1cc(-c3ccccc3)cnc1C=C2 ZINC000072110239 IJ Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)[C@@H](N1CCCC1)c1cc(-c3ccccc3)cnc1C=C2 ZINC000072110240 IJ Annotated Anodyne C=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)[C@H](OC(=O)[C@H](C)C[C@H](C)C[C@H](C)CC)CC[C@@H]1C ZINC000072110819 IJ Annotated Mild C=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)[C@H](OC(=O)[C@H](C)C[C@H](C)C[C@@H](C)CC)CC[C@@H]1C ZINC000072110820 IJ Annotated Mild C=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)[C@H](OC(=O)[C@H](C)C[C@@H](C)C[C@H](C)CC)CC[C@@H]1C ZINC000072110821 IJ Annotated Mild C=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)[C@H](OC(=O)[C@H](C)C[C@@H](C)C[C@@H](C)CC)CC[C@@H]1C ZINC000072110822 IJ Annotated Mild O=[N+]([O-])c1ccc([C@]2(O)C[n+]3cccnc3N2C2CCCCCCCCCCC2)cc1 ZINC000072111391 IJ Annotated Bother CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ncc[nH]2)C(C(=O)Nc2ccc(C)cc2)=C(C)N1 ZINC000072112020 IJ Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CN(CC(C)C)CCN1C3 ZINC000072112107 IJ Annotated Bother COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCN(CC2CC2)CN1C3 ZINC000072112430 IJ Annotated Bother CCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000072112534 IJ Annotated Mild O=C(O)c1cn(Cc2ccccc2)c2ccc(Cc3cccc(Cl)c3F)c(O)c2c1=O ZINC000072113138 IJ Annotated Anodyne CCOC(=O)C[C@H]1C(C(=O)OCC)=C(C)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000072113860 IJ Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(C)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000072113861 IJ Annotated Anodyne CC(C)n1ccnc1N/C(=N\C(=O)Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000072116467 IJ Annotated Mild Cc1cc(=O)oc2c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c(SC(C)C)ccc12 ZINC000072116736 IJ Annotated Anodyne O=C1OCC(Nc2cc(Br)cc(Br)c2)=C1c1ccc(F)cc1 ZINC000072116859 IJ Annotated Anodyne CC(C)C(=O)/N=C(\Nc1ccc(Cl)c(Cl)c1)Nc1nccn1Cc1ccccc1 ZINC000072116996 IJ Annotated Mild O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NCc1ccc(F)cc1 ZINC000072117011 IJ Annotated Reactive CCc1cc(=O)c2ccc(OC(C)C)c(COC[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072118005 IJ Annotated Anodyne CCc1cc(=O)c2ccc(OC(C)C)c(COC[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072118006 IJ Annotated Anodyne CCCc1ccc([C@H](CC(=O)O)Cc2nc3cc(I)ccc3[nH]2)cc1 ZINC000072118412 IJ Annotated Anodyne CCCc1ccc([C@@H](CC(=O)O)Cc2nc3cc(I)ccc3[nH]2)cc1 ZINC000072118413 IJ Annotated Anodyne C=CCc1ccc(OCC(=O)OCC)c(-c2ccc(OCC(=O)OCC)c(CC=C)c2)c1 ZINC000072118637 IJ Annotated Mild O=S(=O)(CC1=NCCO1)c1c(-c2ccc(Cl)cc2)noc1-c1ccc(Cl)cc1 ZINC000072118915 IJ Annotated Anodyne COc1cc(N2C(=O)[C@H](c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000072119901 IJ Annotated Clean Cc1ccc(NC(=O)CSc2ncnn2-c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000072119967 IJ Annotated Bother C[C@@H](c1ccccc1)N1C[C@H](COCc2ccccc2)Oc2cccc(F)c2S1(=O)=O ZINC000072120507 IJ Annotated Anodyne C[C@H](c1ccccc1)N1C[C@H](COCc2ccccc2)Oc2cccc(F)c2S1(=O)=O ZINC000072120508 IJ Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000072120593 IJ Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000072121393 IJ Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000072121394 IJ Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(N2CCCCC2)cc1 ZINC000072122676 IJ Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(-c3ccc(OC(F)F)cc3)cc1)C2 ZINC000072122760 IJ Annotated Bother Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2cccnc2)cc1 ZINC000072123117 IJ Annotated Clean O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccccc1)C2 ZINC000072123312 IJ Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 ZINC000072123338 IJ Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2 ZINC000072123520 IJ Annotated Bother C[C@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000072123528 IJ Annotated Bother C[C@@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000072123529 IJ Annotated Bother Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccncc2)cc1 ZINC000072124979 IJ Annotated Clean O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H](c3ccccc3)[C@@H]1c1cn[nH]c1C2 ZINC000072124981 IJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2CC[C@@H](c3ccccc3)[C@@H]1Cc1[nH]ncc12 ZINC000072125131 IJ Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1 ZINC000072126032 IJ Annotated Reactive Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1 ZINC000072126033 IJ Annotated Reactive COc1cc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1 ZINC000072126294 IJ Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccccc1 ZINC000072126983 IJ Annotated Anodyne CCOC(=O)c1c2c(n(C3CCCCC3)c1CN(C)C)CC(Br)=C(OC)C2 ZINC000072134200 IJ Annotated Anodyne O=S1(=O)c2ccc(Br)cc2OC[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000072136694 IJ Annotated Anodyne Cc1ccccc1CN1[C@H](CC(C)C)COc2cc(Br)ccc2S1(=O)=O ZINC000072136933 IJ Annotated Anodyne COc1ccc(CN2CC[C@@H]3CN(C(C)=O)[C@H](c4ccccc4Br)C[C@@H]32)cc1 ZINC000072137713 IJ Annotated Anodyne O[C@@H]1CN(Cc2cccs2)[C@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072137834 IJ Annotated Anodyne O[C@@H]1CN(Cc2cccs2)[C@@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072137835 IJ Annotated Anodyne O[C@@H]1CN(Cc2cccs2)[C@H](c2ccccc2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072137836 IJ Annotated Anodyne Fc1cccc(-c2ccc3c(c2)CN(C(=S)NCCc2ccccc2)Cc2cnnn2-3)c1 ZINC000072138119 IJ Annotated Anodyne O=S1(=O)c2cccc(Cl)c2OC[C@@H](c2ccccc2)N1Cc1ccc(F)cc1F ZINC000072138180 IJ Annotated Anodyne O=S1(=O)c2cccc(Cl)c2OC[C@H](c2ccccc2)N1Cc1ccc(F)cc1F ZINC000072138181 IJ Annotated Anodyne O[C@@H]1C[C@@H](c2ccccc2)N(Cc2cccs2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072138235 IJ Annotated Anodyne O[C@@H]1C[C@H](c2ccccc2)N(Cc2cccs2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1 ZINC000072138236 IJ Annotated Anodyne CC1(C)CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000072139439 IJ Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(Cc3ccc(OC)cc3C)n2c1 ZINC000072139604 IJ Annotated Anodyne CSCC[C@H](C(=O)Nc1c(C)cccc1C)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139773 IJ Annotated Anodyne CSCC[C@@H](C(=O)Nc1c(C)cccc1C)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072139774 IJ Annotated Anodyne C=CC[C@H]1C(C(=O)OCC)=CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000072139910 IJ Annotated Mild COc1ccc(CN[C@@H](CC(C)C)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1 ZINC000072140985 IJ Annotated Anodyne COc1ccc(CN[C@H](CC(C)C)c2nc(Cc3ccccc3)c(N3CCOCC3)o2)cc1 ZINC000072140986 IJ Annotated Anodyne COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccc(Cl)cc2)cc1 ZINC000072141067 IJ Annotated Anodyne C[C@]1([C@@H](O)c2ccc(Cl)cc2)NC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072141079 IJ Annotated Anodyne CCOC(=O)C1=C[C@@H](CC)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000072141100 IJ Annotated Anodyne C=CCc1ccc(Oc2ccc(/C(=N/O)N3CCN(c4ccccc4)CC3)cn2)c(OC)c1 ZINC000072141207 IJ Annotated Mild Clc1ccc([C@@](NCCN2CCOCC2)(c2cccnc2)c2ccccc2Cl)cc1 ZINC000072141528 IJ Annotated Anodyne Clc1ccc([C@](NCCN2CCOCC2)(c2cccnc2)c2ccccc2Cl)cc1 ZINC000072141529 IJ Annotated Anodyne CCOc1ccc([C@@H]2[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072142641 IJ Annotated Anodyne CC(C)[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccccc1 ZINC000072142779 IJ Annotated Anodyne CC(C)[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccccc1 ZINC000072142780 IJ Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172043 IJ Annotated Anodyne COc1cc(-c2ccc(N[C@H](c3ccc(F)cc3)C(C)(C)O)nn2)ccc1-n1cnc(C)c1 ZINC000072173103 IJ Annotated Anodyne COc1cc(-c2cc(C#N)c(N[C@@H](C)c3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1 ZINC000072173359 IJ Annotated Mild C[C@@H]1CCCCCCCCC[C@H](OC(=O)CCC(=O)OC(C)(C)C)C(=O)/C=C/C(=O)O1 ZINC000072175194 IJ Annotated Mild COc1cc2c(-c3cc(-c4ccc(F)cc4F)c(C#N)c(N)n3)c[nH]c2c(OC)c1OC ZINC000072175559 IJ Annotated Mild C/C(=N\NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)cc1 ZINC000072175585 IJ Annotated Reactive COc1cc2c(-c3cc(-c4ccc(F)c(F)c4)c(C#N)c(N)n3)c[nH]c2c(OC)c1OC ZINC000072176188 IJ Annotated Mild CCc1c(CN2CCCc3ccccc32)nc(SCC(=O)c2ccc(C)cc2)[nH]c1=O ZINC000072176451 IJ Annotated Anodyne Cc1c(CN2CCCc3ccccc32)nc(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O ZINC000072176541 IJ Annotated Anodyne COc1cc(-c2cc(-c3cn(C)c4cc(F)ccc34)nc(N)c2C#N)cc(OC)c1OC ZINC000072176595 IJ Annotated Mild COc1cc(-c2cc(-c3cn(C)c4ccc(F)cc34)nc(N)c2C#N)cc(OC)c1OC ZINC000072176600 IJ Annotated Mild COc1ccc(-c2cc(-c3cn(C)c4ccc(F)cc34)nc(N)c2C#N)c(OC)c1OC ZINC000072177034 IJ Annotated Mild C[C@@]1([C@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072177473 IJ Annotated Anodyne C[C@]1([C@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072177474 IJ Annotated Anodyne C[C@@]1([C@@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072177475 IJ Annotated Anodyne C[C@]1([C@@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000072177476 IJ Annotated Anodyne CNC(=O)c1cc(-c2ccc(N[C@@H](C)c3ccc(F)cc3)nc2)ccc1-n1cnc(C)c1 ZINC000072178263 IJ Annotated Anodyne Cc1cccc(C)c1Oc1c(C(=O)N2CCN[C@@H](C)C2)c2ncccc2n1-c1ccccc1 ZINC000072178286 IJ Annotated Anodyne O[C@H](CNCCNC1CCCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072178734 IJ Annotated Anodyne O[C@@H](CNCCNC1CCCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072178735 IJ Annotated Anodyne C[C@@H](CNC1CCCC1)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180010 IJ Annotated Anodyne C[C@H](CNC1CCCC1)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180011 IJ Annotated Anodyne C[C@@H](CNC1CCCC1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180012 IJ Annotated Anodyne C[C@H](CNC1CCCC1)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072180013 IJ Annotated Anodyne O/N=C(\NCc1cc(F)cc(F)c1)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 ZINC000072180061 IJ Annotated Mild CSc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCN(C3CCCC3)CC2)cc1C ZINC000072180181 IJ Annotated Mild C=Cc1ccccc1Cn1nc(C)c(CN(C)C[C@H](O)COc2ccc(Cl)cc2)c1C ZINC000072180339 IJ Annotated Anodyne C=Cc1ccccc1Cn1nc(C)c(CN(C)C[C@@H](O)COc2ccc(Cl)cc2)c1C ZINC000072180340 IJ Annotated Anodyne CN(CCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCC1 ZINC000072180614 IJ Annotated Anodyne CN(CCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCC1 ZINC000072180615 IJ Annotated Anodyne O/N=C(/c1cccnc1Oc1cccc(C(F)(F)F)c1)N1CCN(C2CCCC2)CC1 ZINC000072180807 IJ Annotated Mild CCN(CC)CCOc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1 ZINC000072180880 IJ Annotated Clean CCN(CC)CCOc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1 ZINC000072180881 IJ Annotated Clean O/N=C(/c1ccnc(Oc2ccc(F)c(Cl)c2)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000072180952 IJ Annotated Mild Cc1ccc(Oc2cc(/C(=N/O)N3CCN(c4ccccc4)CC3)ccn2)c2c1CCC2 ZINC000072181024 IJ Annotated Mild C[C@@H](CNC(C)(C)C)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181099 IJ Annotated Anodyne C[C@H](CNC(C)(C)C)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181100 IJ Annotated Anodyne C[C@@H](CNC(C)(C)C)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181101 IJ Annotated Anodyne C[C@H](CNC(C)(C)C)NC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181102 IJ Annotated Anodyne COc1cc(CN(C)Cc2coc(-c3ccc(Br)cc3)n2)cc(OC)c1OC ZINC000072181387 IJ Annotated Anodyne Cc1cnc2c(C(=O)N3CCNCC3)c(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1 ZINC000072181541 IJ Annotated Anodyne CCc1sc(-c2ccccc2S(C)(=O)=O)cc1C(=O)Nc1nc2c(s1)CCC2 ZINC000072181627 IJ Annotated Anodyne C=CCc1ccc(Oc2nc(C)ccc2/C(=N/O)NCc2ccc(OC)cc2)c(OC)c1 ZINC000072182105 IJ Annotated Mild COC(=O)C1CCN(/C(=N\O)c2ccc(C)nc2Oc2cc(C)cc(C(C)C)c2)CC1 ZINC000072182367 IJ Annotated Mild O/N=C(/c1ccnc(Oc2cccc3c2CCCC3)c1)N1CCN(c2ccccc2)CC1 ZINC000072182502 IJ Annotated Mild Cc1ccc2cccc(Oc3cc(/C(=N/O)N4CCN(c5ccccc5)CC4)ccn3)c2n1 ZINC000072182700 IJ Annotated Mild O/N=C(/c1cccnc1Oc1ccc(F)c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000072183236 IJ Annotated Mild O/N=C(\NCc1cc(F)ccc1F)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 ZINC000072183294 IJ Annotated Mild Cc1ccc(/C(=N/O)N2CCN(c3ccccc3)CC2)c(Oc2ccc(F)c(Cl)c2)n1 ZINC000072183481 IJ Annotated Mild COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccncc3)[C@@H]1C2 ZINC000072183511 IJ Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccncc3)[C@@H]1C2 ZINC000072183512 IJ Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccncc3)[C@H]1C2 ZINC000072183513 IJ Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccncc3)[C@H]1C2 ZINC000072183514 IJ Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@H](c3ccncc3)[C@@H]1C2 ZINC000072183553 IJ Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@@H](c3ccncc3)[C@@H]1C2 ZINC000072183554 IJ Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@H](c3ccncc3)[C@H]1C2 ZINC000072183555 IJ Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3c(C)cccc3C)[C@@H](c3ccncc3)[C@H]1C2 ZINC000072183556 IJ Annotated Anodyne Cc1ccc(F)c(C)c1Oc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 ZINC000072183558 IJ Annotated Anodyne Cc1cccc(C)c1Sc1c(C(=O)N2CCNCC2)c2ncccc2n1-c1ccccc1 ZINC000072183559 IJ Annotated Anodyne O=C1CCCN1CCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12 ZINC000072183797 IJ Annotated Anodyne O/N=C(/c1ccc(Oc2cccc3c2CCCC3)nc1)N1CCN(c2ccccc2)CC1 ZINC000072183807 IJ Annotated Mild Brc1ccc(-c2nc(CN3CCN(C/C=C/c4ccccc4)CC3)co2)cc1 ZINC000072184252 IJ Annotated Anodyne CCn1cc([C@H](NC2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c2cccnc2)cn1 ZINC000072184543 IJ Annotated Clean CCn1cc([C@@H](NC2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c2cccnc2)cn1 ZINC000072184544 IJ Annotated Clean Cc1ccc(/C(=N/O)N2CC[C@H](N(C)C)C2)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072184921 IJ Annotated Mild Cc1ccc(/C(=N/O)N2CC[C@@H](N(C)C)C2)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072184922 IJ Annotated Mild O/N=C(\NCc1c(F)cccc1F)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 ZINC000072185150 IJ Annotated Mild CC(C)c1ccc(S(=O)(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)cc1 ZINC000072185325 IJ Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)cc1 ZINC000072185326 IJ Annotated Anodyne O/N=C(/c1ccc(Oc2cc(Cl)ccc2Cl)nc1)N1CCN(C2CCCC2)CC1 ZINC000072185363 IJ Annotated Mild N#Cc1cnc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)s1 ZINC000072185727 IJ Annotated Mild N#Cc1cnc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)s1 ZINC000072185728 IJ Annotated Mild O/N=C(/c1ccc(Oc2ccc(Cl)cc2)nc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000072185831 IJ Annotated Mild O=C(NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)C1CCCCC1 ZINC000072185934 IJ Annotated Anodyne O=C(NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)C1CCCCC1 ZINC000072185935 IJ Annotated Anodyne CCOc1ccccc1CN/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 ZINC000072186098 IJ Annotated Mild O/N=C(/c1ccnc(Oc2ccc(F)c(Cl)c2)c1)N1CCN(c2ccccc2)CC1 ZINC000072186201 IJ Annotated Mild O=C1CCCN1CCCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12 ZINC000072186274 IJ Annotated Anodyne O/N=C(/c1cccnc1Oc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000072186367 IJ Annotated Mild Cc1ccc(/C(=N/O)N2CCCN(C)CC2)c(Oc2ccc3oc4ccccc4c3c2)n1 ZINC000072186545 IJ Annotated Mild O/N=C(/c1cccnc1Oc1ccc(F)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000072186604 IJ Annotated Mild CCC(C)(C)c1ccc(Oc2ccc(NS(=O)(=O)C3CCN(C(C)=O)CC3)cc2)cc1 ZINC000072313005 IJ Annotated Anodyne O=S(=O)(c1cccc2cccnc12)N1Cc2ccccc2COC[C@H]1Cc1ccccc1 ZINC000072316529 IJ Annotated Anodyne O=S(=O)(c1cccc2cccnc12)N1Cc2ccccc2COC[C@@H]1Cc1ccccc1 ZINC000072316530 IJ Annotated Anodyne N#Cc1cccc(C(=O)c2sc3nc(N)c(C#N)c(-c4ccccc4Cl)c3c2N)c1 ZINC000072316646 IJ Annotated Mild CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cn1)c1ccc(OCC2CCC2)cc1 ZINC000072316694 IJ Annotated Anodyne CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)[C@@H](Cl)C[C@]4(O)C3=CC[C@@H]12 ZINC000072317845 IJ Annotated Anodyne CC1(C)CCN(C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccc(Cl)cc3)c21 ZINC000072318523 IJ Annotated Anodyne N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)Nc3nc(-c4ccco4)cs3)cc12 ZINC000072323804 IJ Annotated Mild N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)NCc3cc(-c4cccs4)on3)cc12 ZINC000072323831 IJ Annotated Mild O=C(O)c1cc(-c2ccc(/C=C3\CC(=O)N(CCc4ccccc4)C3=O)o2)ccc1Cl ZINC000073137873 IJ Annotated Anodyne COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000073137880 IJ Annotated Mild COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000073137884 IJ Annotated Mild CCN1Cc2ccc(N3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)cc2C1=O ZINC000073140753 IJ Annotated Clean CCCn1nc(-c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1C(=O)NN ZINC000073141036 IJ Annotated Reactive CCOC(=O)C/N=C\C(CC)(CC)SSC(/C=N/CC(=O)OCC)(CC)CC ZINC000073163774 IJ Annotated Reactive Cc1cc(N2C(=O)CS[C@H]2c2c(Cl)cncc2Cl)nc(C)c1Br ZINC000073165744 IJ Annotated Anodyne Cc1cc(N2C(=O)CS[C@@H]2c2c(Cl)cncc2Cl)nc(C)c1Br ZINC000073165747 IJ Annotated Anodyne CCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(Cl)cc3Cl)n2)c2ccccc21 ZINC000073166085 IJ Annotated Reactive CCN(CCCCN1CC[C@@H]2CCCC[C@@H]2C1)S(=O)(=O)c1cnc2ccccc2c1 ZINC000073169517 IJ Annotated Anodyne CCN(CCCCN1CC[C@@H]2CCCC[C@@H]2C1)S(=O)(=O)c1cccc2cccnc12 ZINC000073170188 IJ Annotated Anodyne CCN(CCCCCN1CC[C@@H]2CCCC[C@@H]2C1)S(=O)(=O)c1cccc2cccnc12 ZINC000073170189 IJ Annotated Anodyne CC(=O)N1CCc2ccc(C(=O)CCCN(C)Cc3cccc4ccccc34)cc2CC1 ZINC000073196634 IJ Annotated Anodyne NC1=Nc2ccc(Oc3ccccc3)cc2CN1CCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000073197228 IJ Annotated Anodyne CCCCN(CCCC)Cc1cn([C@@H]2CCCC[C@@H]2OC(=O)Cc2ccccc2)nn1 ZINC000073197294 IJ Annotated Anodyne CCCCN(CCCC)Cc1cn([C@H]2CCCC[C@@H]2OC(=O)Cc2ccccc2)nn1 ZINC000073197295 IJ Annotated Anodyne CCCCN(CCCC)Cc1cn([C@@H]2CCCC[C@H]2OC(=O)Cc2ccccc2)nn1 ZINC000073197296 IJ Annotated Anodyne CCCCN(CCCC)Cc1cn([C@H]2CCCC[C@H]2OC(=O)Cc2ccccc2)nn1 ZINC000073197297 IJ Annotated Anodyne Cc1cc(F)ccc1-n1nc(C(F)(F)F)cc1-c1cc(Cl)c2c(c1)NC(=O)CO2 ZINC000073197628 IJ Annotated Anodyne Cc1c(Cc2ccccc2)sc(NCC(=O)COc2ccc3ccccc3c2)c1C(N)=O ZINC000073199105 IJ Annotated Anodyne CN(C)CCCNc1nc(NCCC2=CCCCC2)nc(NCCC2=CCCCC2)n1 ZINC000073200510 IJ Annotated Anodyne COc1ccc(SC2=C(Sc3ccc(OC)cc3)C(=O)c3ncncc3C2=O)cc1 ZINC000073219139 IJ Annotated Mild CCC(CC)C(=O)Nc1ccc(N(C)S(C)(=O)=O)c(OCc2cc(C)ccc2C)c1 ZINC000073221251 IJ Annotated Anodyne CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000073221558 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccccc2C(=O)/C=C/c2cccc(F)c2)cc1 ZINC000073223617 IJ Annotated Mild CN(C)c1ccc(-c2cc(C(=O)O)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1 ZINC000073223838 IJ Annotated Anodyne O=C1N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1Cc1ccccc1 ZINC000073223959 IJ Annotated Anodyne O=C1N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1Cc1ccccc1 ZINC000073223961 IJ Annotated Anodyne O=C1N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1Cc1ccccc1 ZINC000073223964 IJ Annotated Anodyne O=C1N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1Cc1ccccc1 ZINC000073223965 IJ Annotated Anodyne O=C1N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1C1CCCCC1 ZINC000073224248 IJ Annotated Anodyne O=C1N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1C1CCCCC1 ZINC000073224249 IJ Annotated Anodyne O=C1N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1C1CCCCC1 ZINC000073224250 IJ Annotated Anodyne O=C1N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1C1CCCCC1 ZINC000073224251 IJ Annotated Anodyne O=C1N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccccc1 ZINC000073224252 IJ Annotated Anodyne O=C1N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccccc1 ZINC000073224253 IJ Annotated Anodyne O=C1N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccccc1 ZINC000073224254 IJ Annotated Anodyne O=C1N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccccc1 ZINC000073224255 IJ Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc3c(cc2Cl)nnn3Cc2n[nH]c3ncccc23)c1 ZINC000073224446 IJ Annotated Mild O=C(NCCCl)NCCN1c2nc3ccccc3cc2Sc2cc3ccccc3nc21 ZINC000073225050 IJ Annotated Reactive Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccccc2C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000073240095 IJ Annotated Mild Clc1ccc(-c2cc3c(o2)-c2nccn2-c2ccc(N4CCNCC4)cc2OC3)cc1 ZINC000073240414 IJ Annotated Anodyne N#Cc1cc(Cl)cc(Oc2c(Cl)ccc3c2nnn3Cc2n[nH]c3ncccc23)c1 ZINC000073240562 IJ Annotated Mild O=C1O[C@H](Cl)C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)=C1Cl ZINC000073241679 IJ Annotated Reactive O=C1O[C@@H](Cl)C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)=C1Cl ZINC000073241680 IJ Annotated Reactive Cc1ccc(C(=O)N/N=C(\N=N\c2ccccc2C(=O)O)c2ccc(N(C)C)cc2)cc1 ZINC000073242380 IJ Annotated Reactive C=CCc1ccc(OC)c(-c2ccc(OC)c(C(=O)c3cn(Cc4ccccc4)nn3)c2)c1 ZINC000073257946 IJ Annotated Mild O=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000073258744 IJ Annotated Anodyne CCCCCCCOc1c(OC)ccc2c1[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000073273672 IJ Annotated Mild CCOc1cc(Cl)ccc1-c1ccc(CCC(=O)O)n1-c1ccc(C(N)=O)cc1C ZINC000073274718 IJ Annotated Clean CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2cccnc2)c(Cl)c1 ZINC000073295499 IJ Annotated Anodyne C[C@@](O)(CSc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000073295576 IJ Annotated Bother C[C@](O)(CSc1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000073295579 IJ Annotated Bother Cc1ccccc1-n1c(C)nc2cc(N3C(=O)CS[C@H]3c3ccc(F)cc3)ccc2c1=O ZINC000073297809 IJ Annotated Anodyne Cc1ccccc1-n1c(C)nc2cc(N3C(=O)CS[C@@H]3c3ccc(F)cc3)ccc2c1=O ZINC000073297811 IJ Annotated Anodyne COc1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccc12 ZINC000073311259 IJ Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccc(F)cc2)=CC(=O)C[C@H]1C ZINC000073315034 IJ Annotated Mild OC1=NC(=S)S/C1=C\c1c(-c2ccc(F)cc2)nc2sc(C(F)(F)F)nn12 ZINC000073315636 IJ Annotated Anodyne O=C(N1CCC(F)CC1)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073386183 IJ Annotated Anodyne O=C(N1CCC(F)CC1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 ZINC000073386186 IJ Annotated Anodyne COc1ccc(-c2nc3sc(C(F)(F)F)nn3c2/C=C2\SC(=S)N=C2O)cc1 ZINC000073390732 IJ Annotated Anodyne Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n(CCN3CCCCC3)c2n1 ZINC000007991818 IJ Annotated Anodyne Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n(CC3CCN(C)CC3)c2n1 ZINC000007991848 IJ Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@H]1Oc1ccc2oc(=O)cc(C)c2c1 ZINC000008019233 IJ Annotated Anodyne CCOC(=O)OC[C@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1ccc2oc(=O)cc(C)c2c1 ZINC000008019241 IJ Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1ccc2oc(=O)cc(C)c2c1 ZINC000008019249 IJ Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](C[C@H]5CCCC[C@@]54C(C)=O)[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000008035496 IJ Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000008234220 IJ Annotated Mild in-vitro CCOc1cc([C@@H]2C(C(=O)N3CCCCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@@H]32)ccc1O ZINC000008463203 IJ Annotated Anodyne COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@H]34)[C@@H](C)C2)c1 ZINC000082051242 IJ Annotated Anodyne COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@@H](C)C2)c1 ZINC000082051243 IJ Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(CCc4c[nH]c5ccccc45)C(C)=O)[C@H]3C[C@H]12 ZINC000082051834 IJ Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(CCc4c[nH]c5ccccc45)C(C)=O)[C@H]3C[C@H]12 ZINC000082051835 IJ Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(CCc4c[nH]c5ccccc45)C(C)=O)[C@H]3C[C@@H]12 ZINC000082051836 IJ Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(CCc4c[nH]c5ccccc45)C(C)=O)[C@H]3C[C@@H]12 ZINC000082051838 IJ Annotated Mild CC(=O)N(CCc1c[nH]c2ccccc12)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000082051840 IJ Annotated Anodyne CC(=O)N(CCc1c[nH]c2ccccc12)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000082051842 IJ Annotated Anodyne COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(CC(=O)C(C)(C)C)ns2)cc1 ZINC000082052491 IJ Annotated Anodyne CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1ccc1ccccc21 ZINC000082053266 IJ Annotated Reactive CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1ccc1ccccc21 ZINC000082053269 IJ Annotated Reactive CCOP(=O)(OCC)c1c(C(F)(F)F)nc2cc(-c3ccc(Cl)cc3)nn2c1N ZINC000082053314 IJ Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)O ZINC000082055591 IJ Annotated Mild CCOc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)O ZINC000082055592 IJ Annotated Mild Cc1nn(C(C)C)c(C)c1[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C(=O)[C@@]23CCCN13 ZINC000082056097 IJ Annotated Anodyne CCCN(CC1CC1)c1nc(NCc2ccccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082065780 IJ Annotated Anodyne C=C(C)CN(CC)c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082065795 IJ Annotated Mild C=C(C)CN(CC)c1nc(NCc2ccccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082065824 IJ Annotated Mild COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N3CCC(C)CC3)n2)cc1 ZINC000082065922 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N3CCC(C)CC3)n2)cc1 ZINC000082065991 IJ Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N2CCC(C)CC2)n1 ZINC000082066009 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066013 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066014 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066016 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066031 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066033 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066034 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066066 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066067 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066068 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066081 IJ Annotated Anodyne C=CCN(CC=C)c1nc(NCc2cc(F)ccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066159 IJ Annotated Mild CCCCN(CC)c1nc(NCc2ccccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066215 IJ Annotated Anodyne C=CCN(CC=C)c1nc(NCc2ccccc2OCC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066264 IJ Annotated Mild C=CCN(C)c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066273 IJ Annotated Mild C=CCN(CC=C)c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066296 IJ Annotated Mild CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CCC#N)Cc2ccccc2)n1 ZINC000082066550 IJ Annotated Mild CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N(CCC#N)Cc2ccccc2)n1 ZINC000082066551 IJ Annotated Mild COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CC=CCC3)n2)cc1 ZINC000082066767 IJ Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CC=CCC3)n2)cc1 ZINC000082066768 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066843 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066844 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066845 IJ Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066917 IJ Annotated Anodyne COc1ccc(Oc2nc(NCc3ccco3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066967 IJ Annotated Anodyne C=CCN(CC=C)c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082067021 IJ Annotated Mild C=CCN(CC=C)c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000082067022 IJ Annotated Mild COc1ccc(Oc2nc(NCc3ccco3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067107 IJ Annotated Anodyne C=CCN(c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067294 IJ Annotated Mild C=CCN(c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067295 IJ Annotated Mild Cc1ccc(Oc2cncc(NCCCC(C)(C)CO)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068450 IJ Annotated Anodyne OCCOCCNc1cncc(Oc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000082068474 IJ Annotated Anodyne CCCCOCCCNc1cncc(Oc2ccc(C)cc2-n2nc3ccccc3n2)n1 ZINC000082068567 IJ Annotated Anodyne COc1ccc(CNc2cncc(Oc3ccc(C)cc3-n3nc4ccccc4n3)n2)cc1 ZINC000082068753 IJ Annotated Anodyne CCCCNC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3OCC)n2)cc1 ZINC000082069838 IJ Annotated Anodyne O=C(OCCc1ccccn1)c1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000082069857 IJ Annotated Anodyne CCCCOCCOC(=O)c1ccc(CNC(=O)c2coc(-c3ccc(C)cc3)n2)cc1 ZINC000082069884 IJ Annotated Anodyne CCCCOCCOC(=O)c1ccc(CNC(=O)c2coc(-c3ccccc3C)n2)cc1 ZINC000082069896 IJ Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCC2CCCCC2)cs1 ZINC000082074127 IJ Annotated Anodyne CCCCNC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000082074905 IJ Annotated Anodyne CCC#CCOC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000082075084 IJ Annotated Mild CCCCOC(=O)COC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082075122 IJ Annotated Anodyne COc1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3Cc2ccccc2)c(OC)c1 ZINC000082078725 IJ Annotated Anodyne OCC/N=C(\O)c1cccc(-c2nccc3[nH]nc(-c4cccc(C(F)(F)F)c4)c23)c1 ZINC000082078799 IJ Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2nccc3[nH]nc(-c4cccc(OC(F)(F)F)c4)c23)c1 ZINC000082078884 IJ Annotated Anodyne Cn1c(-c2cccc(C(F)(F)F)c2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)cc21 ZINC000082079012 IJ Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2nccc3[nH]nc(-c4cccc(C(F)(F)F)c4)c23)c1 ZINC000082079107 IJ Annotated Anodyne COc1ccccc1-c1nc2ccc(/N=C(\O)c3cccc(OC(F)(F)F)c3)cn2n1 ZINC000082079165 IJ Annotated Mild COc1cc(-c2nc3ccc(/N=C(\O)c4cccc(Cl)c4)cn3n2)cc(OC)c1OC ZINC000082079330 IJ Annotated Anodyne COc1cccc(-c2nc3ccc(/N=C(\O)c4cccc(OC(F)(F)F)c4)cn3n2)c1 ZINC000082079406 IJ Annotated Mild O=C(NCCC1=CCCCC1)c1ccc(CNC(=O)c2coc(-c3cccs3)n2)cc1 ZINC000082081711 IJ Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC)c(OC)c3)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000082081790 IJ Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC)cc3C)cc2n1-c1cccc(C(F)(F)F)c1 ZINC000082081884 IJ Annotated Anodyne CNc1nc2cnc(Nc3ccc(C(C)C)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082081924 IJ Annotated Anodyne CNc1nc2cnc(Nc3ccc(C(C)C)cc3)cc2n1Cc1ccc(OC)c(OC)c1 ZINC000082082076 IJ Annotated Anodyne COCC/N=C(\O)c1cccc(-c2nc3c(Nc4ccc(C(C)C)cc4)nccc3[nH]2)c1 ZINC000082082190 IJ Annotated Mild COc1cc(-c2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)cc(OC)c1OC ZINC000082082295 IJ Annotated Anodyne CCCCOCCOC(=O)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000082082575 IJ Annotated Anodyne CCCCOCCOC(=O)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C ZINC000082082577 IJ Annotated Anodyne CN(C)CC/N=C(\O)c1cccc(-c2ccc3ncc(-c4ccc(F)c(Cl)c4)n3n2)c1 ZINC000082082673 IJ Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)c1 ZINC000082082687 IJ Annotated Anodyne FC(F)(F)Oc1cccc(-c2nnc3ccc(-c4ccc(N5CCOCC5)cc4)cn23)c1 ZINC000082082824 IJ Annotated Anodyne COc1ccc(CNc2nc3cnc(Nc4ccc(C(C)C)cc4)cc3n2C)cc1OC ZINC000082082994 IJ Annotated Anodyne C/C(O)=N\c1cccc(-c2ccc3ncc(-c4cccc(/C(O)=N/CCN(C)C)c4)n3n2)c1 ZINC000082083249 IJ Annotated Mild COc1ccc(/N=C(\O)[C@@H](C)N2Cc3ccc(-c4cccc(F)c4)nc3C2=O)cc1OC ZINC000082083832 IJ Annotated Mild CS(=O)(=O)c1ccc(Nc2cc3[nH]c(-c4cccc(C(F)(F)F)c4)cc3cn2)cc1 ZINC000082084057 IJ Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCCn2ccnc2)nc2cc(OC)c(OC)cc12 ZINC000082128247 IJ Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCCn2ccnc2)nc2cc(OC)c(OC)cc12 ZINC000082128248 IJ Annotated Anodyne CCCCNc1nc(NCCc2cccc(OC)c2OC)nc2cc(OC)c(OC)cc12 ZINC000082129208 IJ Annotated Anodyne COc1cc2nc(NCCc3ccc(F)cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000082129895 IJ Annotated Anodyne COc1cc2nc(NCCc3ccc(O)cc3)nc(NCc3ccc(C)cc3)c2cc1OC ZINC000082130224 IJ Annotated Anodyne COc1cc2nc(NCCCOC(C)C)nc(NCCc3ccc(F)cc3)c2cc1OC ZINC000082130533 IJ Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082134385 IJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082134388 IJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082134390 IJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082134393 IJ Annotated Bother CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134636 IJ Annotated Bother CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134641 IJ Annotated Bother CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134643 IJ Annotated Bother CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134645 IJ Annotated Bother CC1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134733 IJ Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082134957 IJ Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135106 IJ Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135108 IJ Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135110 IJ Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135111 IJ Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082135159 IJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082135172 IJ Annotated Bother CC(C)CN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135180 IJ Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082135253 IJ Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135311 IJ Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135312 IJ Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135313 IJ Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135314 IJ Annotated Bother CC1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082135343 IJ Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135360 IJ Annotated Bother CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](CC)CC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135412 IJ Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H](C)CC)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135413 IJ Annotated Bother CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](CC)CC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135414 IJ Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H](C)CC)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135415 IJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082135542 IJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082135543 IJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082135544 IJ Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135548 IJ Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135549 IJ Annotated Bother C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135550 IJ Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135899 IJ Annotated Bother CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135900 IJ Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135964 IJ Annotated Bother CCN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135979 IJ Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136041 IJ Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136064 IJ Annotated Bother CCN(C)c1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082136171 IJ Annotated Bother COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 ZINC000082136231 IJ Annotated Anodyne COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(F)cc2)n1 ZINC000082136330 IJ Annotated Anodyne CCN(C)c1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccc(F)cc2)n1 ZINC000082139368 IJ Annotated Anodyne COc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(F)cc3)n2)cc1 ZINC000082139453 IJ Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc(F)cc1 ZINC000082139546 IJ Annotated Mild CC1CCN(c2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(F)cc3)n2)CC1 ZINC000082140867 IJ Annotated Anodyne CCN(C)c1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccc(F)cc2)n1 ZINC000082141630 IJ Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccco2)n1 ZINC000082142786 IJ Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N2CCCCC2)c(-c2cccc(C)c2)n1 ZINC000082146596 IJ Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082147677 IJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082147680 IJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082147684 IJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082147685 IJ Annotated Bother CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148263 IJ Annotated Bother CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148265 IJ Annotated Bother CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148266 IJ Annotated Bother CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148270 IJ Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082148469 IJ Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082148475 IJ Annotated Bother CC(C)CN(C)c1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148478 IJ Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082148587 IJ Annotated Bother CC1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082148691 IJ Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148777 IJ Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148779 IJ Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148784 IJ Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148785 IJ Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082148841 IJ Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082148843 IJ Annotated Bother CC(C)(CNC(=O)c1ccc2ccccc2c1O)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000082149227 IJ Annotated Mild Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082149466 IJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082149469 IJ Annotated Bother Cc1ccc(CNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082149471 IJ Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149582 IJ Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149583 IJ Annotated Bother C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149585 IJ Annotated Bother CCN(C)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149848 IJ Annotated Bother CCN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149851 IJ Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149944 IJ Annotated Bother CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149947 IJ Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150306 IJ Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150312 IJ Annotated Bother COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000082150563 IJ Annotated Anodyne COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000082150564 IJ Annotated Anodyne COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000082150580 IJ Annotated Anodyne COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000082150582 IJ Annotated Anodyne O=C(NCc1ccccc1C(F)(F)F)c1cnc(N2CCCC2)nc1-c1ccccc1F ZINC000082150774 IJ Annotated Anodyne COc1c(C(=O)NCC(C)(C)CC2=C(O)C(=O)c3ccccc3C2=O)ccc2ccccc12 ZINC000082151659 IJ Annotated Mild CCOC(=O)Nc1cc(N[C@@H](C)CCCN(CC)CC)c2nc(CC)c(CC)nc2n1 ZINC000082151895 IJ Annotated Anodyne CCOC(=O)Nc1cc(N[C@H](C)CCCN(CC)CC)c2nc(CC)c(CC)nc2n1 ZINC000082151898 IJ Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082154653 IJ Annotated Mild C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCCCC3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082154655 IJ Annotated Mild Cc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(C#N)cc3)n2)cc1 ZINC000082154663 IJ Annotated Mild COc1cc(Cl)cc2cc(-c3cn(-c4cccc(C(=O)O)c4)c(=S)[nH]3)c(=O)oc12 ZINC000082154786 IJ Annotated Anodyne C=CCc1cc(OC)c2oc(=O)c(-c3cn(-c4cccc(C(=O)O)c4)c(=S)[nH]3)cc2c1 ZINC000082154788 IJ Annotated Mild N#Cc1cc(Cl)cc(Oc2c(Cl)c(Cl)cn(Cc3n[nH]c4ncccc34)c2=O)c1 ZINC000082156384 IJ Annotated Mild Nc1nn(-c2ccccc2)c(Nc2ccccc2)c1-c1nnc(NC(=O)c2ccccc2)o1 ZINC000082158249 IJ Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(C#N)cc1 ZINC000082158549 IJ Annotated Mild CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc(C#N)cc1 ZINC000082158887 IJ Annotated Mild CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc(C#N)cc1 ZINC000082158889 IJ Annotated Mild CCN(C)c1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082159341 IJ Annotated Mild C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(C#N)cc3)n2)C1 ZINC000082159447 IJ Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(C#N)cc3)n2)C1 ZINC000082159448 IJ Annotated Mild C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(C#N)cc3)n2)C1 ZINC000082159449 IJ Annotated Mild Cc1ccc(CNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(C#N)cc3)n2)o1 ZINC000082159457 IJ Annotated Mild Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc(C#N)cc3)n2)o1 ZINC000082159561 IJ Annotated Mild Cc1ccc(CNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc(C#N)cc3)n2)o1 ZINC000082159562 IJ Annotated Mild Cc1ccc(CNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(C#N)cc3)n2)o1 ZINC000082159563 IJ Annotated Mild CC(C)CN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(C#N)cc1 ZINC000082159782 IJ Annotated Mild COc1ccc(-c2cc(NCc3ccc(F)cc3C(F)(F)F)ncn2)c(OC)c1OC ZINC000082160378 IJ Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3ccccc3)s2)cc1 ZINC000082163052 IJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(C)o3)c(-c3ccccc3)n2)cc1OC ZINC000082163180 IJ Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(CC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163421 IJ Annotated Bother Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163593 IJ Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2nc3ccccc3s2)c1 ZINC000082163608 IJ Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NC[C@H]3CCCO3)ncc2-c2nc3ccccc3s2)c1 ZINC000082163609 IJ Annotated Bother Cc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163623 IJ Annotated Bother Cc1oc(-c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163629 IJ Annotated Bother CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163632 IJ Annotated Bother O=[N+]([O-])c1cccc(-c2nc(N3CCOCC3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082163636 IJ Annotated Bother COCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163891 IJ Annotated Bother COc1ccccc1CCNc1ncc(-c2ncc(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163902 IJ Annotated Bother COc1ccccc1CCNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163906 IJ Annotated Bother COc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163931 IJ Annotated Bother COc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163932 IJ Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164520 IJ Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc(F)cc3)n2)c1OC ZINC000082164700 IJ Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc(F)cc3)n2)c1 ZINC000082164723 IJ Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc(F)cc3)n2)cc(OC)c1 ZINC000082164750 IJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(C)o3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082164796 IJ Annotated Anodyne CCCCCc1nc(-c2cnc(NCCNC(C)=O)nc2-c2ccc(F)cc2)oc1C ZINC000082164993 IJ Annotated Anodyne CC(=O)NCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(F)cc2)n1 ZINC000082165006 IJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)cc1OC ZINC000082166037 IJ Annotated Anodyne COCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccco2)n1 ZINC000082166302 IJ Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C)o3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166588 IJ Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166763 IJ Annotated Anodyne CCc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166776 IJ Annotated Anodyne CCc1cnc(-c2cnc(NCC3CC3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166857 IJ Annotated Anodyne COc1cc(-c2nc(NCC3CC3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166861 IJ Annotated Anodyne CCc1cnc(-c2cnc(N3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167063 IJ Annotated Anodyne COc1cc(-c2nc(N3CCCCC3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167068 IJ Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082167117 IJ Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082167120 IJ Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082167122 IJ Annotated Anodyne COc1cc(-c2nc(N3CCC(C)CC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082167192 IJ Annotated Anodyne CC(=O)NCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc(C)c2)n1 ZINC000082173854 IJ Annotated Anodyne CC(=O)NCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc(C)c2)n1 ZINC000082173882 IJ Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(CC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174064 IJ Annotated Bother Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174424 IJ Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2nc3ccccc3s2)cc1 ZINC000082174455 IJ Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NC[C@H]3CCCO3)ncc2-c2nc3ccccc3s2)cc1 ZINC000082174457 IJ Annotated Bother Cc1oc(-c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174519 IJ Annotated Bother CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174523 IJ Annotated Bother COCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174850 IJ Annotated Bother Cc1oc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000082175797 IJ Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3F)n2)c1 ZINC000082175847 IJ Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccccc3F)n2)cc(OC)c1 ZINC000082175866 IJ Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(C)o3)c(-c3ccccc3F)n2)cc1OC ZINC000082175911 IJ Annotated Anodyne CCCCCc1nc(-c2cnc(NCCNC(C)=O)nc2-c2ccccc2F)oc1C ZINC000082176081 IJ Annotated Anodyne CC(=O)NCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2F)n1 ZINC000082176093 IJ Annotated Anodyne CC(=O)NCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176935 IJ Annotated Anodyne CC(=O)NCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccccc2C)n1 ZINC000082177670 IJ Annotated Anodyne CC(=O)NCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccccc2C)n1 ZINC000082177683 IJ Annotated Anodyne c1ccc(CCc2nc3c(NCc4cccs4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082177785 IJ Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCN1CCCCC1 ZINC000082177904 IJ Annotated Clean CC(C)CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCc1ccccn1 ZINC000082177909 IJ Annotated Clean CC(C)CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CC[C@@H]1CCCN1C ZINC000082177913 IJ Annotated Clean CC(C)CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CC[C@H]1CCCN1C ZINC000082177914 IJ Annotated Clean CC(C)CNc1ncnc2c1nc(-c1ccsc1)n2CCCCOC(=O)C(F)(F)F ZINC000082177976 IJ Annotated Anodyne CC(C)CNc1ncnc2c1nc(C1CCCCC1)n2CCCCOC(=O)C(F)(F)F ZINC000082177998 IJ Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1cccs1)n2CCCCOC(=O)C(F)(F)F ZINC000082178050 IJ Annotated Anodyne CCC(CC)c1nc2c(NCC(C)C)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082178170 IJ Annotated Anodyne c1ccc(CCc2nc3c(NCc4cccs4)ncnc3n2CCc2ccccn2)cc1 ZINC000082178225 IJ Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082178232 IJ Annotated Anodyne COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178300 IJ Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178345 IJ Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178347 IJ Annotated Anodyne CC(C)Cc1nc2c(NCc3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082178570 IJ Annotated Anodyne c1ccc(CCc2nc3c(NCc4ccccc4)ncnc3n2CCc2ccccn2)cc1 ZINC000082178581 IJ Annotated Anodyne COCCn1c(-c2ccsc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178890 IJ Annotated Anodyne CCCc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CC[C@@H]1CCCN1C ZINC000082179021 IJ Annotated Anodyne CCCc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CC[C@H]1CCCN1C ZINC000082179022 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082179048 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082179049 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3CC[C@@H]2CCCN2C)cc1 ZINC000082179075 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3CC[C@H]2CCCN2C)cc1 ZINC000082179076 IJ Annotated Anodyne CC(C)c1nc2c(NCc3cccs3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179115 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccc(O)c2)n3CCN2CCCCC2)cc1 ZINC000082179116 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccc(O)c2)n3CCc2ccccn2)cc1 ZINC000082179120 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccc(O)c2)n3CC[C@@H]2CCCN2C)cc1 ZINC000082179123 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccc(O)c2)n3CC[C@H]2CCCN2C)cc1 ZINC000082179124 IJ Annotated Anodyne COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000082179180 IJ Annotated Clean Cc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCN2CCCCC2)cc1 ZINC000082179220 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3CC[C@@H]2CCCN2C)cc1 ZINC000082179227 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3CC[C@H]2CCCN2C)cc1 ZINC000082179228 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C2CCCCC2)n3CCCN2CCCC2=O)cc1 ZINC000082179245 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(C)o2)n3CCN2CCCCC2)cc1 ZINC000082179259 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(C)o2)n3CC[C@@H]2CCCN2C)cc1 ZINC000082179267 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(C)o2)n3CC[C@H]2CCCN2C)cc1 ZINC000082179268 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CCN2CCCCC2)cc1 ZINC000082179274 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CC[C@@H]2CCCN2C)cc1 ZINC000082179281 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CC[C@H]2CCCN2C)cc1 ZINC000082179282 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C(C)C)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179360 IJ Annotated Anodyne CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082179374 IJ Annotated Anodyne CCC(CC)c1nc2c(NCc3ccc(C)cc3)ncnc2n1CCCN1CCCC1=O ZINC000082179387 IJ Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C2CC2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179402 IJ Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccccc2)n3CCN2CCCCC2)c1 ZINC000082179419 IJ Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccccc2)n3CCc2ccccn2)c1 ZINC000082179423 IJ Annotated Anodyne COCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179489 IJ Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccoc2)n3CCc2ccccn2)c1 ZINC000082179555 IJ Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccsc2)n3CCc2ccccn2)c1 ZINC000082179569 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCN2CCCCC2)o1 ZINC000082179605 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCc2ccccn2)o1 ZINC000082179609 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CC[C@@H]2CCCN2C)o1 ZINC000082179612 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CC[C@H]2CCCN2C)o1 ZINC000082179613 IJ Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2cccs2)n3CCc2ccccn2)c1 ZINC000082179627 IJ Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCN1CCCCC1 ZINC000082179742 IJ Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCc1ccccn1 ZINC000082179746 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179749 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(CC(C)(C)C)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179750 IJ Annotated Anodyne c1ccc(CCCNc2ncnc3c2nc(-c2cccnc2)n3CCc2ccccn2)cc1 ZINC000082179878 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccoc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179900 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179901 IJ Annotated Anodyne COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082180004 IJ Annotated Anodyne COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082180005 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082180091 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(CC(C)(C)C)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082180092 IJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccccc1)n2CCN1CCCCC1 ZINC000082180098 IJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccccc1)n2CC[C@@H]1CCCN1C ZINC000082180105 IJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccccc1)n2CC[C@H]1CCCN1C ZINC000082180106 IJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCN1CCCCC1 ZINC000082180139 IJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCc1ccccn1 ZINC000082180143 IJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(O)c1)n2CC[C@@H]1CCCN1C ZINC000082180146 IJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(O)c1)n2CC[C@H]1CCCN1C ZINC000082180147 IJ Annotated Anodyne COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180204 IJ Annotated Clean Cc1ccccc1CNc1ncnc2c1nc(-c1ccsc1)n2CCN1CCCCC1 ZINC000082180257 IJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccsc1)n2CC[C@@H]1CCCN1C ZINC000082180264 IJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccsc1)n2CC[C@H]1CCCN1C ZINC000082180265 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCN2CCCCC2)o1 ZINC000082180301 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CC[C@@H]2CCCN2C)o1 ZINC000082180312 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CC[C@H]2CCCN2C)o1 ZINC000082180314 IJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C(C)C)n2CCCCOC(=O)C(F)(F)F ZINC000082180465 IJ Annotated Anodyne CCCc1nc2c(NCc3ccccc3C)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082180490 IJ Annotated Anodyne CCC(CC)c1nc2c(NCc3ccccc3C)ncnc2n1CCCN1CCCC1=O ZINC000082180511 IJ Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C1CC1)n2CCCCOC(=O)C(F)(F)F ZINC000082180542 IJ Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1ccccc1)n2CCc1ccccn1 ZINC000082180560 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180566 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180569 IJ Annotated Anodyne COCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180650 IJ Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1ccoc1)n2CCc1ccccn1 ZINC000082180747 IJ Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1ccsc1)n2CCc1ccccn1 ZINC000082180770 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCN2CCCCC2)o1 ZINC000082180822 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCc2ccccn2)o1 ZINC000082180830 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CC[C@@H]2CCCN2C)o1 ZINC000082180834 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CC[C@H]2CCCN2C)o1 ZINC000082180835 IJ Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1cccs1)n2CCc1ccccn1 ZINC000082180857 IJ Annotated Anodyne COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180915 IJ Annotated Anodyne COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180916 IJ Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3ccccc3F)ncnc2n1CCN1CCCCC1 ZINC000082181038 IJ Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3ccccc3F)ncnc2n1CCc1ccccn1 ZINC000082181042 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082181045 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(CC(C)(C)C)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082181046 IJ Annotated Anodyne Oc1cccc(-c2nc3c(NCc4cccc(F)c4)ncnc3n2CCc2ccccn2)c1 ZINC000082181468 IJ Annotated Anodyne Fc1cccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCc2ccccn2)c1 ZINC000082181582 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCc3cccc(F)c3)ncnc21 ZINC000082181588 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NCc3cccc(F)c3)ncnc21 ZINC000082181592 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCc3cccc(F)c3)ncnc21 ZINC000082184504 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCc3cccc(F)c3)ncnc21 ZINC000082184506 IJ Annotated Anodyne O=C(OCCCCn1c(C2CCCCC2)nc2c(NCC3CC3)ncnc21)C(F)(F)F ZINC000082184668 IJ Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3CCc2ccccn2)cc1 ZINC000082184897 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccoc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184903 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccoc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184905 IJ Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(-c2cccnc2)n3CCN2CCCCC2)cc1 ZINC000082184956 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccnc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184964 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccnc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184966 IJ Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3C[C@@H]2CCCO2)cc1 ZINC000082184982 IJ Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3C[C@H]2CCCO2)cc1 ZINC000082184984 IJ Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3C[C@@H]2CCCO2)cc1 ZINC000082185088 IJ Annotated Anodyne CC(C)Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCN1CCCCC1 ZINC000082185094 IJ Annotated Anodyne CC(C)Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CC[C@@H]1CCCN1C ZINC000082185105 IJ Annotated Anodyne CC(C)Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CC[C@H]1CCCN1C ZINC000082185107 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccccc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185360 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccccc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185363 IJ Annotated Anodyne Oc1cccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCc2ccccn2)c1 ZINC000082185475 IJ Annotated Anodyne Fc1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3CCN2CCCCC2)cc1 ZINC000082185654 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185671 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185674 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCN2CCCCC2)o1 ZINC000082185741 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CC[C@@H]2CCCN2C)o1 ZINC000082185757 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CC[C@H]2CCCN2C)o1 ZINC000082185759 IJ Annotated Anodyne Fc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3CCN2CCCCC2)cc1 ZINC000082185771 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185791 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185792 IJ Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCCN1CCCC1=O ZINC000082186269 IJ Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccoc1)n2CCCCOC(=O)C(F)(F)F ZINC000082186322 IJ Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(C(=O)OC)cc1)n2CCc1ccccn1 ZINC000082186337 IJ Annotated Anodyne CCCCCNc1ncnc2c1nc(CC(C)C)n2CCCCOC(=O)C(F)(F)F ZINC000082186649 IJ Annotated Anodyne CCCCCNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCCN1CCCC1=O ZINC000082186803 IJ Annotated Anodyne CCCCCNc1ncnc2c1nc(CC(C)(C)C)n2CCCCOC(=O)C(F)(F)F ZINC000082186972 IJ Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(-c2ccccc2)n3CCc2ccccn2)cc1 ZINC000082186985 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082186993 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082186995 IJ Annotated Anodyne COCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187102 IJ Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(-c2ccoc2)n3CCc2ccccn2)cc1 ZINC000082187137 IJ Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(-c2ccsc2)n3CCc2ccccn2)cc1 ZINC000082187262 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCN2CCCCC2)o1 ZINC000082187329 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCc2ccccn2)o1 ZINC000082187339 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CC[C@@H]2CCCN2C)o1 ZINC000082187349 IJ Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CC[C@H]2CCCN2C)o1 ZINC000082187352 IJ Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(-c2cccs2)n3CCc2ccccn2)cc1 ZINC000082187380 IJ Annotated Anodyne COCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187470 IJ Annotated Anodyne COCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187471 IJ Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1 ZINC000082187636 IJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccnc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188090 IJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccnc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188092 IJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccnc1)n2CCc1ccccn1)c1ccccc1 ZINC000082188113 IJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccnc1)n2CCc1ccccn1)c1ccccc1 ZINC000082188115 IJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccnc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188125 IJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccnc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188128 IJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccnc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188132 IJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccnc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188133 IJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccoc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188156 IJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccoc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188158 IJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccoc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188187 IJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccoc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188188 IJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccoc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188190 IJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccoc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188192 IJ Annotated Anodyne Oc1cccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCc2ccccn2)c1 ZINC000082188211 IJ Annotated Anodyne CCC(CC)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1CCCN1CCCC1=O ZINC000082188832 IJ Annotated Anodyne CCC(CC)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCCN1CCCC1=O ZINC000082188836 IJ Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(CC(C)(C)C)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188971 IJ Annotated Anodyne C[C@H](CNc1ncnc2c1nc(CC(C)(C)C)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188975 IJ Annotated Anodyne COCCn1c(-c2ccoc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189114 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccc(O)c2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082189141 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccc(O)c2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082189145 IJ Annotated Anodyne CCCc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@@H]1CCCO1 ZINC000082189396 IJ Annotated Anodyne CCCc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1C[C@H]1CCCO1 ZINC000082189397 IJ Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(C2CC2)n3C[C@@H]2CCCO2)c(Cl)c1 ZINC000082189462 IJ Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(C2CC2)n3C[C@H]2CCCO2)c(Cl)c1 ZINC000082189463 IJ Annotated Anodyne COCCn1c(-c2ccoc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189678 IJ Annotated Anodyne CCCc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@@H]1CCCO1 ZINC000082189870 IJ Annotated Anodyne CCCc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1C[C@H]1CCCO1 ZINC000082189873 IJ Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(C1CC1)n2C[C@@H]1CCCO1 ZINC000082189927 IJ Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(C1CC1)n2C[C@H]1CCCO1 ZINC000082189929 IJ Annotated Anodyne O=C1CCCN1CCCn1c(C2CCCCC2)nc2c(NCc3cccs3)ncnc21 ZINC000082190379 IJ Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccsc2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082190699 IJ Annotated Anodyne COc1ccccc1-c1csc(N[C@@H](CCSC)C(=O)NCc2ccccc2)n1 ZINC000082192332 IJ Annotated Anodyne CCCCc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)cc1 ZINC000082192780 IJ Annotated Anodyne CCCCc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)cc1 ZINC000082192785 IJ Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(CC(C)C)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082192799 IJ Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(CC(C)C)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082192806 IJ Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082193112 IJ Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082193117 IJ Annotated Anodyne CCCCc1ccc(-c2csc(N[C@H](CCSC)C(=O)NC[C@@H]3CCCO3)n2)cc1 ZINC000082194493 IJ Annotated Anodyne CCCCc1ccc(-c2csc(N[C@H](CCSC)C(=O)NC[C@H]3CCCO3)n2)cc1 ZINC000082194498 IJ Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(CC(C)C)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194505 IJ Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(CC(C)C)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194508 IJ Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000082195070 IJ Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000082195071 IJ Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000082195074 IJ Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000082195076 IJ Annotated Anodyne COc1ccccc1-c1csc(N[C@@H](CCSC)C(=O)NCc2ccc(F)cc2)n1 ZINC000082195346 IJ Annotated Anodyne CSCC[C@H](Nc1nc(-c2cc3ccccc3o2)cs1)C(=O)NCC(F)(F)F ZINC000082195497 IJ Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(F)cc2F)cs1)C(=O)NCCCOC(C)C ZINC000082195628 IJ Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NCCCOC(C)C ZINC000082195630 IJ Annotated Bother CCCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NCCCOC(C)C ZINC000082195631 IJ Annotated Bother O=C(NCCc1ccccc1F)[C@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 ZINC000082195676 IJ Annotated Anodyne CC(C)OCCCNC(=O)[C@H]1CCCN1c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000082195687 IJ Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000082195866 IJ Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000082195867 IJ Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000082195868 IJ Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000082195869 IJ Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NCC(F)(F)F ZINC000082195941 IJ Annotated Anodyne CCOc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCc3ccccc3F)n2)cc1 ZINC000082195953 IJ Annotated Anodyne CN1CCC[C@H]1CCn1c(CC(C)(C)C)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082197030 IJ Annotated Anodyne CN1CCC[C@@H]1CCn1c(CC(C)(C)C)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082197032 IJ Annotated Anodyne Oc1cccc(-c2nc3c(NCc4cccs4)ncnc3n2CCc2ccccn2)c1 ZINC000082197489 IJ Annotated Anodyne CCCC[C@@H](CC)CNC(=O)CNc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082197853 IJ Annotated Anodyne CCCC[C@H](CC)CNC(=O)CNc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082197854 IJ Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccco2)C1 ZINC000082198846 IJ Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccco2)C1 ZINC000082198847 IJ Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccco2)C1 ZINC000082198848 IJ Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccco2)C1 ZINC000082198849 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082199163 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082199164 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082199165 IJ Annotated Anodyne CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205526 IJ Annotated Anodyne CC(C)n1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205595 IJ Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205814 IJ Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205818 IJ Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206345 IJ Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206346 IJ Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](C(C)C)N2 ZINC000082206364 IJ Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](C(C)C)N2 ZINC000082206367 IJ Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206371 IJ Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206372 IJ Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1CC1CCCCC1)[C@H](c1ccccc1)CN2 ZINC000082209471 IJ Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1CC1CCCCC1)[C@@H](c1ccccc1)CN2 ZINC000082209475 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082210852 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082210856 IJ Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082210858 IJ Annotated Anodyne O=C(NCc1ccccc1C(F)(F)F)c1cnc(N2CCCCC2)nc1-c1ccco1 ZINC000082216456 IJ Annotated Anodyne CC1CCN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccco3)n2)CC1 ZINC000082216466 IJ Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(N2CCCCC2)nc1-c1ccco1 ZINC000082216493 IJ Annotated Anodyne COCCCNC(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000082216717 IJ Annotated Anodyne COCCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000082216719 IJ Annotated Anodyne COCCCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 ZINC000082216735 IJ Annotated Anodyne COCCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 ZINC000082216737 IJ Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000082216894 IJ Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082216899 IJ Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082216901 IJ Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082216904 IJ Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082216907 IJ Annotated Bother CC1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082216949 IJ Annotated Bother COc1cc(-c2nc(N3CCCC3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082219796 IJ Annotated Anodyne COCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082221450 IJ Annotated Bother CCCCCc1nc(-c2cnc(NCCOC)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082221457 IJ Annotated Bother O=[N+]([O-])c1ccc(-c2nc(N3CCOCC3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082221464 IJ Annotated Bother COc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082221488 IJ Annotated Bother COc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082221490 IJ Annotated Bother Clc1ccc(CNc2ncnc3c2nc(-c2cccs2)n3C[C@H]2CCCO2)cc1 ZINC000082221904 IJ Annotated Anodyne CCCCCNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCCN1CCCC1=O ZINC000082222748 IJ Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCc1ccccn1 ZINC000082222763 IJ Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NC1CCCCC1 ZINC000082222831 IJ Annotated Bother CCCCCc1nc(-c2cnc(NCCOC)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082225294 IJ Annotated Bother COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccc(Cl)cc1 ZINC000082230928 IJ 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(Cl)cc1 ZINC000082230929 IJ 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(Cl)cc1 ZINC000082230930 IJ 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(Cl)cc1 ZINC000082230931 IJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1cccs1 ZINC000082230982 IJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1cccs1 ZINC000082230983 IJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1cccs1 ZINC000082230984 IJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1cccs1 ZINC000082230985 IJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccccc1F ZINC000082231042 IJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccccc1F ZINC000082231043 IJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccccc1F ZINC000082231044 IJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccccc1F ZINC000082231045 IJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(F)cc1 ZINC000082231058 IJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@H]2c1ccc(F)cc1 ZINC000082231059 IJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(F)cc1 ZINC000082231060 IJ Annotated Mild COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)N=C(C)/C(=C(/O)OC1CCCC1)[C@@H]2c1ccc(F)cc1 ZINC000082231061 IJ Annotated Mild COC(=O)[C@H](CCC(=O)OC(C)(C)C)NC/C=C/c1cccc(Oc2ccccc2)c1 ZINC000084462506 IJ Annotated Anodyne O=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2 ZINC000084586616 IJ Annotated Anodyne CN(C(=O)Nc1cnc(-c2ccccc2)cn1)C1CCC2(CC1)Cc1ccccc1C(=O)O2 ZINC000084596293 IJ Annotated Anodyne CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3C)cc2)cc1 ZINC000084597136 IJ Annotated Clean CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C(=O)N(C)C)cc1C ZINC000084603146 IJ Annotated Clean CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3C)cc2)c(C)c1 ZINC000084603497 IJ Annotated Clean CNC(=O)c1ccc(-c2ccc3c(c2)C(C)(C)C(=O)N3c2ccc(C#N)c(OC)c2)cc1F ZINC000084603954 IJ Annotated Mild CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2cc(-n3ccnc3C)cs2)cc1 ZINC000084604891 IJ Annotated Clean CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)c(C)c1 ZINC000084614477 IJ Annotated Clean C=C(C)c1ncccc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 ZINC000084614568 IJ Annotated Mild O=C(O)c1c(-c2ccc[nH]c2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccccc1F ZINC000084615685 IJ Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNC(=O)c3ccnc4ccccc34)C[C@@H]1O2 ZINC000084617573 IJ Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNC(=O)c3ccnc4ccccc34)C[C@@H]1O2 ZINC000084617574 IJ Annotated Anodyne O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1c[nH]c2ccccc12 ZINC000084617704 IJ Annotated Reactive O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1c[nH]c2ccccc12 ZINC000084617707 IJ Annotated Reactive CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@]23Cc4ccc(O)cc4[C@]2(CCN(CC2CC2)C3)C1 ZINC000084617968 IJ Annotated Anodyne CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@]23Cc4ccc(O)cc4[C@]2(CCN(CC2CC2)C3)C1 ZINC000084617982 IJ Annotated Anodyne CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]23Cc4ccc(O)cc4[C@@]2(CCN(CC2CC2)C3)C1 ZINC000084617986 IJ Annotated Anodyne COc1ccc(-c2c(C#N)c(=N)n3c(nc(O)c4c(-c5ccccc5)csc43)c2C#N)cc1 ZINC000084619330 IJ Annotated Mild N#Cc1c(-c2cccs2)c(C#N)c2nc(O)c3c(-c4ccccc4)csc3n2c1=N ZINC000084619332 IJ Annotated Mild C[C@@H]1CC[C@@H](C)N1CCCNc1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)o1 ZINC000084632807 IJ Annotated Anodyne Cc1ccc2nc(N(C)C)nc(NCc3ccc(C(=O)Nc4ccc(Cl)nc4)cc3)c2c1 ZINC000084634078 IJ Annotated Anodyne COc1cc(Br)c(Cc2cc(OC)c(OC)cc2Br)cc1OC ZINC000084634490 IJ Annotated Anodyne O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000084634636 IJ Annotated Anodyne CCOC(=O)CNC(=S)Oc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 ZINC000084634910 IJ Annotated Anodyne CCOc1cccc2sc(-n3c(CC)nc4ccc(Br)cc4c3=O)nc12 ZINC000084652354 IJ Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)N3CCN(C)CC3)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O ZINC000084652653 IJ Annotated Mild CCN(CC)C(=O)c1cc(Cl)cc(C)c1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000084652799 IJ Annotated Anodyne CCN(CC)C(=O)c1cc(Cl)cc(C)c1NC(=O)[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000084652800 IJ Annotated Anodyne C=C(c1ccc(C)cc1)[C@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084652847 IJ Annotated Reactive C=C(c1ccc(C)cc1)[C@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084652848 IJ Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084652849 IJ Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084652850 IJ Annotated Reactive COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)c3ccccc3)cc2C1 ZINC000084653540 IJ Annotated Anodyne O=C(O)C1=CNC=C(C(=O)OC/C=C/c2ccccc2)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000084653621 IJ Annotated Anodyne O=C(O)C1=CNC=C(C(=O)OC/C=C/c2ccccc2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000084653622 IJ Annotated Anodyne O=C(O)C1=CNC=C(C(=O)OC/C=C/c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000084654936 IJ Annotated Anodyne O=C(O)C1=CNC=C(C(=O)OC/C=C/c2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000084654939 IJ Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C(=O)O)cc2)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 ZINC000084655363 IJ Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C(=O)O)cc2)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 ZINC000084655364 IJ Annotated Anodyne CCN(CC)[C@@H]1[C@@H](CO)[C@H]2CN(Cc3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]21 ZINC000084668928 IJ Annotated Anodyne COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1C1CCC(C)(C)CC1 ZINC000084670587 IJ Annotated Anodyne COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1C1=CCC(C)(C)CC1 ZINC000084670588 IJ Annotated Anodyne O=C(O)[C@@H]1CSc2c(C3CC3)c(COc3cccc(Oc4ccccc4)c3)cc(=O)n21 ZINC000084670820 IJ Annotated Anodyne COc1cc(COC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc(OC)c1OC ZINC000084670846 IJ Annotated Bother CN1C[C@H](c2ccc(Cl)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084670867 IJ Annotated Clean CN1C[C@@H](c2ccc(Cl)cc2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084670868 IJ Annotated Clean CCN(CC)[C@@H]1[C@@H]2[C@@H](CN(Cc3ccccc3)[C@H]2c2ccc(Br)cc2)[C@H]1CO ZINC000084671461 IJ Annotated Anodyne CCN(CC)CCCOc1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 ZINC000084671965 IJ Annotated Clean CC/C(=N/O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1 ZINC000084672529 IJ Annotated Mild CCC1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1cc(OC)ccc1OC)N[C@@H]2c1cc(OC)ccc1OC ZINC000084688087 IJ Annotated Anodyne Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@@H](C)N3CC[C@H](O)C3)cnc12 ZINC000084688166 IJ Annotated Anodyne Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc([C@H](C)N3CC[C@H](O)C3)cnc12 ZINC000084688167 IJ Annotated Anodyne CCC1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1ccc(OC)c(OC)c1)N[C@@H]2c1ccc(OC)c(OC)c1 ZINC000084688393 IJ Annotated Anodyne CCCCC[C@H](OCCCC)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000084688529 IJ Annotated Clean CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2ccc(Cl)cc2c1=O ZINC000084689492 IJ Annotated Anodyne CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2cc(Cl)ccc2c1=O ZINC000084689493 IJ Annotated Anodyne Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NCCCN(C)C)cc3)sc2c1 ZINC000084689694 IJ Annotated Anodyne CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(cc(OC)c(Cl)c1O)C2=O ZINC000084689975 IJ Annotated Clean CC(=O)NCCc1cn(C2=C(C)C(=O)C(O)=C([C@H](C)CCC=C(C)C)C2=O)c2ccccc12 ZINC000084690133 IJ Annotated Mild CCOC(=O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1 ZINC000084690716 IJ Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CCCCCNc2ccc3c(c2)CCS3(=O)=O)CC1 ZINC000084690792 IJ Annotated Anodyne O=[N+]([O-])c1ccc(/C(O)=N/C(=N/O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 ZINC000084703588 IJ Annotated Mild CCc1ccc(S(=O)(=O)Nc2cc(CN3CCN(CCC(C)C)CC3)ccc2C)cc1 ZINC000084703902 IJ Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(Cl)cc1)cn2C[C@H](O)CC(F)(F)F ZINC000084705208 IJ Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)c(Cc1ccc(Cl)cc1)cn2C[C@@H](O)CC(F)(F)F ZINC000084705211 IJ Annotated Anodyne Cc1cccc(CCc2cc(=O)n3c(c2-c2c[nH]c4ccccc24)SC[C@H]3C(=O)O)c1 ZINC000084708947 IJ Annotated Anodyne CCCNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000084709908 IJ Annotated Anodyne CCCNC(=O)c1cc(Cl)cc(C)c1NC(=O)[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000084709910 IJ Annotated Anodyne C/C(=N\Nc1nc(-c2ccc(I)cc2)cs1)c1cccs1 ZINC000084710250 IJ Annotated Mild O=[S@@]1O[C@H](c2ccc(Cl)cc2)[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000084710663 IJ Annotated Mild O=[S@]1O[C@H](c2ccc(Cl)cc2)[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000084710665 IJ Annotated Mild O=[S@]1O[C@H](c2ccc(Cl)cc2Cl)[C@](Cn2cncn2)(c2ccc(Cl)cc2)O1 ZINC000084710670 IJ Annotated Mild O=[S@@]1O[C@H](c2ccc(Cl)cc2Cl)[C@](Cn2cncn2)(c2ccc(Cl)cc2)O1 ZINC000084710672 IJ Annotated Mild COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(=O)OCC(C)C)cc2C1 ZINC000084710745 IJ Annotated Anodyne O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1ncccc1O)CC2 ZINC000084711529 IJ Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cccs3)c(Cc3cccc4ccccc34)c(CO)c(=O)n21 ZINC000084713569 IJ Annotated Anodyne CC(C)[C@H](NC(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000084713803 IJ Annotated Bother CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000084713806 IJ Annotated Bother Clc1ccc2c(c1)nc(Cn1nc3ccccc3n1)n2C[C@H]1CCCN2CCCC[C@H]12 ZINC000084725867 IJ Annotated Anodyne Clc1ccc2c(c1)nc(Cn1nc3ccccc3n1)n2C[C@H]1CCCN2CCCC[C@@H]12 ZINC000084725871 IJ Annotated Anodyne O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(-c2cccc(C(=O)N3CCCNCC3)c2)o1 ZINC000084727597 IJ Annotated Anodyne c1ccc2c(c1)nc(NCCCNCCNc1nc3ccccc3n3cccc13)c1cccn12 ZINC000084728040 IJ Annotated Anodyne Cc1cc(Cl)cc(C(=O)NC(C)C)c1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000084729057 IJ Annotated Anodyne Cc1cc(Cl)cc(C(=O)NC(C)C)c1NC(=O)[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000084729061 IJ Annotated Anodyne Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCN(C(=O)C(C)(C)N)C3(C)C)cc1 ZINC000084729715 IJ Annotated Anodyne CCCCCCCCS(=O)(=O)Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12 ZINC000084731063 IJ Annotated Mild CCOc1ccc(-c2cc(COc3ccc(/C=C/S(=O)(=O)OCC)cc3)no2)cc1 ZINC000084731117 IJ Annotated Mild CCOS(=O)(=O)/C=C/c1ccc(OCCNc2nc(-c3ccccc3)cs2)cc1 ZINC000084731120 IJ Annotated Mild Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3cnccc32)c(C)c1 ZINC000084732744 IJ Annotated Bother CN(C)[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1nnnn1C(C)(C)C ZINC000084733114 IJ Annotated Anodyne CN(C)[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1nnnn1C(C)(C)C ZINC000084733117 IJ Annotated Anodyne Cc1cc(C)c(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3cccnc32)c(C)c1 ZINC000084739214 IJ Annotated Bother COc1cc(C(=O)/C=C\Nc2ccc3[nH]ccc3c2)c(Br)c(OC)c1OC ZINC000084739252 IJ Annotated Mild CS(=O)(=O)c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 ZINC000084739712 IJ Annotated Anodyne COc1cc(OC)c([C@H]2O[C@H](C)[C@@H](c3cc(OC)c(OC)cc3OC)[C@H]2C)cc1OC ZINC000084739900 IJ Annotated Anodyne O=C(NCCOC(=O)c1cc(F)cc(C(F)(F)F)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000084741694 IJ Annotated Mild CCCOC(=O)c1[nH]c(Br)c(-c2ccc(OC)c(OC)c2)c1Br ZINC000084757286 IJ Annotated Anodyne COc1ccc2c(OCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)cn34)ccnc2c1 ZINC000084759584 IJ Annotated Anodyne O=C(O)c1cccc(C(=O)O)c1-c1c2cc(Cl)c(=O)cc-2oc2cc(O)c(Cl)cc12 ZINC000084849192 IJ Annotated Bother CCCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCCC2)cc1OC ZINC000008583335 IJ Annotated Anodyne CCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCCC2)cc1OC ZINC000008583336 IJ Annotated Anodyne CCN(CC)c1ccc(NC(=O)CN2C(=O)c3cccnc3Oc3ccccc32)c(C)c1 ZINC000008590293 IJ Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1 ZINC000008591275 IJ Annotated Anodyne COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)cc3C)c2c1 ZINC000008595011 IJ Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)c3cc(C)nc4c3c(C)nn4-c3ccccc3)CC2)c1 ZINC000008598049 IJ Annotated Anodyne Cc1cccc(CN2CC=C(c3noc(CCC(=O)Nc4ccc(C)c(F)c4)n3)CC2)c1 ZINC000008599104 IJ Annotated Anodyne CCN(CCCNC(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1)Cc1ccccc1 ZINC000008599364 IJ Annotated Anodyne CCOc1ccc(OCC)c(Nc2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)c1 ZINC000008600007 IJ Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4cc(C)ccc4C)c32)cc1 ZINC000008604345 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4cc(Cl)ccc4C)c32)cc1 ZINC000008604470 IJ Annotated Anodyne Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)c32)cc1 ZINC000008604551 IJ Annotated Anodyne Cc1c(Cl)cccc1NC(=O)[C@H](C)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21 ZINC000008604995 IJ Annotated Anodyne Cc1c(Cl)cccc1NC(=O)[C@@H](C)n1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21 ZINC000008604998 IJ Annotated Anodyne Cc1cc(C)c(NC(=O)[C@@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c(C)c1 ZINC000008605009 IJ Annotated Anodyne Cc1cc(C)c(NC(=O)[C@H](C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c(C)c1 ZINC000008605011 IJ Annotated Anodyne Cc1c(Cl)cccc1NC(=O)[C@@H](C)n1c(=O)cc(-c2ccccc2)c2c(C)nn(C)c21 ZINC000008605135 IJ Annotated Anodyne Cc1c(Cl)cccc1NC(=O)[C@H](C)n1c(=O)cc(-c2ccccc2)c2c(C)nn(C)c21 ZINC000008605136 IJ Annotated Anodyne Cc1cc(C)c(NC(=O)[C@@H](C)n2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)c(C)c1 ZINC000008605141 IJ Annotated Anodyne Cc1cc(C)c(NC(=O)[C@H](C)n2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)c(C)c1 ZINC000008605144 IJ Annotated Anodyne Cc1cc(=O)n(Cc2ccc(Br)cc2F)c2c1c(C)nn2-c1ccccc1 ZINC000008605790 IJ Annotated Anodyne CCOc1cc2c(cc1OCC)[C@H](CC(=O)OC)N(C(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000008609216 IJ Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H](CC(=O)OC)N(C(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000008609217 IJ Annotated Anodyne Cc1ccc(C)c(NC(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)c1 ZINC000008611480 IJ Annotated Anodyne O=C(CN1C(=O)C(c2ccc(F)cc2)=NC12CCCCCC2)Nc1ccccc1Cl ZINC000008614244 IJ Annotated Anodyne COc1cc2c(cc1OC)[C@@H](/C(O)=N/Cc1cccs1)[C@H]1c3ccccc3CCN1C2=O ZINC000008661696 IJ Annotated Mild COc1cc2c(cc1OC)[C@@H](/C(O)=N/Cc1cccs1)[C@@H]1c3ccccc3CCN1C2=O ZINC000008661697 IJ Annotated Mild COc1cc2c(cc1OC)[C@H](/C(O)=N/Cc1cccs1)[C@H]1c3ccccc3CCN1C2=O ZINC000008661698 IJ Annotated Mild COc1cc2c(cc1OC)[C@H](/C(O)=N/Cc1cccs1)[C@@H]1c3ccccc3CCN1C2=O ZINC000008661699 IJ Annotated Mild Cc1ccc(Nc2cnn(C34C[C@H]5C[C@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1 ZINC000008671620 IJ Annotated Anodyne COc1ccc(CN2C(=O)c3ccccc3[C@H](/C=N\OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000008672026 IJ Annotated Mild COc1ccc(CN2C(=O)c3ccccc3[C@@H](/C=N\OCc3ccc(Cl)cc3)C2=O)cc1 ZINC000008672028 IJ Annotated Mild CCc1ccc2nc(O)c(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1 ZINC000008674169 IJ Annotated Anodyne Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCc3ccco3)cc12 ZINC000008686583 IJ Annotated Anodyne Cc1cc(C)c2cc(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)c(O)nc2c1 ZINC000008763172 IJ Annotated Anodyne aggregator CN(Cc1ccccc1)C(=O)c1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)c1 ZINC000008801944 IJ Annotated Anodyne CN(Cc1ccccc1)C(=O)c1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)c1 ZINC000008801945 IJ Annotated Anodyne CCCCCCCC1=Cc2ccc(F)cc2[C@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC ZINC000008860404 IJ Annotated Mild CCCCCCCC1=Cc2ccc(F)cc2[C@@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC ZINC000008860405 IJ Annotated Mild CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1 ZINC000008912814 IJ Annotated Anodyne CN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1 ZINC000008912815 IJ Annotated Anodyne CCCCCCCC[C@H](CCC/C(=C/C(=O)O)CN=C(N)N)Cc1cccc(C#N)c1 ZINC000085510422 IJ Annotated Mild in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCCC(C)C)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532580 IJ Annotated Anodyne in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@]13C=CO[C@]2(CCC1=CC(=O)OC1)[C@@]1(C)C#CCCC(=O)O[C@@H]3C1 ZINC000085542482 IJ Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(C)CCC[C@@](C)(C3CCCC3)[C@H]12 ZINC000085542572 IJ Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]2([C@@H]3C[C@@H](Cc4ccc(N)nc4)CC4(CCCC4)C3)CC[C@@H]1[C@](N)(CCO)C2 ZINC000085543138 IJ Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]23CC[C@@H]1[C@](N)(CCO)[C@@H]2C#C[C@@H]1C=C[C@H](c2ccc(O)cc21)[C@@H]1CCC[C@H]3C1 ZINC000085543166 IJ Annotated Mild in-vitro biogenic C=C1[C@H]2CC[C@@](C(=O)CCc3cccc(-c4cc(O)cc(CNC)c4)c3)(C1(C)C)[C@]2(O)OC ZINC000085546373 IJ Annotated Mild in-vitro biogenic O=Cc1ccc([C@@H](C2CCCC2)[C@H]2C[C@@H](CN[C@@H]3CCCC34CCCC4)[C@@]3(O)CN23)cc1 ZINC000085547807 IJ Annotated Anodyne in-vitro biogenic C[C@@H]1CC[C@@H]2CC3=C4CCC[C@]5(CCNC(N)=N5)CSSCC[C@]2(C)[C@]31CC4=O ZINC000085549541 IJ Annotated Reactive in-vitro biogenic C=C([C@H]1CC[C@@](C)(O)[C@H]2CC[C@@](O)(CCNC(=N)NC)[C@H]2C1)[C@@H]1CCCCC12CCCC2 ZINC000085549775 IJ Annotated Mild in-vitro biogenic Oc1cc2cc(-c3c(O)c(O)cc4[nH]c(-c5c(O)c(O)cc6[nH]ccc56)cc34)[nH]c2cc1O ZINC000085591993 IJ Annotated Clean in-vitro Oc1cc2cc(-c3c(O)c(O)cc4[nH]c(-c5c(O)c(O)cc6cc[nH]c56)cc34)[nH]c2cc1O ZINC000085591994 IJ Annotated Clean in-vitro CCCCCCOC(=O)[C@]12O[C@@]1(C/C=C(\C)CCC1=C[CH+]N=C1)C(=O)c1ccccc1C2=O ZINC000085592731 IJ Annotated Mild in-vitro biogenic CC(C)c1c2c(c(OC3CCCC3)c3c(=O)cc(CO)oc13)[C@H]1CCC[C@@](C)(O)[C@H]1O2 ZINC000085594421 IJ Annotated Anodyne in-vitro biogenic C[C@@]1(O)CCC[C@@H]2c3c(cc4oc(C5(O)CCCC5)cc(=O)c4c3OC3CCCC3)O[C@@H]21 ZINC000085594443 IJ Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C\CC(C)C)c2c(cc3c(c2OC)[C@@H]2C=CC[C@@](C)(O)[C@H]2O3)O1 ZINC000085595039 IJ Annotated Anodyne in-vitro biogenic CCCOc1c2c(cc3c1/C(=C/CC(C)C)C=C(C(=O)OCC)O3)O[C@H](C(C)(C)O)C2 ZINC000085595054 IJ Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CCCC[C@H](CO)CCc2ccccc2)cc1OC ZINC000085596230 IJ Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](O)C[C@H](CCc3ccc(O)c(CCC(C)C)c3)O2)cc(O)c1O ZINC000085596418 IJ Annotated Clean in-vitro biogenic COc1c(O)ccc(CCC(=O)C[C@H](O)CCC2CCCC2)c1-c1ccc(CN)cc1 ZINC000085597485 IJ Annotated Anodyne in-vitro biogenic Oc1cc2cc(-c3cc4c(-c5cc6cc(O)c(O)cc6[nH]5)c(O)c(O)cc4[nH]3)[nH]c2cc1O ZINC000085598851 IJ Annotated Clean in-vitro CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C(C(C)C)C=N3)c2)c[c-]1CO ZINC000085624371 IJ Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@H](C2=C[CH+]N=C2)[C@@H]([C@H](CC(=O)CCc2ccc(O)c(OC)c2)OC(C)=O)C1 ZINC000085624654 IJ Annotated Mild in-vitro biogenic CC[C@H]1C=C[C@H](C2=C[CH+]N=C2)[C@@H]([C@H](CC(=O)CCc2ccc(O)c(OC)c2)OC(C)=O)C1 ZINC000085624656 IJ Annotated Mild in-vitro biogenic CCC[C@H](CO)[C@@H]1CC[C@](CCc2ccc(O)c(OC3CCCC3)c2)(OC(C)=O)C[C@H]1O ZINC000085627575 IJ Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CNC)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627653 IJ Annotated Clean in-vitro biogenic CC(=O)O[C@H](CCc1ccc(O)c(OC2CCCC2)c1)C[C@@H](O)CCCCCCCO ZINC000085627697 IJ Annotated Anodyne in-vitro biogenic CC[C@H]1C#CC[C@H](Cc2ccc(O)c(OC3CCCC3)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628405 IJ Annotated Mild in-vitro biogenic CNCCCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2)c1 ZINC000085630069 IJ Annotated Mild in-vitro biogenic CC1(C)O[C@](C)([C@@H]2C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O)CC[C@H]1Br ZINC000085637871 IJ Annotated Reactive CC(=O)O[C@@H]1C[C@@]2(C)C[C@@](O)([C@H]3CC(=O)C(C)=C[C@H]3O)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000085639861 IJ Annotated Mild COC(=O)C1=C(C)[C@@]2(C)C[C@]3(OC2=C(C)C1=O)[C@@H](C)CC[C@H]1C(C)(C)[C@H](O)CC[C@@]13C ZINC000085644271 IJ Annotated Mild CC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC=C2COC(=O)CC(=O)O ZINC000085669478 IJ Annotated Anodyne COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H]1C(C)=CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C ZINC000085846483 IJ Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1C=C(C(=O)O)[C@H](CCC2=CCOC2=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000085876129 IJ Annotated Anodyne O=C(CCCCCCCCCCCCc1ccc2c(c1)OCO2)[C@H]1C(=O)CC[C@@H](O)C1=O ZINC000085881567 IJ Annotated Anodyne CCC[C@H](CC(=O)O)c1c2c(c(OC(C)=O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2 ZINC000085943444 IJ Annotated Anodyne CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)C1=C[C@@H](O)CCC1=O)OC ZINC000085949219 IJ Annotated Mild COc1ccc2c(c1OC)-c1cc(ccc1O)CCC(=O)O[C@@H]1C[C@H]3CCCCN3[C@@H]2C1 ZINC000085981318 IJ Annotated Anodyne in-man COc1cc2c(cc1OC)[C@H]1C[C@@H](C[C@H]3CCCCN31)OC(=O)CCc1ccc(O)c-2c1 ZINC000085981399 IJ Annotated Anodyne COc1cc(OC)c([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN32)cc1OC ZINC000085988107 IJ Annotated Anodyne COc1cc([C@H]2N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]3CCCN32)cc(OC)c1OC ZINC000085988136 IJ Annotated Anodyne CCCCCCCc1cc(O)cc2oc(Cc3cc(O)c(O)cc3C(=O)O)cc(=O)c12 ZINC000086031200 IJ Annotated Mild COc1ccc(C(=O)[C@@H]2C(=O)O[C@@](C)(CC/C=C(\C)CC(=O)CC(C)C)[C@H]2C)c(O)c1 ZINC000086034141 IJ Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)O[C@@](C)(CC/C=C(\C)CC(=O)CC(C)C)[C@@H]2C)c(O)c1 ZINC000086034150 IJ Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)O[C@@](C)(CC/C=C(\C)CC(=O)C=C(C)C)[C@H]2C)c(O)c1 ZINC000086034188 IJ Annotated Mild CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@H](N)CC2 ZINC000088260979 IJ Annotated Anodyne CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@H](N)CC2 ZINC000088260980 IJ Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)C[C@](C)(Cn1ccc(-c3cccc4c3NCC4)n1)O2 ZINC000089210144 IJ Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)C[C@@](C)(Cn1ccc(-c3cccc4c3NCC4)n1)O2 ZINC000089210147 IJ Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)C[C@](C)(Cn1nccc1-c1cccc3c1NCC3)O2 ZINC000089210179 IJ Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)C[C@@](C)(Cn1nccc1-c1cccc3c1NCC3)O2 ZINC000089210183 IJ Annotated Anodyne O=C(NCCC(=C/C=[N+]1\CCc2ccccc21)/C=C/N1CCc2ccccc21)C(F)(F)F ZINC000089210549 IJ Annotated Clean O=C(OCCN(N1CCCCC1)N1CCCCC1)c1cc2ccccc2n1-c1ccccc1 ZINC000089456501 IJ Annotated Anodyne O[C@](c1ccc(I)cc1)(c1cccnc1)c1cc2ccccc2o1 ZINC000089464402 IJ Annotated Anodyne O[C@@](c1ccc(I)cc1)(c1cccnc1)c1cc2ccccc2o1 ZINC000089464405 IJ Annotated Anodyne Clc1ccc(N2CCN(Cc3cn4cc(Br)ccc4n3)CC2)cc1Cl ZINC000089774816 IJ Annotated Anodyne O=C1N/C(=N\N=C\c2ccc3ncccc3c2)S[C@H]1Cc1ccc(SC(F)F)cc1 ZINC000009090367 IJ Annotated Mild aggregator O=C1N/C(=N\N=C\c2ccc3ncccc3c2)S[C@@H]1Cc1ccc(SC(F)F)cc1 ZINC000009090368 IJ Annotated Mild aggregator COc1cc(/C=N/Nc2ccc(Cl)c(C(=O)O)c2)ccc1OC(=O)c1cccs1 ZINC000009097116 IJ Annotated Mild COC(=O)[C@@H]1CCC[C@H](NCc2cc(/C=C\c3cn(C)c4ccc(Cl)cc34)[nH]n2)C1 ZINC000009132714 IJ Annotated Anodyne COc1ccc2c(Sc3ccc(C)cc3)c(C(=O)N3CCC4(CC3)OCCO4)[nH]c2c1 ZINC000009288416 IJ Annotated Anodyne COc1ccc(Cl)cc1N(C)C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000009407530 IJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC2=CCCCC2)[C@H]1c1cccs1 ZINC000009432499 IJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC2=CCCCC2)[C@@H]1c1cccs1 ZINC000009432500 IJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC2=CCCCC2)[C@H]1c1cccs1 ZINC000009432501 IJ Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC2=CCCCC2)[C@@H]1c1cccs1 ZINC000009432502 IJ Annotated Anodyne CCc1ccc2n(-c3ccc(OC)cc3)c(S)c(C(=O)Nc3cc(C)cc(C)c3)[n+]2c1 ZINC000009443451 IJ Annotated Anodyne COc1ccc2c(c1)c(=O)c1ccccc1n2C/C(O)=N/c1ccc(Br)cn1 ZINC000009490784 IJ Annotated Anodyne CCC1=Nc2cc(C(=O)N3CCN(C)CC3)ccc2Sc2ccc(Br)cc21 ZINC000009608294 IJ Annotated Anodyne Cc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(CC(C)C)cc4)CC3)o2)cc1 ZINC000009639941 IJ Annotated Anodyne Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(CC(=O)N[C@@H](C)c3ccccc3)c21 ZINC000009645138 IJ Annotated Anodyne Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(CC(=O)N[C@H](C)c3ccccc3)c21 ZINC000009645141 IJ Annotated Anodyne O=C(/N=N\c1c(O)[nH]c2ccc(F)cc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000009738274 IJ Annotated Clean O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1)c1ccco1 ZINC000009764729 IJ Annotated Anodyne C/C(=C\CC/C=C(\C)CC[C@H](O)[C@@](C)(O)CCO)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000095486035 IJ Annotated Anodyne in-vitro biogenic CCOC(=O)[C@H]1CN(Cc2ccc(Cl)cc2F)CC[C@@H]1NC1C2CC3CC(C2)CC1C3 ZINC000095543257 IJ Annotated Anodyne COc1ccc(Br)cc1/C=N/c1ccccc1CS(=O)(=O)c1cccn1C ZINC000095552056 IJ Annotated Mild O=C(CCCC(=O)/C(=C\c1ccc2c(c1)OCO2)CC(=O)c1ccccc1)OCCCl ZINC000095553123 IJ Annotated Reactive CC1=NN(c2ccccc2)C(=O)[C@@]12[C@H](C(=O)OC(C)C)C2(c1ccccc1)c1ccccc1 ZINC000095553792 IJ Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@]12[C@H](C(=O)OC(C)C)C2(c1ccccc1)c1ccccc1 ZINC000095553793 IJ Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@@]12[C@@H](C(=O)OC(C)C)C2(c1ccccc1)c1ccccc1 ZINC000095553794 IJ Annotated Anodyne CC1=NN(c2ccccc2)C(=O)[C@]12[C@@H](C(=O)OC(C)C)C2(c1ccccc1)c1ccccc1 ZINC000095553795 IJ Annotated Anodyne COc1ccc(C2=NN(C(C)C)C(=O)C2(C)C)cc1OCCCCOc1ccc(C#N)cc1 ZINC000095555812 IJ Annotated Mild Cc1nc2ccccc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C ZINC000095555846 IJ Annotated Anodyne CCOC(=O)[C@]1(C)C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C ZINC000095556252 IJ Annotated Anodyne CCOC(=O)[C@@]1(C)C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(c1ccccc1)N=C2C ZINC000095556253 IJ Annotated Anodyne CCOC(=O)[C@]1(C)C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C ZINC000095556254 IJ Annotated Anodyne CCOC(=O)[C@@]1(C)C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(c1ccccc1)N=C2C ZINC000095556255 IJ Annotated Anodyne CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2cc(OC)c(Cl)cc2c1=O ZINC000095557671 IJ Annotated Anodyne CCOc1ccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC ZINC000095557678 IJ Annotated Clean Cc1ccc(O)cc1CC[C@@H]1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@H]1[C@@H]2[C@H](C)[C@@]23O[C@@H]2C[C@H](C)CN13 ZINC000095558796 IJ Annotated Anodyne C=CCn1c(CN2C3=Nc4ccccc4C(=O)NC3=Nc3ccccc32)nc2ccccc21 ZINC000095559534 IJ Annotated Mild COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(Cc1cc(C)on1)CC3 ZINC000095560079 IJ Annotated Bother CCCCCCCC[N+](C)(C)Cc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000095560379 IJ Annotated Mild O=C(Oc1c(Cl)cc(Cl)cc1C(=O)Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000095561942 IJ Annotated Bother Cc1ccc(NC(=O)CSc2nncnc2-c2cccc3ccccc23)c([N+](=O)[O-])c1 ZINC000095562328 IJ Annotated Bother O=C(CSc1nncnc1-c1ccccc1Cl)Nc1ccccc1Br ZINC000095562583 IJ Annotated Anodyne O=C(Nc1sc2c(c1C(=O)N1CC(F)(F)C1)CCC(F)(F)C2)c1ccccc1Cl ZINC000095562665 IJ Annotated Anodyne COc1cccc2cc(C(=O)/C=C/c3cc[n+](Cc4ccc(CCl)cc4)cc3)c(=O)oc12 ZINC000095562674 IJ Annotated Reactive CC(=O)O[C@@H]1[C@@H](n2ccc3ccccc32)C=C[C@H](n2ccc3ccccc32)[C@H]1OC(C)=O ZINC000095563662 IJ Annotated Anodyne Cc1ccc(NC(=O)CSc2nncnc2-c2ccccc2Cl)c(Br)c1 ZINC000095563877 IJ Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nc(Cl)c2Br)C1 ZINC000095565172 IJ Annotated Anodyne Cc1nn(-c2ncccc2C(F)(F)F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl ZINC000095565553 IJ Annotated Anodyne CC[C@H]1CN(c2sc(-c3nc[nH]n3)c(-c3ccc(Cl)cc3Cl)c2C#N)CCO1 ZINC000095565902 IJ Annotated Mild Cc1ccnc(NC(=S)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1 ZINC000095566266 IJ Annotated Anodyne CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc12 ZINC000095566277 IJ Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1 ZINC000095566475 IJ Annotated Anodyne COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@@H]1c1ccccc1 ZINC000095566584 IJ Annotated Reactive COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@H]1c1ccccc1 ZINC000095566585 IJ Annotated Reactive Cc1cc(C)nc(NC(=S)N2CCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)c1 ZINC000095566833 IJ Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCCC2)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095566860 IJ Annotated Mild CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc12 ZINC000095567141 IJ Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCC(C)C)C[C@@]2(C(=O)OCC)CCC=C12 ZINC000095567213 IJ Annotated Mild CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCCC2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095567426 IJ Annotated Mild CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(Cc1ccccc1)C(=O)c1cc(OC)ccc12 ZINC000095567682 IJ Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3cc(Cl)cc(C(F)(F)F)c3)CC2)c1 ZINC000095568898 IJ Annotated Anodyne COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000095569021 IJ Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000095569382 IJ Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(c2c(C)cccc2C)CC1 ZINC000095569421 IJ Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(c2c(C)cccc2C)CC1 ZINC000095569422 IJ Annotated Anodyne CCOC(=O)[C@]12Cc3ccc(C)cc3[C@H]1N(C1CCCCC1)C(=O)c1cc(OC)ccc12 ZINC000095569431 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccc4ccccc34)OC[C@@H]2C(C)C)cc1 ZINC000095569466 IJ Annotated Anodyne Cc1cccc(C)c1N1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2C(C)(C)C)CC1 ZINC000095569603 IJ Annotated Anodyne Cc1cccc(C)c1N1CCN([C@H](c2cc3ccccc3o2)c2nnnn2C(C)(C)C)CC1 ZINC000095569604 IJ Annotated Anodyne COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@@H]1c1cccc(F)c1 ZINC000095569606 IJ Annotated Reactive COC(=O)C1=CN(c2ccc(Oc3ccccc3)cc2)C(N)=C(C#N)[C@H]1c1cccc(F)c1 ZINC000095569607 IJ Annotated Reactive CCCCCNC(=O)[C@@H](c1ccc(OC)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569682 IJ Annotated Anodyne CCCCCNC(=O)[C@H](c1ccc(OC)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569683 IJ Annotated Anodyne COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000095569713 IJ Annotated Reactive COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000095569714 IJ Annotated Reactive Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccncc2)c1C(=O)NCc1cccc2ccccc12 ZINC000095569723 IJ Annotated Anodyne CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(Cc1ccccc1)C(=O)c1cc(F)c(F)cc12 ZINC000095570057 IJ Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(CCC2=CCCCC2)C1=O ZINC000095570219 IJ Annotated Anodyne CSCC[C@@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2cccnc2)nc2ccccc21 ZINC000095570435 IJ Annotated Anodyne CSCC[C@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2cccnc2)nc2ccccc21 ZINC000095570436 IJ Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)cc3C(F)(F)F)CC2)c1 ZINC000095570471 IJ Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(CCC2=CCCCC2)C1=O ZINC000095570745 IJ Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 ZINC000095571191 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cc2ccccc2o1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095571329 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cc2ccccc2o1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095571330 IJ Annotated Anodyne CCCCCn1cc(C(=O)N[C@@H](CC)CO)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095571837 IJ Annotated Anodyne CCCCCn1cc(C(=O)N[C@H](CC)CO)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095571838 IJ Annotated Anodyne O=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1N1CCc2ccccc2C1 ZINC000095571845 IJ Annotated Anodyne COc1cc(/C=C2\OC[C@@H]3CCC[C@H](c4ccc(F)cc4)N3C2=O)ccc1-n1cnc(C)c1 ZINC000095572412 IJ Annotated Anodyne NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cc(F)cc(F)c21 ZINC000095573460 IJ Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3cc(Cl)cc(C#N)c3)cc1[C@@]21N=C(C)C(N)=N1 ZINC000095573529 IJ Annotated Mild COC1CCC2(CC1)Cc1ccc(-c3cc(Cl)cc(C#N)c3)cc1[C@]21N=C(C)C(N)=N1 ZINC000095573530 IJ Annotated Mild CCCSc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cnn1-c1ccc(C(=O)O)cc1 ZINC000095574582 IJ Annotated Anodyne CCCN1CCc2c(c3cc(OC)c(OC)cc3c3c(OC)c(OC)c(OC)cc23)C1 ZINC000095574629 IJ Annotated Bother COc1nc(Nc2nc(C)cc3c2nc(-c2ccc(F)cc2)n3C)ccc1-n1cnc(C)c1 ZINC000095575101 IJ Annotated Anodyne COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2cc1OC)CCN(C(C)C)C3 ZINC000095576281 IJ Annotated Bother COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3Cc2ccccc2)ccc1-n1cnc(C)c1 ZINC000095576449 IJ Annotated Anodyne Cc1c(C2=C[C@H](c3ccc(Cl)cc3Cl)NC(=S)N2)nnn1Cc1ccccc1 ZINC000095576544 IJ Annotated Anodyne Cc1c(C2=C[C@@H](c3ccc(Cl)cc3Cl)NC(=S)N2)nnn1Cc1ccccc1 ZINC000095576545 IJ Annotated Anodyne CN(C)CCOC(=O)C(CN)(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000095576616 IJ Annotated Anodyne O=S(=O)(NCCCNc1c2c3ccccc3nc-2oc2ccccc12)c1ccccc1 ZINC000095576653 IJ Annotated Bother CC1(C)OC[C@H](COc2ccc3c(c2)CCc2cc(Nc4ccccc4N)ccc2C3=O)O1 ZINC000095576665 IJ Annotated Anodyne COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cccc3ccccc23)cc1 ZINC000095576900 IJ Annotated Mild O=C1c2ccc(Sc3ccc(Br)cc3)cc2C(=O)c2cc(O)c(O)cc21 ZINC000095576981 IJ Annotated Clean COc1nc2c(cc1S(=O)(=O)c1ccccc1)CCc1cn(Cc3ccccc3)cc1-2 ZINC000095577092 IJ Annotated Anodyne O=c1nc(N2CCC(c3ccccc3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 ZINC000095577489 IJ Annotated Bother COc1cc(/C=C2\CCCN3C[C@@H](Cc4ccccc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095577635 IJ Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@H](Cc4ccccc4)ON=C23)ccc1-n1cnc(C)c1 ZINC000095577636 IJ Annotated Anodyne CC1(C)OC[C@H](COc2ccc3c(c2)C(=O)c2ccc(Nc4ccccc4N)cc2CC3)O1 ZINC000095577740 IJ Annotated Anodyne CC1(C)OC[C@@H](COc2ccc3c(c2)C(=O)c2ccc(Nc4ccccc4N)cc2CC3)O1 ZINC000095578341 IJ Annotated Anodyne N#Cc1cc(Nc2nc3n(n2)CCC[C@H]3c2ccc(F)cc2)ccc1-n1cnc(Cl)c1 ZINC000095578837 IJ Annotated Mild N#Cc1cc(Nc2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)ccc1-n1cnc(Cl)c1 ZINC000095578838 IJ Annotated Mild Nc1cccc(CN2C(=O)CN(/N=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=O)c1 ZINC000095579010 IJ Annotated Mild N#Cc1ccc(CN(C(=O)c2sc3cc(F)ccc3c2Cl)C2CCNCC2)cc1 ZINC000095579044 IJ Annotated Mild CCC#Cc1cncc(-c2ccc3c(c2)[C@@]2(N=C(C)C(N)=N2)C2(CCC(OC)CC2)C3)c1 ZINC000095579422 IJ Annotated Mild CCC#Cc1cncc(-c2ccc3c(c2)[C@]2(N=C(C)C(N)=N2)C2(CCC(OC)CC2)C3)c1 ZINC000095579423 IJ Annotated Mild Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)C)N3CCCC4(CCCCC4)C3)cc2c1 ZINC000095580622 IJ Annotated Anodyne Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)C)N3CCCC4(CCCCC4)C3)cc2c1 ZINC000095580623 IJ Annotated Anodyne COc1cccc(OC)c1-c1cnnc(N2CCCC[C@@H]2c2nc3ccccc3s2)n1 ZINC000095580981 IJ Annotated Anodyne COc1cccc(OC)c1-c1cnnc(N2CCCC[C@H]2c2nc3ccccc3s2)n1 ZINC000095580982 IJ Annotated Anodyne Cc1cncnc1NS(=O)(=O)c1ccc(Oc2ccccc2-c2ccccc2)c(C#N)c1 ZINC000095581006 IJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cccc(-c2ccccn2)c1 ZINC000095581076 IJ Annotated Mild Cc1c(CC(=O)Nc2ccc(C(=O)O)cc2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 ZINC000095581089 IJ Annotated Anodyne Cc1coc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)n1 ZINC000095581171 IJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095581257 IJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cnsn2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095581283 IJ Annotated Mild Cc1c(CC(=O)Nc2cccc(C(=O)O)c2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 ZINC000095581304 IJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncsn2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095581313 IJ Annotated Mild CCCOc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OCC)c(OCCC)c2)ccc1O ZINC000095581494 IJ Annotated Anodyne Cc1ccc(NC(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1C ZINC000095581598 IJ Annotated Anodyne Cc1cc(C)n(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)c(F)c3)cc2)n1 ZINC000095581692 IJ Annotated Anodyne Cc1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)c(-c2ccnn2C)c1 ZINC000095581711 IJ Annotated Anodyne Cc1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)c(-c2[nH]ncc2C)c1 ZINC000095581719 IJ Annotated Anodyne Cc1ccnc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)c1 ZINC000095582065 IJ Annotated Mild COC1=C(OC)C(=O)C(CCCCCCCCCCOc2cc(O)cc(O)c2)=C(C)C1=O ZINC000095582183 IJ Annotated Mild N#Cc1cc(Oc2ccccc2-c2ccccc2)ccc1S(=O)(=O)Nc1ncns1 ZINC000095582372 IJ Annotated Mild Cc1c(CC(=O)Nc2ccc(C(=O)O)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 ZINC000095582514 IJ Annotated Anodyne O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(F)cc2)cc1OC(F)(F)F ZINC000095582626 IJ Annotated Anodyne Cc1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)c(-c2ccn(C)n2)c1 ZINC000095582632 IJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nncs2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095582841 IJ Annotated Mild COc1ccc([C@@H](C)NC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000095582888 IJ Annotated Mild COc1ccc([C@@H](C)NC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000095582889 IJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ccncn2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095583162 IJ Annotated Mild Cc1c(CC(=O)Nc2ccc(CC(=O)O)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 ZINC000095583387 IJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(F)cn2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095583444 IJ Annotated Mild Cc1c(CCC(=O)Nc2cccc(C(=O)O)c2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 ZINC000095583606 IJ Annotated Anodyne Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)nc1 ZINC000095583622 IJ Annotated Mild Cc1c(CCC(=O)Nc2ccc(C(=O)O)cc2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 ZINC000095583703 IJ Annotated Anodyne Cc1c(CC(=O)Nc2cccc(C(=O)O)c2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 ZINC000095583749 IJ Annotated Anodyne Cc1cnc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)nc1 ZINC000095583807 IJ Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccc(F)cc1C1CC1 ZINC000095583832 IJ Annotated Mild COc1ccc([C@H](C)NC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000095584255 IJ Annotated Mild COc1ccc([C@H](C)NC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCCCCC2)cc1 ZINC000095584256 IJ Annotated Mild O=S(=O)(Nc1nncs1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1 ZINC000095584560 IJ Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c2nn(-c3ccccc3)cc2n1 ZINC000095584693 IJ Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2ccccc2)nc1 ZINC000095584714 IJ Annotated Mild Cc1cc(C)n(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3F)cc2)n1 ZINC000095584734 IJ Annotated Anodyne Cc1nsc(NS(=O)(=O)c2ccc(Oc3ccccc3-c3ccccc3)c(C#N)c2)n1 ZINC000095584904 IJ Annotated Mild COc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1ccccc1 ZINC000095585305 IJ Annotated Anodyne Cc1c(CC(=O)NCc2ccc(C(=O)O)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 ZINC000095585506 IJ Annotated Anodyne O=S(=O)(Nc1cscn1)c1ccc(Oc2ccc(Cl)cc2-c2cn[nH]c2)cc1 ZINC000095585776 IJ Annotated Anodyne CC1(C)CCN(C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3cccc(Cl)c3)c21 ZINC000095585980 IJ Annotated Anodyne Cc1ccc(-c2nnc(S)n2/N=C/c2c[nH]nc2-c2ccc(Cl)cc2Cl)cn1 ZINC000095586023 IJ Annotated Mild Cc1nn(-c2ccccc2Cl)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1CO2 ZINC000095586181 IJ Annotated Anodyne NS(=O)(=O)c1cccc(Nc2nnc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)c1 ZINC000095586251 IJ Annotated Anodyne COc1ccc(-c2nc(SCc3ccccc3)nc(N3CCSCC3)c2C#N)cc1 ZINC000095586745 IJ Annotated Mild C#Cc1cccc(Nc2nc(NC(=O)C(C)(C)C)nc3[nH]c(CCc4ccccn4)cc23)c1 ZINC000095586859 IJ Annotated Mild CN1CCC(COCc2cc(C(F)(F)F)cc(N3CCCC3)n2)(c2ccccc2)CC1 ZINC000095586916 IJ Annotated Anodyne C/C(=N\Nc1nc([C@H](C)NC(=O)OCc2ccccc2)cs1)c1ccc2c(c1)CCC2 ZINC000095586954 IJ Annotated Mild CCN(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1 ZINC000095587191 IJ Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H](O)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000095587489 IJ Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H](O)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000095587490 IJ Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3C(=O)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000095587879 IJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(CNCc3ccc(C(F)(F)F)cc3)nc21 ZINC000095588190 IJ Annotated Clean CCCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000095589364 IJ Annotated Mild CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ncnn1CC(F)(F)F ZINC000095589517 IJ Annotated Anodyne Cc1ccc(Cl)c(NC(=O)CSc2nnc(CNc3c(C)cccc3C)n2C)c1 ZINC000095589887 IJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(CNCc3cccc(C(F)(F)F)c3)nc21 ZINC000095590931 IJ Annotated Clean C[C@@H]1CCCC[C@@H]1Oc1cc(CCc2ccccc2)[nH]c(=O)c1I ZINC000095591389 IJ Annotated Anodyne C[C@H]1CCCC[C@@H]1Oc1cc(CCc2ccccc2)[nH]c(=O)c1I ZINC000095591390 IJ Annotated Anodyne C[C@@H]1CCCC[C@H]1Oc1cc(CCc2ccccc2)[nH]c(=O)c1I ZINC000095591391 IJ Annotated Anodyne C[C@H]1CCCC[C@H]1Oc1cc(CCc2ccccc2)[nH]c(=O)c1I ZINC000095591392 IJ Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(CNCc3ccccc3C(F)(F)F)nc21 ZINC000095591683 IJ Annotated Clean NS(=O)(=O)c1cc2nc(-c3c(Cl)cccc3Cl)n3c4ccccc4oc(c1)c23 ZINC000095591741 IJ Annotated Bother CO[C@H]1O[C@H](OC)[C@H]2C1=CC[C@H]1C(C)(C)CC[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@]12C ZINC000095592006 IJ Annotated Anodyne CCOC(=O)C1=C(C)N(C)/C(=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C1=O ZINC000095592315 IJ Annotated Mild CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(Cc3ccc(C(F)(F)F)cc3)c2C)C1=O ZINC000095592349 IJ Annotated Mild CCOC(=O)C1=C(C)N/C(=C/c2cc(CC)n(-c3ccccc3C(F)(F)F)c2CC)C1=O ZINC000095592458 IJ Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1C(C)(C)O2 ZINC000095592489 IJ Annotated Anodyne CCOC(=O)C1=C(C)N/C(=C/c2c(C)c(C)n(-c3ccccc3C(F)(F)F)c2C)C1=O ZINC000095592895 IJ Annotated Mild Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1CO2 ZINC000095592916 IJ Annotated Anodyne O=C(CCc1nnc2sc(-c3ccc(Cl)cc3Cl)nn12)c1nc2ccccc2[nH]1 ZINC000095592949 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cnccn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095593700 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cnccn1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095593701 IJ Annotated Anodyne CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CC#N)c2ccccc2O3)cc1 ZINC000095593955 IJ Annotated Mild O=c1c2ccccc2n(CCOS(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12 ZINC000095594812 IJ Annotated Mild CCN(CC)CCCCOc1c(I)cc(Cl)c2cccnc12 ZINC000095595346 IJ Annotated Anodyne COCO[C@H](c1ccc(OC)c(OC)c1)[C@@H](C)Oc1ccc(Br)cc1OC ZINC000095595622 IJ Annotated Anodyne Cc1cc(OCc2cnnn2/C=C/c2ccccc2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095595649 IJ Annotated Anodyne O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(C(=O)N3CCOCC3)cc21 ZINC000095596090 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1cnco1)c1ccc(C(C)(C)C)cc1 ZINC000095596140 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1cnco1)c1ccc(C(C)(C)C)cc1 ZINC000095596141 IJ Annotated Anodyne Cc1nc2ccc(C(=O)NCCc3ccccc3)cc2n2c(-c3ccccc3Cl)nnc12 ZINC000095596144 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ncco1)c1ccc(C(C)(C)C)cc1 ZINC000095596198 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ncco1)c1ccc(C(C)(C)C)cc1 ZINC000095596199 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccnnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095596896 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccnnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 ZINC000095596897 IJ Annotated Anodyne CCOC(=O)C1=CN(Cc2ccccc2Cl)C=C(C(=O)OCC)C1c1ccc(O)cc1 ZINC000095597054 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)[C@@H]1CCCO1)c1ccc(C(C)(C)C)cc1 ZINC000095598172 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)[C@@H]1CCCO1)c1ccc(C(C)(C)C)cc1 ZINC000095598173 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)[C@H]1CCCO1)c1ccc(C(C)(C)C)cc1 ZINC000095598174 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)[C@H]1CCCO1)c1ccc(C(C)(C)C)cc1 ZINC000095598175 IJ Annotated Anodyne C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(Oc4cccc(F)c4)cc3)cc2)CCN1 ZINC000095598475 IJ Annotated Anodyne C[C@H]1CN(c2ccc(F)c(NS(=O)(=O)c3ccc(-c4cccs4)cc3)c2)C[C@@H](C)N1 ZINC000095598538 IJ Annotated Anodyne C[C@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccco4)cc3)c2)C[C@@H](C)N1 ZINC000095598552 IJ Annotated Anodyne Cc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC000095598559 IJ Annotated Anodyne Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N(C)c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 ZINC000095598564 IJ Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)[C@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000095598876 IJ Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5CCCC[C@@]54C(C)=O)[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000095598923 IJ Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@@H]3CC(=O)[C@@]2(O)C1 ZINC000095598925 IJ Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2ccccc2)c2nnnn2C2CCCCC2)CC1 ZINC000095599080 IJ Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2ccccc2)c2nnnn2C2CCCCC2)CC1 ZINC000095599081 IJ Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@H]1CO ZINC000095599744 IJ Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095600161 IJ Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@H](CO)N3C)cc1 ZINC000095600586 IJ Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3C)c1 ZINC000095600952 IJ Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095600972 IJ Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@@H](C)Cn2cc(C3=CCCCC3)nn2)on1 ZINC000095600979 IJ Annotated Anodyne CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@H](C)Cn2cc(C3=CCCCC3)nn2)on1 ZINC000095600980 IJ Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(/C=C/c4ccccc4)cc3)cc2S1(=O)=O ZINC000095601444 IJ Annotated Anodyne CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(/C=C/c4ccccc4)cc3)cc2S1(=O)=O ZINC000095601445 IJ Annotated Anodyne COCCNc1nc(OCCc2ccc(OC)cc2)c2c(n1)-c1ccccc1CC2(C)C ZINC000095601468 IJ Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3ncsc3ccc2n1Cc1cc(F)ccc1F ZINC000095601473 IJ Annotated Anodyne O=C(O)c1c(-c2ccc[nH]c2=O)c2c3scnc3ccc2n1Cc1ccc(F)cc1F ZINC000095601499 IJ Annotated Anodyne O=c1c(-c2ccccc2)nc2ccccc2n1[C@@H](c1ccccn1)c1nc2ccccc2[nH]1 ZINC000095601695 IJ Annotated Anodyne O=c1c(-c2ccccc2)nc2ccccc2n1[C@H](c1ccccn1)c1nc2ccccc2[nH]1 ZINC000095601696 IJ Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(Cl)c(=O)[nH]2)=N1 ZINC000095601775 IJ Annotated Anodyne CC1(C)C[C@@]2(NC(=N)N(CC(F)(F)F)C2=O)c2cc(-c3cccc(Cl)c3)ccc2O1 ZINC000095601885 IJ Annotated Anodyne CC1(C)C[C@]2(NC(=N)N(CC(F)(F)F)C2=O)c2cc(-c3cccc(Cl)c3)ccc2O1 ZINC000095601886 IJ Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@H](CO)N3C)cc1 ZINC000095602329 IJ Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@@H](CO)N3C)cc1 ZINC000095602382 IJ Annotated Anodyne CSCC[C@H](C(=O)NC(C)(C)C)n1c(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000095602688 IJ Annotated Anodyne CSCC[C@@H](C(=O)NC(C)(C)C)n1c(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000095602689 IJ Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095602769 IJ Annotated Anodyne N#C[C@H]1[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095603395 IJ Annotated Mild Cc1nc(NC(=O)C(C)(C)C)sc1C(=O)Cn1cc(-c2ccc(C(C)(C)C)cc2)nn1 ZINC000095604257 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccccc1F)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095605156 IJ Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccc1F)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095605157 IJ Annotated Anodyne CCCC[C@H]1OC(=O)c2cc(NC(=O)c3cccc(OCCCCO[N+](=O)[O-])c3)ccc21 ZINC000095605578 IJ Annotated Anodyne CCCC[C@@H]1OC(=O)c2cc(NC(=O)c3cccc(OCCCCO[N+](=O)[O-])c3)ccc21 ZINC000095605579 IJ Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@]1(C)CSCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000095605770 IJ Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@]1(C)CSCC(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000095605771 IJ Annotated Anodyne COC(=O)c1ccccc1-c1ccc([C@@H](C)Nc2nccc(C)c2NC(=O)CC#N)cc1 ZINC000095607709 IJ Annotated Mild CC(C)[C@H]1C(=O)N[C@H](c2ccc(F)cc2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C ZINC000095662838 IJ Annotated Anodyne CC(C)[C@H]1C(=O)N[C@@H](c2ccc(F)cc2)C/C=C/C[C@H](C)Oc2ccccc2C(=O)N1C ZINC000095663890 IJ Annotated Anodyne CC(C)[C@@H]1C(=O)N[C@@H](c2ccc(F)cc2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C ZINC000095664334 IJ Annotated Anodyne CC(C)[C@@H]1C(=O)N[C@@H](c2ccc(F)cc2)C/C=C/C[C@H](C)Oc2ccccc2C(=O)N1C ZINC000095665170 IJ Annotated Anodyne O=C(N[C@H](CCc1cccc(F)c1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749176 IJ Annotated Anodyne O=C(N[C@@H](CCc1cccc(F)c1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749177 IJ Annotated Anodyne O=C(N[C@H](CCc1c(F)cccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749190 IJ Annotated Anodyne O=C(N[C@@H](CCc1c(F)cccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749191 IJ Annotated Anodyne O=C(NC[C@H](Cc1cccc(F)c1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749381 IJ Annotated Anodyne O=C(NC[C@@H](Cc1cccc(F)c1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749382 IJ Annotated Anodyne O=C(NC[C@H](Cc1ccc(F)cc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749385 IJ Annotated Anodyne O=C(NC[C@@H](Cc1ccc(F)cc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095749386 IJ Annotated Anodyne O=C(NC[C@H](Cc1cc(F)ccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095750514 IJ Annotated Anodyne O=C(NC[C@@H](Cc1cc(F)ccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095750516 IJ Annotated Anodyne O=C(NC[C@H](CC1=CN=C2C=CC=C[C@H]12)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095750669 IJ Annotated Anodyne O=C(NC[C@H](CC1=CN=C2C=CC=C[C@@H]12)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095750671 IJ Annotated Anodyne O=C(NC[C@@H](CC1=CN=C2C=CC=C[C@H]12)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095750673 IJ Annotated Anodyne O=C(NC[C@@H](CC1=CN=C2C=CC=C[C@@H]12)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000095750676 IJ Annotated Anodyne C[C@H]1ON(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000095783929 IJ Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)Nc3ccccc3)O[C@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000095784301 IJ Annotated Mild O=C(C1=C[C@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@H](OCCCCO)O1)N1CCCCC1 ZINC000095784598 IJ Annotated Anodyne O=C(C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCCCCO)O1)N1CCCCC1 ZINC000095784621 IJ Annotated Anodyne O=C(O)C1=C[C@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000095784639 IJ Annotated Anodyne O=C(O)C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000095784643 IJ Annotated Anodyne CC(C)=CCc1cc(/C=C2\OC(=O)[C@@H](c3cc4c(cc3O)OC(C)(C)CC4)C2=O)ccc1O ZINC000095784932 IJ Annotated Mild CC(C)=CCc1cc(/C=C2\OC(=O)[C@H](c3cc4c(cc3O)OC(C)(C)CC4)C2=O)ccc1O ZINC000095784933 IJ Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095794008 IJ Annotated Mild CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCCC2)[C@H]1CO ZINC000095797376 IJ Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@H]1CO ZINC000095797398 IJ Annotated Anodyne N#C[C@@H]1[C@H](c2ccccc2-c2cccc(F)c2)[C@H](CO)N1C(=O)Nc1cc(F)ccc1F ZINC000095797477 IJ Annotated Mild CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@H]1CO ZINC000095797532 IJ Annotated Anodyne CN1c2ccc(-c3cccc(C#N)c3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@H]1CO ZINC000095797687 IJ Annotated Mild CN1c2ccc(-c3ccc(F)cc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@@H]1CO ZINC000095798360 IJ Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095798472 IJ Annotated Mild CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095798495 IJ Annotated Anodyne CN1c2ccc(-c3ccc(F)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@H]1CO ZINC000095798496 IJ Annotated Anodyne Cc1ccc(S(=O)(=O)N(c2cccc(N=[N+]=[N-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095809253 IJ Annotated Mild CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO ZINC000095864561 IJ Annotated Anodyne N#C[C@@H]1[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095866550 IJ Annotated Mild CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095869152 IJ Annotated Anodyne N#C[C@@H]1[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095869154 IJ Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095869189 IJ Annotated Mild CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H]1CO ZINC000095869222 IJ Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H](CO)N1C(=O)Nc1ccc(F)cc1 ZINC000095869303 IJ Annotated Mild CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2C(=O)NC2CCCCC2)[C@@H]1CO ZINC000095869408 IJ Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21 ZINC000095873881 IJ Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095873882 IJ Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095873883 IJ Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095873884 IJ Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095873885 IJ Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095873886 IJ Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21 ZINC000095873887 IJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874392 IJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874393 IJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095874394 IJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874395 IJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095874396 IJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095874397 IJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874398 IJ Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095874399 IJ Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095874443 IJ Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095874444 IJ Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095874445 IJ Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@H]23)cc1 ZINC000095874446 IJ Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@H]23)cc1 ZINC000095874447 IJ Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095874448 IJ Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095874449 IJ Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095874450 IJ Annotated Mild Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1 ZINC000095874593 IJ Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1 ZINC000095874594 IJ Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(CCC(F)(F)F)CCCCN4[C@H]3CO)cc2)c1 ZINC000095874595 IJ Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@H]34)cc2)c1 ZINC000095874596 IJ Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@@H]34)cc2)c1 ZINC000095874597 IJ Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(CCC(F)(F)F)CCCCN4[C@H]3CO)cc2)c1 ZINC000095874598 IJ Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4CCCCN(CCC(F)(F)F)C[C@H]34)cc2)c1 ZINC000095874599 IJ Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874675 IJ Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874676 IJ Annotated Anodyne OC[C@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2CN(Cc3ccncc3)CCCCN21 ZINC000095874677 IJ Annotated Anodyne OC[C@@H]1[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874678 IJ Annotated Anodyne OC[C@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874679 IJ Annotated Anodyne OC[C@H]1[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874680 IJ Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095874755 IJ Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC000095874756 IJ Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095874757 IJ Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095874758 IJ Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095874759 IJ Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095874760 IJ Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095874761 IJ Annotated Anodyne O=C(Nc1ccccc1F)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC000095874762 IJ Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095874771 IJ Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095874772 IJ Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874773 IJ Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095874774 IJ Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095876976 IJ Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095876977 IJ Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095876978 IJ Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095876979 IJ Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095876980 IJ Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21 ZINC000095876981 IJ Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN21 ZINC000095876982 IJ Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H]2CN(CCC(F)(F)F)CCCCN12 ZINC000095876983 IJ Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095877020 IJ Annotated Anodyne OC[C@H]1[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2CN(Cc3cccnc3)CCCCN21 ZINC000095877021 IJ Annotated Anodyne OC[C@@H]1[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095877022 IJ Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095877023 IJ Annotated Anodyne OC[C@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095877024 IJ Annotated Anodyne OC[C@@H]1[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095877025 IJ Annotated Anodyne OC[C@H]1[C@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095877026 IJ Annotated Anodyne OC[C@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@H]2CN(Cc3cccnc3)CCCCN21 ZINC000095877027 IJ Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3C)c1 ZINC000095877327 IJ Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@@H](CO)N3C)c1 ZINC000095877328 IJ Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3C)c1 ZINC000095877329 IJ Annotated Anodyne CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2ccccc2F)[C@@H]1CO ZINC000095877524 IJ Annotated Anodyne CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)Nc2ccccc2F)[C@H]1CO ZINC000095877525 IJ Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@H](CO)N3C)c1 ZINC000095877714 IJ Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccc(F)cc2)[C@@H](CO)N3C)c1 ZINC000095877715 IJ Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@H](CO)N3C)cc1 ZINC000095877749 IJ Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@@H](CO)N3C)cc1 ZINC000095877816 IJ Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@H](CO)N3C)cc1 ZINC000095877817 IJ Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2ccccc2OC)[C@H](CO)N3)c1 ZINC000095878077 IJ Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2Cc2ccccc2OC)[C@@H](CO)N3)c1 ZINC000095878079 IJ Annotated Anodyne CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCCC2)[C@@H]1CO ZINC000095878220 IJ Annotated Mild CN1c2ccc(-c3ccc(C#N)cc3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCCC2)[C@H]1CO ZINC000095878221 IJ Annotated Mild COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@H](CO)N3C)cc1 ZINC000095878332 IJ Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@H]1CO ZINC000095878460 IJ Annotated Anodyne CN1c2ccc(-c3ccccc3F)cc2[C@@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)[C@@H]1CO ZINC000095878461 IJ Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@H](CO)N3C)cc1 ZINC000095878551 IJ Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccc(F)cc2)[C@@H](CO)N3C)cc1 ZINC000095878552 IJ Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@H]1CO ZINC000095878657 IJ Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)c2ccccc2F)[C@@H]1CO ZINC000095878658 IJ Annotated Anodyne CN1c2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccccc2F)[C@@H]1CO ZINC000095878659 IJ Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)NC2CCCCC2)[C@H](CO)N3C)cc1 ZINC000095878808 IJ Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 ZINC000095893443 IJ Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 ZINC000095893444 IJ Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 ZINC000095893445 IJ Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 ZINC000095893446 IJ Annotated Anodyne O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095894564 IJ Annotated Anodyne O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl ZINC000095894565 IJ Annotated Anodyne O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095894566 IJ Annotated Anodyne O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl ZINC000095894567 IJ Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H](CO)N1C(=O)Nc1ccccc1F ZINC000095898229 IJ Annotated Mild Cc1c(O)cc2c(c1O)C(=O)[C@@H](c1cc3c(cc1O)O[C@@]1(C)CC[C@H]4[C@H]1[C@H]3C4(C)C)CO2 ZINC000095910444 IJ Annotated Anodyne in-vitro biogenic C[C@]12CC[C@]3(C1)[C@@H](C[C@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@@]1(C)CO)C[C@H]2O ZINC000095910830 IJ Annotated Anodyne in-vitro biogenic CC[C@H](C)C(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)[C@@H]1OOC(C)(C)[C@@H]1O2 ZINC000095913430 IJ Annotated Reactive in-vitro biogenic CCCCCCCCCCCC[C@H](OC(C)=O)[C@@]1(OC(C)=O)C(=O)C=C[C@H]1OC(C)=O ZINC000095919096 IJ Annotated Mild in-vitro biogenic CC1=C2CC[C@@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)[C@@H](O)[C@]5(C)CC[C@]34C)[C@@H]2C[C@H](O)C1=O ZINC000095919250 IJ Annotated Mild in-vitro biogenic O=c1ncn(Cc2ccc(F)cc2F)c2ccc(Oc3ncccc3C(F)(F)F)cc12 ZINC000095920688 IJ Annotated Anodyne NC(=O)c1cc2c(-c3ccc(C(=O)NCc4ccnc(Cl)c4)s3)cccc2s1 ZINC000095920691 IJ Annotated Anodyne c1cc(-c2ccc(-c3cc4ccc(C5=NCCCN5)cc4[nH]3)cc2)ccc1C1=NCCCN1 ZINC000095920750 IJ Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2cscc2Br)C(=O)O)=N1 ZINC000095921046 IJ Annotated Anodyne CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C ZINC000096014869 IJ Annotated Anodyne COCCNC[C@@]12CO[C@H](c3ccc(Cl)cc3)N1[C@@H](c1ccc(Cl)cc1)SC2 ZINC000096018449 IJ Annotated Anodyne CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3ccc(Br)cc3)C2)O1 ZINC000096018800 IJ Annotated Anodyne CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(Cc3ccc(Br)cc3)C2)O1 ZINC000096018811 IJ Annotated Anodyne O=S1(=O)c2cc(Cl)ccc2N2CCC[C@@H]2CN1Cc1ccc(Cl)c(Cl)c1 ZINC000096021167 IJ Annotated Anodyne CC(C)C[C@H]1COc2cc(NCc3ccc(Cl)c(Cl)c3)ccc2S(=O)(=O)N1 ZINC000096021181 IJ Annotated Anodyne C=CCN1[C@@H](C)[C@H](c2ccccc2)Oc2cccc(N3CCC[C@H](C)C3)c2S1(=O)=O ZINC000096021199 IJ Annotated Anodyne C[C@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cccc(F)c2S1(=O)=O ZINC000096021267 IJ Annotated Anodyne Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NC2CCCCCCC2)c(C)n1CCC(C)C ZINC000096021667 IJ Annotated Reactive COc1cc(C/C=C\Cc2cc(O)c(Br)c(O)c2)c(O)cc1Br ZINC000096085380 IJ Annotated Anodyne in-vitro COc1c2c(cc3c1[C@@H]1Oc4cc(O)c(CCC(C)(C)O)cc4[C@@H]1CO3)OC(C)(C)CC2 ZINC000096086116 IJ Annotated Anodyne in-vitro CN1/C(=C\C=C\c2cc[n+](CCCS(=O)(=O)O)c3ccccc23)C(C)(C)c2ccccc21 ZINC000096094840 IJ Annotated Anodyne in-vitro N#Cc1sc(CCCNc2nc(-c3ccc(Cl)cc3Cl)cn3ccnc23)nc1N ZINC000096167595 IJ Annotated Mild O=C1OC[C@H](c2ccc(N3CCN(c4ccccc4)CC3)cc2)N1c1ccc2nc[nH]c2c1 ZINC000096168043 IJ Annotated Clean CC(C)c1ccc(C(=O)N2C[C@H]3C(=O)N(c4ccc(OC(F)(F)F)cc4)CC[C@H]3C2)cc1 ZINC000096169504 IJ Annotated Anodyne Fc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12 ZINC000096169775 IJ Annotated Anodyne CC(C)COc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12 ZINC000096169797 IJ Annotated Anodyne c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c(OCC2CC2)c1 ZINC000096169805 IJ Annotated Anodyne COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNC4)nc12 ZINC000096169840 IJ Annotated Anodyne CC(C)C[C@](C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccccc1)C(=O)O ZINC000096170065 IJ Annotated Anodyne CC(C)C[C@@](C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccccc1)C(=O)O ZINC000096170066 IJ Annotated Anodyne CC(C)(NC(=O)c1ccc2ccccc2c1OCCOc1ccc(F)c(Cl)c1)C(=O)O ZINC000096170067 IJ Annotated Anodyne N#C/N=C(/NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)Nc1ccccc1 ZINC000096170269 IJ Annotated Mild C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096170436 IJ Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@@H]1COCC[C@H]1NC1CCCC1 ZINC000096170640 IJ Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@@H]1COCC[C@H]1N[C@H](C)C1CC1 ZINC000096170660 IJ Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@H]1COCC[C@@H]1NC1CCCC1 ZINC000096170673 IJ Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@@H]1COCC[C@H]1N1CC[C@H]2C[C@H]21 ZINC000096172024 IJ Annotated Anodyne CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc4nc(-c5ccccc5)oc4n3)C2)cc1 ZINC000096172942 IJ Annotated Anodyne CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc4nc(-c5ccsc5)oc4n3)C2)cc1 ZINC000096172944 IJ Annotated Anodyne O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1cccc2[nH]ccc12 ZINC000096173076 IJ Annotated Anodyne Cn1ccc2c(CN3C(=O)CCCC34CCN(c3cnc5ccccc5n3)CC4)cccc21 ZINC000096173082 IJ Annotated Anodyne O=C1CCCC2(CCN(c3nnc(-c4ccccc4)o3)CC2)N1Cc1cccc2[nH]ccc12 ZINC000096173175 IJ Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccnc1 ZINC000096173971 IJ Annotated Anodyne Cc1cc(C(=O)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)no1 ZINC000096173979 IJ Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccncc1 ZINC000096173988 IJ Annotated Anodyne O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccco1 ZINC000096174030 IJ Annotated Anodyne COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCOCC4)cc3)n2)c1 ZINC000096174451 IJ Annotated Anodyne Cc1csc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC4CCN(C)CC4)cc3)n2)n1 ZINC000096174453 IJ Annotated Anodyne CCCS(=O)(=O)Cc1cc(F)cc(-c2nc(C3CC3)[nH]c2-c2ccncn2)c1Cl ZINC000096174601 IJ Annotated Anodyne F[C@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12 ZINC000096175055 IJ Annotated Anodyne F[C@H]1CNCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12 ZINC000096175056 IJ Annotated Anodyne F[C@@H]1CNCC[C@H]1Oc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12 ZINC000096175057 IJ Annotated Anodyne F[C@@H]1CNCC[C@@H]1Oc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12 ZINC000096175058 IJ Annotated Anodyne CC(C)(CNCC(F)(F)F)COc1cccc2ccc(-c3nnc4ccccn34)nc12 ZINC000096175128 IJ Annotated Anodyne CC(C)n1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@H]4CC[C@@H]3N4)ccc21 ZINC000096175258 IJ Annotated Anodyne CC(C)n1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@@H]4CC[C@H]3N4)ccc21 ZINC000096175259 IJ Annotated Anodyne CCCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@H]4CC[C@@H]3N4)ccc21 ZINC000096175264 IJ Annotated Anodyne CCCn1ccc2cc(S(=O)(=O)c3ccc4c(c3)c3c(n4C)C[C@@H]4CC[C@H]3N4)ccc21 ZINC000096175265 IJ Annotated Anodyne CC(C)N1[C@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccc5[nH]ccc5c4)cc13)C2 ZINC000096175294 IJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)cc(F)c31)[C@H]1CC[C@@H](C2)N1 ZINC000096175301 IJ Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4csc5ccccc45)cc(F)c31)[C@@H]1CC[C@H](C2)N1 ZINC000096175302 IJ Annotated Anodyne CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1cccc2c1OCO2 ZINC000096176415 IJ Annotated Mild CN(C)c1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176430 IJ Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)nc1 ZINC000096176453 IJ Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1cccc[n+]1[O-] ZINC000096176463 IJ Annotated Mild COc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)nc1 ZINC000096176467 IJ Annotated Mild CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3cccs3)cc2)[C@@H]1c1cccc[n+]1[O-] ZINC000096176471 IJ Annotated Mild COc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096176476 IJ Annotated Mild COc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176477 IJ Annotated Mild COc1ncccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)nc1 ZINC000096176481 IJ Annotated Mild COc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176544 IJ Annotated Mild COc1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096176692 IJ Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc2c(c1)cc(C)n2C ZINC000096176705 IJ Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cscn2)cc1 ZINC000096176767 IJ Annotated Mild COc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000096176808 IJ Annotated Mild COCc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2cc(C)on2)cc1 ZINC000096176809 IJ Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(SC)cc1 ZINC000096176826 IJ Annotated Mild CSc1ccc(N2C(=O)C(O)=C(C(=O)CC(C)C)[C@H]2c2ccccc2OCC#N)cc1 ZINC000096176862 IJ Annotated Mild CC(C)(C)c1n[nH]c2c1[C@H](c1cccc3c1OCO3)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096176955 IJ Annotated Anodyne CSc1ccc(N2C(=O)c3[nH]nc(C(C)(C)C)c3[C@H]2c2ccccc2OCCO)cc1 ZINC000096176961 IJ Annotated Anodyne CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C(C)(C)C)c3[C@@H]2c2ccccc2OC)cc1 ZINC000096177065 IJ Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1cccc[n+]1[O-])N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177082 IJ Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1CO)N(c1ccc(-c3ccon3)cc1)C2=O ZINC000096177121 IJ Annotated Anodyne COc1ccccc1[C@H]1c2c(C(F)(F)F)n[nH]c2C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096177156 IJ Annotated Anodyne CO/N=C(/C)c1ccc(N2C(=O)c3[nH]nc(C(C)(C)C)c3[C@@H]2c2ccccc2OC)cc1 ZINC000096177164 IJ Annotated Mild CC(C)(C)c1n[nH]c2c1[C@H](c1cccc[n+]1[O-])N(c1ccc(-c3cccs3)cc1)C2=O ZINC000096177172 IJ Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cc(C)no2)cc1 ZINC000096177199 IJ Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2nccs2)cc1 ZINC000096177201 IJ Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(Br)cc1 ZINC000096177217 IJ Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccco2)cc1 ZINC000096177222 IJ Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccoc2)cc1 ZINC000096177226 IJ Annotated Anodyne COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OC)N(CCCc2ccco2)C3=O)cc1 ZINC000096177238 IJ Annotated Anodyne CC(C)(CO)c1n[nH]c2c1[C@@H](c1ccccn1)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177241 IJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cn1 ZINC000096177267 IJ Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccoc2)cn1 ZINC000096177268 IJ Annotated Anodyne COc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cn1 ZINC000096177269 IJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccco2)cn1 ZINC000096177270 IJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)nc1 ZINC000096177275 IJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccoc2)nc1 ZINC000096177276 IJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cccs2)nc1 ZINC000096177277 IJ Annotated Anodyne COc1ncccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccco2)nc1 ZINC000096177278 IJ Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C1 ZINC000096177675 IJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2cccc(-c3c(F)cc(O)cc3F)n2)C1 ZINC000096177679 IJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1 ZINC000096177681 IJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2nc(-c3ccc(O)cc3F)ccc2F)C1 ZINC000096177682 IJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2nc(-c3cc(O)ccc3F)ccc2F)C1 ZINC000096177686 IJ Annotated Anodyne C[C@@H]1C[C@H](N)C[C@H](c2ccncc2CC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C1 ZINC000096177689 IJ Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2cccc(-c3cc(F)cc(F)c3F)n2)C1 ZINC000096177691 IJ Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3cccc(F)c3F)n2)C1 ZINC000096177720 IJ Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2F)C1 ZINC000096177721 IJ Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3cc(F)ccc3F)n2)C1 ZINC000096177722 IJ Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3ccc(F)cc3F)n2)C1 ZINC000096177723 IJ Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1 ZINC000096177742 IJ Annotated Anodyne Nc1cc(F)c(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1[C@@H]1CCC[C@H](N)C1 ZINC000096177743 IJ Annotated Anodyne C[C@H]1CC(c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2N)=C[C@@H](O)C1 ZINC000096177748 IJ Annotated Anodyne C[C@@H]1CC(c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2N)=C[C@@H](O)C1 ZINC000096177749 IJ Annotated Anodyne C[C@H]1CC(c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2N)=C[C@H](O)C1 ZINC000096177750 IJ Annotated Anodyne C[C@@H]1CC(c2ccncc2CC(=O)c2nc(-c3c(F)cccc3F)ccc2N)=C[C@H](O)C1 ZINC000096177751 IJ Annotated Anodyne N[C@H]1CCC[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3c(F)ccc(O)c3F)n2)C1 ZINC000096177771 IJ Annotated Anodyne COCCn1[nH]c2c(COc3ccc(-c4cc(F)c(F)cc4F)cc3)cccc2c1=O ZINC000096269829 IJ Annotated Anodyne CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(C)c2Sc2ccc(Cl)cn2)cc1 ZINC000096270408 IJ Annotated Anodyne CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(CCF)c2Sc2ccc(Cl)cn2)cc1 ZINC000096270409 IJ Annotated Anodyne Cc1nc(-c2ccc([C@H]3C[C@@H]3C(=O)N(C)C)cc2)c(Sc2ccc(Cl)cn2)n1C ZINC000096270413 IJ Annotated Anodyne CCN(CC)Cc1ccc2[nH]c(-c3n[nH]cc3Nc3cc(Cl)nc(SC)n3)nc2c1 ZINC000096271627 IJ Annotated Anodyne CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 ZINC000096272234 IJ Annotated Anodyne O=C(O)c1cc2ccc(-n3c(S)nnc3-c3cccc(Br)c3)cc2s1 ZINC000096273194 IJ Annotated Anodyne Cc1ccccc1[C@@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(Br)cc1 ZINC000096273730 IJ Annotated Mild Cc1ccccc1[C@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(Br)cc1 ZINC000096273731 IJ Annotated Mild OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 ZINC000096274020 IJ Annotated Anodyne Nc1c2c(nc3c1[C@@H](c1ccc4c(c1)OCO4)c1c(c4ccccc4oc1=O)O3)CCCC2 ZINC000096284156 IJ Annotated Anodyne Nc1c2c(nc3c1[C@H](c1ccc4c(c1)OCO4)c1c(c4ccccc4oc1=O)O3)CCCC2 ZINC000096284157 IJ Annotated Anodyne Cc1nc2c(o1)CCN(C(=O)Cn1cc(-c3ccc(F)c(C)c3)nc1-c1ccccc1)C2 ZINC000096284544 IJ Annotated Anodyne CCOc1c2c(c(CSc3nc(C)cc(C)c3C#N)c(OCC)c1OCC)C(=O)OC2 ZINC000096336496 IJ Annotated Mild CCn1c(=O)n([C@@H]2CCN(CC3CCCCCCCCC3)C[C@H]2CO)c2ccccc21 ZINC000096903384 IJ Annotated Anodyne CS(=O)(=O)NCCCCN1c2ccc(Cl)cc2Sc2cc3ccccc3nc21 ZINC000096905909 IJ Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2ccc(F)cc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000096906437 IJ Annotated Anodyne C[C@@H]1c2c[nH]nc2-c2cc(F)c(F)cc2N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000096906442 IJ Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@]4(CC(c5c(Cl)cccc5Cl)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906631 IJ Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(CC(c5c(Cl)cccc5Cl)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906632 IJ Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(CC(c5ccc(Cl)cc5Cl)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906635 IJ Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(CC(c5ccc(Cl)cc5Cl)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906636 IJ Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(CC(c5cc(Cl)ccc5Cl)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906651 IJ Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(CC(c5cc(Cl)ccc5Cl)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906652 IJ Annotated Mild CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21 ZINC000096907007 IJ Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(C4CC4)ccc3n2C2CCC2)nc1 ZINC000096907016 IJ Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)ccc3n2C2CCC2)nc1 ZINC000096907018 IJ Annotated Mild CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C(F)F)cc3n2C2CCC2)nc1 ZINC000096907048 IJ Annotated Mild COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC(=O)N(C)C)c1ccccc1-2 ZINC000096907772 IJ Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@](C)(OC(=O)N(C)C)c1ccccc1-2 ZINC000096907773 IJ Annotated Anodyne CNCCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000096908076 IJ Annotated Anodyne O=C(CSc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1)Nc1ccc(Cl)cn1 ZINC000096908532 IJ Annotated Anodyne CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1 ZINC000096908659 IJ Annotated Mild CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC)cc1 ZINC000096908664 IJ Annotated Mild CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21 ZINC000096908665 IJ Annotated Mild CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC(F)F)cc21 ZINC000096908666 IJ Annotated Mild CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2cscc2Br)C(=O)O)=N1 ZINC000096908786 IJ Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccsc2Br)C(=O)O)=N1 ZINC000096908787 IJ Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2ccsc2Br)C(=O)O)=N1 ZINC000096908788 IJ Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2sccc2Br)C(=O)O)=N1 ZINC000096908789 IJ Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2sccc2Br)C(=O)O)=N1 ZINC000096908790 IJ Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2cscc2-c2ccncc2)C(=O)O)=N1 ZINC000096908791 IJ Annotated Anodyne CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2cscc2-c2ccncc2)C(=O)O)=N1 ZINC000096908792 IJ Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(Cl)cn2)c1 ZINC000096909846 IJ Annotated Anodyne Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc([C@H]3NC(=O)c4ccccc4N3)cc2)n1 ZINC000096909916 IJ Annotated Anodyne Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc([C@@H]3NC(=O)c4ccccc4N3)cc2)n1 ZINC000096909917 IJ Annotated Anodyne Nc1nc(-c2ccc([C@H]3NC(=O)c4ccccc4N3)cc2)cc(-c2ccccc2Cl)n1 ZINC000096909920 IJ Annotated Anodyne Nc1nc(-c2ccc([C@@H]3NC(=O)c4ccccc4N3)cc2)cc(-c2ccccc2Cl)n1 ZINC000096909921 IJ Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCOc1cc(C(F)(F)F)nc2ccc(F)cc12 ZINC000096909958 IJ Annotated Anodyne O=c1nc(-c2ccccc2)c2oc3ccc(Cl)cc3c2n1CCN1CCC(F)(F)C1 ZINC000096909997 IJ Annotated Anodyne CCCCc1ccc(C(=O)N[C@H](CN2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)cc1 ZINC000096910130 IJ Annotated Anodyne CC1=C[C@@H](C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)[C@H]([C@@H]2O[C@H]2C)[C@H]2C[C@@H](C)CC[C@H]12 ZINC000096910172 IJ Annotated Anodyne CC1=C[C@@H](C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)[C@H]([C@@H]2O[C@@H]2C)[C@H]2C[C@@H](C)CC[C@H]12 ZINC000096910173 IJ Annotated Anodyne C/C=C/[C@H]1[C@@H]2C(=O)c3c(ncc(-c4ccc(O)cc4)c3O)O[C@@H]2[C@@](C)(O)[C@H]2CC[C@H](C)C[C@H]12 ZINC000096910174 IJ Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3ccc3[nH]ccc43)[nH]c2c(OC)c1OC ZINC000096913705 IJ Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3ccc3[nH]ccc43)[nH]c2c(OC)c1OC ZINC000096913706 IJ Annotated Reactive O=S(=O)(Nc1ccccn1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000096914482 IJ Annotated Anodyne Cc1ccc2c(c1)C[C@H]1CN(Cc3csc(N)c3C(=O)c3ccc(Cl)cc3)CCN21 ZINC000096914665 IJ Annotated Anodyne Cc1ccc2c(c1)C[C@@H]1CN(Cc3csc(N)c3C(=O)c3ccc(Cl)cc3)CCN21 ZINC000096914666 IJ Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)CC[C@]23[C@H](C[C@H](O)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000096914961 IJ Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)CC[C@]23[C@H](C[C@@H](O)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000096914962 IJ Annotated Mild COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OC(=O)c2ccccc2)c1 ZINC000096915038 IJ Annotated Anodyne CC(C)(C)c1ccc(-c2cc(C(=O)NCCO)cc(-c3cnc4ccccc4n3)c2)cc1 ZINC000096915138 IJ Annotated Anodyne Cn1c(=O)c2c(-c3ccccc3)nc(-c3ccc[n+](Cc4ccccc4)c3)n2c2ccccc21 ZINC000096916682 IJ Annotated Anodyne CC(C)(C)c1cc(/C=C(/C(=O)O)c2cc(O)c(O)cc2C(=O)O)cc(C(C)(C)C)c1O ZINC000096921733 IJ Annotated Clean N#Cc1cccc(-c2c(C(=O)c3ccc(OCc4ccccc4)cc3)[nH]c3ncnc(N)c23)c1 ZINC000096921765 IJ Annotated Mild COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OC(=O)CC(C)C)c(OC)c2)cc1OC ZINC000096922514 IJ Annotated Anodyne Cc1ccc(Cn2cc(CO/N=C/c3c(-c4ccccc4)nc4c(C)cccn34)nn2)cc1 ZINC000096922593 IJ Annotated Mild O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1C1CCCCC1)NC1CCCCC1 ZINC000096922817 IJ Annotated Anodyne CC(C)(C)CCNC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 ZINC000096922834 IJ Annotated Anodyne CC[C@@H](C)CCNC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 ZINC000096922835 IJ Annotated Anodyne CC[C@H](C)CCNC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1 ZINC000096922836 IJ Annotated Anodyne COc1ccc(Cn2cnc(=O)c3cc(Oc4ncccc4C(F)(F)F)ccc32)cc1 ZINC000096923009 IJ Annotated Anodyne O=c1ncn(Cc2ccc(F)c(F)c2)c2ccc(Oc3ncccc3C(F)(F)F)cc12 ZINC000096923014 IJ Annotated Anodyne O=c1ncn(Cc2cc(F)cc(F)c2)c2ccc(Oc3ncccc3C(F)(F)F)cc12 ZINC000096923015 IJ Annotated Anodyne O=c1ncn(Cc2c(F)cccc2F)c2ccc(Oc3ncccc3C(F)(F)F)cc12 ZINC000096923020 IJ Annotated Anodyne CC(C)(O)CCC[C@@]1(C)CCc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)O1 ZINC000096923988 IJ Annotated Clean CC(C)(O)CCC[C@]1(C)CCc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)O1 ZINC000096923989 IJ Annotated Clean CCOC(=O)C1=C(C(=O)OCC)N(c2ccc(Cl)cc2)CN(c2ccc(Cl)cc2)C1 ZINC000096927605 IJ Annotated Anodyne O=c1ncn(Cc2ccc(F)cc2F)c2ccc(Oc3cccnc3C(F)(F)F)cc12 ZINC000096927618 IJ Annotated Anodyne O=c1ncn(Cc2ccc(F)cc2F)c2ccc(Oc3ccncc3C(F)(F)F)cc12 ZINC000096927619 IJ Annotated Anodyne O=c1ncn(Cc2ccc(F)cc2F)c2ccc(Oc3ncccc3Br)cc12 ZINC000096927620 IJ Annotated Anodyne C=Cc1ccc(CSc2nnc(CSc3nc4nc(C)cc(C)n4n3)s2)cc1 ZINC000096928625 IJ Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4cccc(Cl)c4)s3)nc2n1 ZINC000096928630 IJ Annotated Anodyne N#CC(C(=O)c1ccc(Cl)nc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096929983 IJ Annotated Unstable CC(C)OC(=O)C(C(=O)C(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096929998 IJ Annotated Unstable COc1ccc(/C=N/Nc2nc(S)nc(-c3ccc(Br)cc3)c2C#N)cc1 ZINC000096932374 IJ Annotated Mild N#Cc1c(N/N=C/c2ccc(Br)cc2)nc(S)nc1-c1ccc(F)cc1 ZINC000096932743 IJ Annotated Mild COCCNCc1c(-c2nnc(SC(C)C)n2-c2ccccc2)n(C)c2ccccc12 ZINC000096933314 IJ Annotated Anodyne CC(C)Sc1nnc(-c2c(CN3CCOCC3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933324 IJ Annotated Anodyne N#Cc1c(N/N=C/c2ccc(F)cc2)nc(S)nc1-c1ccc(Br)cc1 ZINC000096933717 IJ Annotated Mild COc1ccc([C@H]2O[C@]34C[C@@H](c5ccc(C(F)(F)F)cc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934049 IJ Annotated Reactive COc1ccc([C@H]2O[C@]34C[C@H](c5ccc(C(F)(F)F)cc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934050 IJ Annotated Reactive COc1ccc([C@@H]2O[C@]34C[C@@H](c5ccc(C(F)(F)F)cc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934051 IJ Annotated Reactive COc1ccc([C@@H]2O[C@]34C[C@H](c5ccc(C(F)(F)F)cc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934052 IJ Annotated Reactive O=S(=O)(O)Oc1cc2[nH]c3ccc4c5ccc(Br)cc5[nH]c4c3c2cc1O ZINC000096934375 IJ Annotated Bother CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccc1)=C2c1ccc(O)c2ncccc12 ZINC000096934481 IJ Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccc1)=C2c1ccc(O)c2ncccc12 ZINC000096934482 IJ Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccc1)=C2c1ccc(O)c2ncccc12 ZINC000096934483 IJ Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccc1)=C2c1ccc(O)c2ncccc12 ZINC000096934484 IJ Annotated Clean CCCCc1ccc(-c2cn([C@@H]3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934580 IJ Annotated Mild CCCCc1ccc(-c2cn([C@H]3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934581 IJ Annotated Mild CCCCCc1ccc(-c2cn([C@@H]3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934582 IJ Annotated Mild CCCCCc1ccc(-c2cn([C@H]3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934583 IJ Annotated Mild CCOc1nc2c3c(ncc(Br)c3c1Br)-c1ccccc1C2=O ZINC000096934748 IJ Annotated Anodyne COc1ccc(/C=N/Nc2nnc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n2)cc1 ZINC000096935212 IJ Annotated Mild COc1ccc(-c2nnc(N/N=C/c3ccc(F)cc3)nc2-c2ccc(OC)cc2)cc1 ZINC000096935214 IJ Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n(C[C@H](O)CCl)c1=O ZINC000096935451 IJ Annotated Reactive N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n(C[C@@H](O)CCl)c1=O ZINC000096935452 IJ Annotated Reactive COC(=O)c1cccc2c1NC(=O)[C@]2(c1ccc(OC)cc1)c1cc(C(C)(C)C)ccc1O ZINC000096937516 IJ Annotated Anodyne COC(=O)c1cccc2c1NC(=O)[C@@]2(c1ccc(OC)cc1)c1cc(C(C)(C)C)ccc1O ZINC000096937517 IJ Annotated Anodyne CO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2sc(-c3ccccc3)nc2C)c1 ZINC000096937911 IJ Annotated Mild O=C(Cc1ccccc1)O[C@H]1C(=O)C=CN(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1 ZINC000096938188 IJ Annotated Mild COc1ccc(/N=C2\NC[C@]3(S2)c2ccccc2N(C(=O)OC(C)(C)C)[C@@H]3OC)cc1 ZINC000096938409 IJ Annotated Mild CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccc(C)cc1)S2 ZINC000096938410 IJ Annotated Mild CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccc(C)cc1)S2 ZINC000096938411 IJ Annotated Mild CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(N(C)c1ccccc1)S2 ZINC000096938416 IJ Annotated Anodyne CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(N(C)c1ccccc1)S2 ZINC000096938417 IJ Annotated Anodyne CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccc(F)cc1)S2 ZINC000096938462 IJ Annotated Mild CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1ccc(F)cc1)S2 ZINC000096938463 IJ Annotated Mild O=C1N(Cc2ccc(Cl)cc2Cl)c2cccn2S(=O)(=O)N1Cc1ccccc1 ZINC000096938787 IJ Annotated Anodyne CCN(CC)C[C@H](O)CN(Cc1ccc(Cl)cc1)Cc1cc2ccccc2nc1OC ZINC000096939079 IJ Annotated Anodyne CCN(CC)C[C@@H](O)CN(Cc1ccc(Cl)cc1)Cc1cc2ccccc2nc1OC ZINC000096939080 IJ Annotated Anodyne COc1ccccc1OCCN(C)C[C@H](COc1cccc2c1c1ccccc1n2C)OC ZINC000096939432 IJ Annotated Anodyne COc1ccccc1OCCN(C)C[C@@H](COc1cccc2c1c1ccccc1n2C)OC ZINC000096939433 IJ Annotated Anodyne COc1ccccc1OCCNC[C@H](O)CCCOc1ccc2[nH]c3ccccc3c2c1 ZINC000096939488 IJ Annotated Anodyne COc1ccccc1OCCNC[C@@H](O)CCCOc1ccc2[nH]c3ccccc3c2c1 ZINC000096939490 IJ Annotated Anodyne COc1ccccc1OCCNC[C@H](O)CCCCOc1ccc2[nH]c3ccccc3c2c1 ZINC000096939494 IJ Annotated Anodyne COc1ccccc1OCCNC[C@@H](O)CCCCOc1ccc2[nH]c3ccccc3c2c1 ZINC000096939496 IJ Annotated Anodyne COc1ccccc1OCCN1C[C@H](CCOc2ccc3c(c2)[nH]c2ccccc23)OC1=O ZINC000096939543 IJ Annotated Anodyne COc1ccccc1OCCN1C[C@@H](CCOc2ccc3c(c2)[nH]c2ccccc23)OC1=O ZINC000096939547 IJ Annotated Anodyne O=C(NC1CCCCC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000096939879 IJ Annotated Bother COc1ccc(CSc2nc(O)c(C)c(C(=O)c3cccc(Br)c3)n2)cc1 ZINC000096939921 IJ Annotated Anodyne COc1ccc(CSc2nc(O)c(C)c(C(=O)c3ccc(Br)cc3)n2)cc1 ZINC000096939923 IJ Annotated Anodyne O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2ccncc2)cc1 ZINC000096940047 IJ Annotated Anodyne O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(-c2cccnc2)cc1 ZINC000096940052 IJ Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1 ZINC000096940077 IJ Annotated Anodyne Cc1cc2oc(=O)cc(-c3cccnc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1 ZINC000096940132 IJ Annotated Anodyne CCN(CC)CCC[C@H](C)N[C@@H]1c2ccccc2N(C(=O)c2ccc(C)cc2)[C@H](C)[C@@H]1O ZINC000096941847 IJ Annotated Anodyne CCSc1nc(-c2cc(OC)c(OC)c(OC)c2)c(-c2cccc(OC)c2OC)[nH]1 ZINC000096942031 IJ Annotated Anodyne COc1ccc(Oc2nc3ccccc3cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 ZINC000098081862 IJ Annotated Reactive COc1ccc(Oc2nc3ccccc3cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 ZINC000098081863 IJ Annotated Reactive Nc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000098081900 IJ Annotated Bother COc1ccc(-c2csc(/N=C3\NC(=O)/C(=C/c4ccc([N+](=O)[O-])s4)S3)n2)cc1 ZINC000098082399 IJ Annotated Mild Cc1nc(-c2ccc(CCN3CCN(c4cnc5ccccc5n4)CC3)cc2)c(C)s1 ZINC000098082828 IJ Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccccc3O2)cc([N+](=O)[O-])c1OC(=O)Nc1ccccc1 ZINC000098083384 IJ Annotated Bother COc1cc([C@H]2CC(=O)c3ccccc3O2)cc([N+](=O)[O-])c1OC(=O)Nc1ccccc1 ZINC000098083385 IJ Annotated Bother N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2nc1Oc1ccc(F)cc1 ZINC000098084008 IJ Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2nc1Oc1ccc(F)cc1 ZINC000098084009 IJ Annotated Reactive COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 ZINC000098084259 IJ Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2cccc(Cl)c2)cc1 ZINC000098084260 IJ Annotated Reactive O=[N+]([O-])c1ccc(-c2nn3c(Nc4nc5ccc(Cl)cc5s4)nnc3s2)cc1 ZINC000098084336 IJ Annotated Bother CC(=O)Nc1ccc(OC(=O)c2ccccc2N(CCO[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000098084372 IJ Annotated Anodyne O=C1/C(=C/c2cccc(Br)c2)CNC/C1=C\c1cccc(Br)c1 ZINC000098084558 IJ Annotated Mild COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4nnc(C)n4C=N[C@H]32)cc1 ZINC000098084934 IJ Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3c4nnc(C)n4C=N[C@@H]32)cc1 ZINC000098084935 IJ Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4nnc(C)n4C=N[C@H]32)cc1 ZINC000098084936 IJ Annotated Anodyne COc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3c4nnc(C)n4C=N[C@@H]32)cc1 ZINC000098084937 IJ Annotated Anodyne Fc1ccc(-n2cc(Cn3c4ccc(F)cc4c4nc5ccccc5nc43)nn2)c(F)c1 ZINC000098085200 IJ Annotated Bother COc1cc(OC)c(C2=CCN(C)CC2)c(OC)c1/C=C/C(=O)c1ccc(F)c(F)c1 ZINC000098085347 IJ Annotated Mild