Cc1ccc(S(=O)(=O)/N=C2/S/C(=C3/C(O)=Nc4ccc(Br)cc43)C(=O)N2C)cc1 ZINC000001062356 JI Agent Mild COc1ccc2ccccc2c1[C@@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n21 ZINC000001065008 JI Agent Anodyne CN(C)c1ccc(-c2cc[n+](-c3nc4ccccc4nc3NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000001088544 JI Agent Anodyne NC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)S2)CC1 ZINC000001164359 JI Agent Clean CCc1nnsc1C(=O)OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000010021658 JI Agent Anodyne CCc1nnsc1C(=O)OCC(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000010021659 JI Agent Anodyne CCOc1cc(/C=N/n2c(CC)nc3ccccc3c2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000010038190 JI Agent Mild CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)c1C ZINC000010058310 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccccc3Cl)nnc12 ZINC000010058651 JI Agent Anodyne CCOc1ccc(CN(C)C(=O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)cc1 ZINC000010058671 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cccc(Cl)c3)nnc12 ZINC000010058675 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)nnc12 ZINC000010058768 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC(F)(F)F)[C@H](C)C3CC3)nnc12 ZINC000010058769 JI Agent Anodyne COc1cc(/C=C/C(=O)OCc2ncc(Cl)n2C)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000010125517 JI Agent Anodyne Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)CCC(C)C)nnc12 ZINC000010144525 JI Agent Anodyne Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)CCC(C)C)nnc12 ZINC000010144526 JI Agent Anodyne O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000010215148 JI Agent Anodyne CCc1cccc2c(C(=O)CSc3nnc4n(CCCOC)c(=O)c5ccccc5n34)c[nH]c12 ZINC000010266260 JI Agent Anodyne CCOC(=O)C(=N/N=C1\NC(C)(C)Cc2ccccc21)/C(C)=N\N=C1/NC(C)(C)Cc2ccccc21 ZINC000100206607 JI Agent Mild CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2F)N2C(CC(=O)NC[C@H]3CCCO3)=CSC2=N1 ZINC000100940093 JI Agent Anodyne CCCCCCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccco3)C(=S)NCC)C2=O)cc1 ZINC000103623865 JI Agent Anodyne CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n3c(COC(=O)c4ccco4)nnc23)cc1 ZINC000010532280 JI Agent Anodyne COc1cccc(-n2c(=O)c3ccccc3n3c(SCc4ccc(C#N)cc4F)nnc23)c1 ZINC000010621758 JI Agent Mild COc1ccccc1N(CC(=O)NCc1ccc(C)c(F)c1)S(=O)(=O)/C=C/c1ccccc1 ZINC000010849189 JI Agent Anodyne COc1ccccc1N(CC(=O)Nc1cc(F)cc(F)c1)S(=O)(=O)/C=C/c1ccccc1 ZINC000010849198 JI Agent Anodyne CCOc1c(Br)cc(Cl)cc1NCc1nnc2n(C)c(=O)c3ccccc3n12 ZINC000010945226 JI Agent Anodyne CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000010979226 JI Agent Anodyne CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000010979227 JI Agent Anodyne COc1cc(/C=C/C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc(OC)c1OC ZINC000011149193 JI Agent Mild CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2c(=O)n(-c3ccccc3F)c(=S)[nH]c2c1 ZINC000011594167 JI Agent Anodyne Cc1ccc(S(=O)(=O)Nc2ccc3oc(-c4ccccc4)c(C(=O)NO)c3c2)cc1[N+](=O)[O-] ZINC000011615763 JI Agent Bother CCO[C@@H]1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O ZINC000011615996 JI Agent Anodyne COc1cc2c(=O)[nH]c3c(C(=O)OC4CCCCC4)c4nc5ccccc5nc4n3c2cc1OC ZINC000011692063 JI Agent Bother O=C(O)c1ccc(-n2nnc(S(=O)(=O)c3ccccc3)c2-c2ccc(Br)cc2)cc1 ZINC000011730433 JI Agent Anodyne O=C(O)c1cccc(-n2nnc(S(=O)(=O)c3ccccc3)c2-c2ccc(Br)cc2)c1 ZINC000011730435 JI Agent Anodyne CCc1ccc(S(=O)(=O)c2nnn(-c3cccc(C(=O)O)c3)c2-c2ccc(F)cc2)cc1 ZINC000011730500 JI Agent Anodyne CCc1ccc(S(=O)(=O)c2nnn(-c3ccc(C(=O)O)cc3)c2-c2ccc(F)cc2)cc1 ZINC000011730501 JI Agent Anodyne CCOc1ccc(S(=O)(=O)c2nnn(-c3cccc(C(=O)O)c3)c2-c2ccc(F)cc2)cc1 ZINC000011730566 JI Agent Anodyne CCOc1ccc(S(=O)(=O)c2nnn(-c3ccc(C(=O)O)cc3)c2-c2ccc(F)cc2)cc1 ZINC000011730567 JI Agent Anodyne O=C(O)c1ccc(-n2nnc(S(=O)(=O)c3ccc(F)cc3)c2-c2ccc(Cl)cc2)cc1 ZINC000011730597 JI Agent Anodyne O=C(O)c1cccc(-n2nnc(S(=O)(=O)c3ccc(F)cc3)c2-c2ccc(Cl)cc2)c1 ZINC000011730601 JI Agent Anodyne O=C(O)c1cccc(-n2nnc(S(=O)(=O)c3ccc(Cl)cc3)c2-c2ccc(F)cc2)c1 ZINC000011730632 JI Agent Anodyne O=C(O)c1ccc(-n2nnc(S(=O)(=O)c3ccc(Cl)cc3)c2-c2ccc(F)cc2)cc1 ZINC000011730633 JI Agent Anodyne Nc1ccc(-n2nnc(S(=O)(=O)c3ccc(Br)cc3)c2-c2ccccc2)cc1 ZINC000011730656 JI Agent Clean Nc1ccc(-n2nnc(S(=O)(=O)c3ccc(Br)cc3)c2-c2ccc(F)cc2)cc1 ZINC000011730658 JI Agent Clean O=C(O)c1ccc(-n2nnc(S(=O)(=O)c3ccc(Br)cc3)c2-c2ccccc2)cc1 ZINC000011730660 JI Agent Anodyne O=C(O)c1cccc(-n2nnc(S(=O)(=O)c3ccc(Br)cc3)c2-c2ccccc2)c1 ZINC000011730662 JI Agent Anodyne Cc1ccc(-c2c(S(=O)(=O)c3cccc(Cl)c3)nnn2-c2ccc(C(=O)O)cc2)cc1 ZINC000011730694 JI Agent Anodyne O=C(O)c1cccc(-n2nnc(S(=O)(=O)c3cccc(Cl)c3)c2-c2ccc(F)cc2)c1 ZINC000011730698 JI Agent Anodyne O=C(O)c1ccc(-n2nnc(S(=O)(=O)c3cccc(Cl)c3)c2-c2ccc(F)cc2)cc1 ZINC000011730699 JI Agent Anodyne Nc1ccc(-n2nnc(S(=O)(=O)c3cccc(Br)c3)c2-c2ccccc2)cc1 ZINC000011730723 JI Agent Clean Cc1ccc(-c2c(S(=O)(=O)c3cccc(Br)c3)nnn2-c2ccc(N)cc2)cc1 ZINC000011730724 JI Agent Clean Nc1ccc(-n2nnc(S(=O)(=O)c3cccc(Br)c3)c2-c2ccc(F)cc2)cc1 ZINC000011730725 JI Agent Clean O=C(O)c1ccc(-n2nnc(S(=O)(=O)c3cccc(Br)c3)c2-c2ccccc2)cc1 ZINC000011730727 JI Agent Anodyne Nc1ccc(-n2nnc(S(=O)(=O)c3ccccc3Br)c2-c2ccccc2)cc1 ZINC000011730779 JI Agent Clean Cc1ccc(-c2c(S(=O)(=O)c3ccccc3Br)nnn2-c2ccc(N)cc2)cc1 ZINC000011730780 JI Agent Clean Nc1ccc(-n2nnc(S(=O)(=O)c3ccccc3Br)c2-c2ccc(F)cc2)cc1 ZINC000011730781 JI Agent Clean Cc1ccc(-c2c(S(=O)(=O)c3ccccc3Cl)nnn2-c2ccc(C(=O)O)cc2)cc1 ZINC000011759021 JI Agent Anodyne O=C(O)c1cccc(-n2nnc(S(=O)(=O)c3ccccc3Cl)c2-c2ccc(F)cc2)c1 ZINC000011759039 JI Agent Anodyne O=C(O)c1ccc(-n2nnc(S(=O)(=O)c3ccccc3Cl)c2-c2ccc(F)cc2)cc1 ZINC000011759045 JI Agent Anodyne O=C(O)c1ccc(-n2nnc(S(=O)(=O)c3ccccc3Br)c2-c2ccccc2)cc1 ZINC000011759199 JI Agent Anodyne O=C(O)c1cccc(-n2nnc(S(=O)(=O)c3ccccc3Br)c2-c2ccccc2)c1 ZINC000011759214 JI Agent Anodyne Cc1ccc(S(=O)(=O)c2nnn(-c3cccc(C(=O)O)c3)c2-c2ccc(F)cc2)cc1C ZINC000011759424 JI Agent Anodyne Cc1ccc(S(=O)(=O)c2nnn(-c3ccc(C(=O)O)cc3)c2-c2ccc(F)cc2)cc1C ZINC000011759428 JI Agent Anodyne COc1cccc(S(=O)(=O)c2nnn(-c3ccc(C(=O)O)cc3)c2-c2ccc(Cl)cc2)c1 ZINC000011760379 JI Agent Anodyne CC(C)[C@@H](NC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000011897499 JI Agent Anodyne CC(C)[C@H](NC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000011897500 JI Agent Anodyne C=CC/N=C1\S/C(=C2/C=Cc3ccccc3N2C)C(=O)N1S(=O)(=O)c1ccc(C)cc1 ZINC000012039829 JI Agent Mild CCCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)nnc12 ZINC000012047065 JI Agent Anodyne C=CC/N=C1/S/C(=C2/Sc3ccccc3N2CC)C(=O)N1S(=O)(=O)c1ccccc1 ZINC000012139443 JI Agent Mild CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)/C=C/c1cc2cccc(OC)c2o1 ZINC000012256372 JI Agent Anodyne COc1cc(/C=C/C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)ccc1OCC#N ZINC000012258912 JI Agent Mild O=C1C=C/C(=N\S(=O)(=O)c2cc(Br)ccc2Br)c2ccccc21 ZINC000012291454 JI Agent Mild Cc1ccc(S(=O)(=O)N/N=C/c2c(C)c(C(=O)c3ccc(F)cc3)n3ccccc23)cc1[N+](=O)[O-] ZINC000012312159 JI Agent Mild CC(C)c1nc2ccccc2c(=O)n1/N=C/c1ccccc1OC(=O)c1ccc2c(c1)OCO2 ZINC000012318635 JI Agent Mild C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC(=O)c2ccc(Br)o2)cc1 ZINC000012366856 JI Agent Mild C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012366857 JI Agent Mild CCNc1nc(NCC)n2c(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)nnc2n1 ZINC000012377875 JI Agent Clean CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)o2)n2c(sc(=Cc3ccc(Cl)cc3)c2=O)=N1 ZINC000012378035 JI Agent Anodyne CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C\c1ccc(OC(=O)c2cccs2)cc1 ZINC000012412750 JI Agent Clean O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)N1CCN(c2ccc(F)cc2)CC1 ZINC000012481911 JI Agent Anodyne CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2cc(Br)ccc2oc1=O ZINC000012500408 JI Agent Clean COc1cc(OC)cc([C@@H](NC(=O)/C=C/c2ccccc2Br)c2nccn2C)c1 ZINC000012507669 JI Agent Anodyne COc1cc(OC)cc([C@H](NC(=O)/C=C/c2ccccc2Br)c2nccn2C)c1 ZINC000012507670 JI Agent Anodyne CCCCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)N3C[C@@H](C)C[C@@H](C)C3)nnc12 ZINC000012510115 JI Agent Anodyne CCCCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)N3C[C@@H](C)C[C@@H](C)C3)nnc12 ZINC000012510120 JI Agent Anodyne CCc1ccc(OC[C@@H](O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)cc1 ZINC000012513754 JI Agent Anodyne CCc1ccc(OC[C@H](O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)cc1 ZINC000012513763 JI Agent Anodyne N#CCCn1cc(/C=C/C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c2ccccc21 ZINC000012517371 JI Agent Mild Cc1ccc(-n2c(=O)c3ccccc3n3c(SCCn4c(=O)oc5ccccc54)nnc23)c(C)c1 ZINC000012521508 JI Agent Anodyne Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCCn3c(=O)oc4ccccc43)nnc12 ZINC000012521511 JI Agent Anodyne CCOc1ccc(C(=O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)cc1 ZINC000012521635 JI Agent Anodyne CN1/C(=C(/C#N)C(=O)COC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)Sc2ccccc21 ZINC000012524920 JI Agent Reactive COc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)nnc23)cc1 ZINC000012526668 JI Agent Anodyne COc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)nnc23)cc1 ZINC000012526670 JI Agent Anodyne COc1cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCCC(C)C ZINC000012528733 JI Agent Reactive Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000012532956 JI Agent Anodyne COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)/C2=C\c1ccc(N2CCOCC2)cc1 ZINC000012533177 JI Agent Clean CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000012534170 JI Agent Clean COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)N1CCOCC1 ZINC000012537826 JI Agent Reactive CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000012538536 JI Agent Anodyne CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000012542252 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(SCCS(=O)(=O)c3ccc(Cl)cc3)nnc12 ZINC000012545435 JI Agent Anodyne N#C/C(C(=O)COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)=C1/Nc2ccccc2S1 ZINC000012546659 JI Agent Reactive COc1cc(OC)cc([C@@H](NC(=O)/C=C/c2cc(C)n(Cc3ccco3)c2C)c2nccn2C)c1 ZINC000012549847 JI Agent Anodyne COc1cc(OC)cc([C@H](NC(=O)/C=C/c2cc(C)n(Cc3ccco3)c2C)c2nccn2C)c1 ZINC000012549848 JI Agent Anodyne CCc1ccc(/C=C(\Cl)c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)cc1 ZINC000012551892 JI Agent Anodyne CCn1c(/C(Cl)=C/c2ccc(F)c(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012551895 JI Agent Anodyne CCCn1c(/C(Cl)=C/c2ccc(C#N)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012551929 JI Agent Mild C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)Cc3ccccc3Br)nc12 ZINC000012552738 JI Agent Mild C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)Cc3ccc(C(F)(F)F)cc3)nc12 ZINC000012552740 JI Agent Mild O=C(CSc1nnc2ccccn12)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000012552791 JI Agent Anodyne CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 ZINC000012553518 JI Agent Clean CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)cc1 ZINC000012554398 JI Agent Mild CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)cc1 ZINC000012554400 JI Agent Mild C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CCC(C(C)(C)CC)CC3)nnc12 ZINC000012554412 JI Agent Mild COc1cccc(Cn2nc(C)c(/C=C/C(=O)N(C)Cc3ccccc3N3CCOCC3)c2Cl)c1 ZINC000012554510 JI Agent Anodyne CCCn1c(=O)c2ccccc2n2c(SC[C@@H](O)COc3ccc(C(C)(C)C)cc3)nnc12 ZINC000012554804 JI Agent Anodyne CCCn1c(=O)c2ccccc2n2c(SC[C@H](O)COc3ccc(C(C)(C)C)cc3)nnc12 ZINC000012554806 JI Agent Anodyne CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000012555880 JI Agent Reactive CCCN(CC1CC1)Cn1nc2n(Cc3ccccc3OC)c(=O)c3ccccc3n2c1=S ZINC000012558067 JI Agent Anodyne O=C(NC[C@@H]1CCCO1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1 ZINC000012558415 JI Agent Anodyne O=C(NC[C@H]1CCCO1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NC(=O)c1ccccc1 ZINC000012558417 JI Agent Anodyne COc1ccc2c(c1)C(=O)N(c1ccccc1C)C(=O)/C2=C/Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000012560555 JI Agent Anodyne CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c([N+](=O)[O-])c1 ZINC000012561285 JI Agent Mild O=[N+]([O-])c1ccc(/C=C2\CCC(/C=N/N=C/c3cccc([N+](=O)[O-])c3)=C2N2CCOCC2)cc1 ZINC000012562085 JI Agent Mild C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(Cc3ccccc3)CC(F)(F)F)nc12 ZINC000012564566 JI Agent Mild CN(CCC#N)C(=O)COC(=O)c1ccccc1SCC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000012565747 JI Agent Mild O=C(O)c1nn(CC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)c(=O)c2ccccc12 ZINC000012566152 JI Agent Anodyne O=C(O)c1nn(CC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)c(=O)c2ccccc12 ZINC000012566154 JI Agent Anodyne COc1ccc(/C=C2\N=C(SCCN3CCOCC3)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000012567331 JI Agent Anodyne CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2c[nH]c3ccc(Br)cc23)c([N+](=O)[O-])c1 ZINC000012570382 JI Agent Mild C/C(=N\Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000012570645 JI Agent Mild O=C1OC(c2cccs2)=N/C1=C\C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000012576747 JI Agent Bother CCCn1c(/C(Cl)=C/c2cccc(C#N)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012579609 JI Agent Mild CCCn1c(/C(Cl)=C/c2ccc(F)c(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012580680 JI Agent Anodyne CCCn1c(/C(Cl)=C/c2cccc([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012580687 JI Agent Bother COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)c2C)cc1 ZINC000012587250 JI Agent Reactive COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)c2C)cc1 ZINC000012587260 JI Agent Reactive COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C(=C/c1cccs1)c1cccs1 ZINC000012589737 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)NC[C@@H](C)c3ccccc3)nnc12 ZINC000012590716 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)NC[C@@H](C)c3ccccc3)nnc12 ZINC000012590722 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)NC[C@H](C)c3ccccc3)nnc12 ZINC000012590729 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)NC[C@H](C)c3ccccc3)nnc12 ZINC000012590735 JI Agent Anodyne COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H](c3cccs3)N3CCOCC3)c2C)cc1 ZINC000012592616 JI Agent Reactive COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](c3cccs3)N3CCOCC3)c2C)cc1 ZINC000012592621 JI Agent Reactive C[C@@H](Sc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)C(=O)NC[C@H](C)c1ccccc1 ZINC000012593103 JI Agent Anodyne C[C@H](CNC(=O)[C@@H](C)Sc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)c1ccccc1 ZINC000012593105 JI Agent Anodyne C[C@H](Sc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)C(=O)NC[C@H](C)c1ccccc1 ZINC000012593111 JI Agent Anodyne C[C@H](Sc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)C(=O)NC[C@@H](C)c1ccccc1 ZINC000012593116 JI Agent Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)C1 ZINC000012593483 JI Agent Anodyne C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)C1 ZINC000012593490 JI Agent Anodyne Cc1ccccc1-n1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3cccc(C#N)c3)nnc12 ZINC000012597704 JI Agent Mild Cc1ccccc1-n1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)nnc12 ZINC000012597706 JI Agent Mild CCCCc1oc2ccccc2c1/C=C/C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000012601656 JI Agent Anodyne CCCn1c(/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012602644 JI Agent Bother O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(Cc2ccccc2F)CC1 ZINC000012602646 JI Agent Anodyne CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000012603250 JI Agent Anodyne CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000012603256 JI Agent Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S/C=C/c1ccc([N+](=O)[O-])o1)n2CC ZINC000012604104 JI Agent Bother O=S(=O)(/C=C/c1ccccc1)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000012605373 JI Agent Clean Cc1ccc(CN(C)C(=O)CSc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)c(C)c1 ZINC000012608666 JI Agent Anodyne Cn1c(=O)c2ccccc2n2c(CSc3nnc(-c4ccccc4)n3-c3ccccc3)nnc12 ZINC000012608951 JI Agent Anodyne CCN(C(=O)CSc1nnc2n(-c3cccc(OC)c3)c(=O)c3ccccc3n12)C1=CCCCC1 ZINC000012610219 JI Agent Anodyne N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000012619155 JI Agent Reactive O=C(/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCc1ccccc1Cl ZINC000012619374 JI Agent Anodyne O=[N+]([O-])c1cc(S(=O)(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)ccc1Cl ZINC000012620177 JI Agent Mild C=CCNC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2 ZINC000012624139 JI Agent Mild COc1cccc(NC(=O)CN(C)C(=O)/C=C/c2ccc(OCc3cn4ccccc4n3)cc2)c1 ZINC000012627387 JI Agent Anodyne O=C(CN1C(=O)CS/C1=C\S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000012631488 JI Agent Anodyne C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)nc12 ZINC000012631589 JI Agent Mild C[C@@H](Sc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)C(=O)N(C)C1CCCCC1 ZINC000012631742 JI Agent Anodyne C[C@H](Sc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)C(=O)N(C)C1CCCCC1 ZINC000012631743 JI Agent Anodyne COc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N[C@@H](C)CCCC(C)C)nnc23)c1 ZINC000012631942 JI Agent Anodyne COc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N[C@H](C)CCCC(C)C)nnc23)c1 ZINC000012631945 JI Agent Anodyne COc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N[C@@H](C)CCCC(C)C)nnc23)cc1 ZINC000012632715 JI Agent Anodyne COc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N[C@H](C)CCCC(C)C)nnc23)cc1 ZINC000012632717 JI Agent Anodyne CCOc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)cc(Br)c1OCC(=O)N(C)C ZINC000012633029 JI Agent Mild CCN(CC)Cc1nc(SCc2nnc3n(C)c(=O)c4ccccc4n23)c2c(C)c(C)sc2n1 ZINC000012633230 JI Agent Anodyne Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(OCC(=O)N3[C@H](C)CCC[C@H]3C)cc1)C(O)=N2 ZINC000012633236 JI Agent Reactive Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(OCC(=O)N3[C@@H](C)CCC[C@H]3C)cc1)C(O)=N2 ZINC000012633240 JI Agent Reactive Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(OCC(=O)N3[C@@H](C)CCC[C@@H]3C)cc1)C(O)=N2 ZINC000012633242 JI Agent Reactive Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)c2C)cc1 ZINC000012635044 JI Agent Anodyne CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1Cl ZINC000012648186 JI Agent Anodyne O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCc1nnc(-c2cccs2)o1 ZINC000012677526 JI Agent Anodyne Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)/C=C/c2cc(C)n(Cc3ccco3)c2C)CC1 ZINC000012687556 JI Agent Anodyne C=CCN(C(=O)/C=C/c1ccc2c(c1)OCCO2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000012691513 JI Agent Mild O=C(CCCCc1nc2ccccc2s1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012692338 JI Agent Anodyne CCOc1cc(/C=C/C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)ccc1OCCOc1ccccc1 ZINC000012729602 JI Agent Anodyne CCOc1cc(/C=C/C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)ccc1OCCOc1ccccc1 ZINC000012729605 JI Agent Anodyne CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2/SC(=S)N(CCN(C)C)C2=O)cs1 ZINC000012738301 JI Agent Clean COc1cc(/C=C/C(=O)Nc2ccc(-n3cncn3)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000012739125 JI Agent Anodyne O=C(N[C@@H]1CCS(=O)(=O)C1)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2 ZINC000012740557 JI Agent Anodyne O=C(N[C@H]1CCS(=O)(=O)C1)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2 ZINC000012740559 JI Agent Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000012742094 JI Agent Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000012742097 JI Agent Anodyne O=C(O)/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000012750618 JI Agent Anodyne COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2c(C)nn3c(C(F)(F)F)ccnc23)c1 ZINC000012754125 JI Agent Anodyne COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2c(C)nn3c(C(F)(F)F)ccnc23)c1 ZINC000012754132 JI Agent Anodyne O=C(/C=C/c1ccc(SC(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012761777 JI Agent Mild C/C=C/c1cc(C(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc(OC)c1OC ZINC000012767216 JI Agent Anodyne COc1ccc(NC(=O)[C@@H](C)Oc2ccc(/C=C3\N=C4CCCCCN4C3=O)cc2OC)cc1 ZINC000012768973 JI Agent Anodyne COc1ccc(NC(=O)[C@H](C)Oc2ccc(/C=C3\N=C4CCCCCN4C3=O)cc2OC)cc1 ZINC000012768978 JI Agent Anodyne CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1cccc(Cl)c1Cl ZINC000012774090 JI Agent Anodyne COc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)/C=C/c1ccccc1 ZINC000012779094 JI Agent Anodyne Cc1cccc(NC(=O)CN2CCN(C(=O)/C=C/c3cc(Br)ccc3F)CC2)c1C ZINC000012783143 JI Agent Anodyne CCCOc1c(Cl)cc(/C=C/C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000012789202 JI Agent Mild O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012789318 JI Agent Mild C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000012789936 JI Agent Anodyne C[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000012789946 JI Agent Anodyne CCNC(=O)COc1ccc(/C=C2\CCn3c2nc2c(Cl)cc(Cl)cc2c3=O)cc1OC ZINC000012791089 JI Agent Anodyne O=C(O)/C(=C\c1ccc(Br)cc1F)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000012792078 JI Agent Anodyne CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000012796127 JI Agent Anodyne CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccc(Br)s2)c1 ZINC000012796368 JI Agent Anodyne CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccccc2Br)c1 ZINC000012797361 JI Agent Anodyne O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1nc(/C=C/c2cccs2)n[nH]1 ZINC000012798103 JI Agent Bother C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012805525 JI Agent Anodyne C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000012805529 JI Agent Anodyne O=C(O)/C(=C\c1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000012811100 JI Agent Anodyne CC(=O)N(c1nc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cs1)c1ccccc1F ZINC000012813048 JI Agent Clean O=C(O)C/C(=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1nc2ccccc2o1 ZINC000012814932 JI Agent Anodyne O=C(/C=C/c1c(Cl)nc2ccccn12)Nn1cnc2scc(-c3cccs3)c2c1=O ZINC000012816771 JI Agent Anodyne O=C(O)/C=C/c1ccc(S(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000012821422 JI Agent Anodyne COc1ccccc1[C@@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)/C=C/c1ccccc1 ZINC000012825514 JI Agent Anodyne COc1ccccc1[C@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)/C=C/c1ccccc1 ZINC000012825516 JI Agent Anodyne O=C(OCCN1C(=O)CNC1=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2 ZINC000012847707 JI Agent Anodyne COc1ccc(/C=C/C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000012854104 JI Agent Anodyne COc1ccc(/C=C/C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000012854110 JI Agent Anodyne COc1cc(/C=C/C(=O)Nc2nnc(C(F)(F)F)s2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000012855703 JI Agent Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000012872911 JI Agent Anodyne CCOC(=O)/C(=C\c1ccc(C)c([N+](=O)[O-])c1)C1=Nn2c(nnc2-c2cccs2)SC1 ZINC000012884931 JI Agent Bother CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cs1 ZINC000012893790 JI Agent Clean Nc1nc(N)nc(COC(=O)c2c3c(nc4ccccc24)/C(=C/c2c(F)cccc2Cl)CC3)n1 ZINC000012895162 JI Agent Anodyne COc1ccc(-c2noc(CCCCCNC(=O)/C=C/c3cc(OC)c4c(c3)OCCO4)n2)cc1 ZINC000012897532 JI Agent Anodyne O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000012919186 JI Agent Anodyne COc1c(Br)cc(Br)cc1/C=C/C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000012929759 JI Agent Mild COc1cc(/C=C/C(=O)Nc2cnc3c(c2)c(C)nn3C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000012942027 JI Agent Anodyne C/C=C/c1ccc(OC[C@@H](O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)c(OC)c1 ZINC000012944008 JI Agent Anodyne C/C=C/c1ccc(OC[C@H](O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)c(OC)c1 ZINC000012944014 JI Agent Anodyne Cc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4ccccc4OC(F)F)CC3)n2)cc1 ZINC000012948623 JI Agent Anodyne CCOc1c(Br)cc(Cl)cc1NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000012950855 JI Agent Anodyne CC(=O)N(c1nc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cs1)c1cccc(C)c1C ZINC000012976377 JI Agent Clean CC(=O)N(c1nc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cs1)c1c(C)cccc1C ZINC000012979257 JI Agent Clean COc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(Cl)c1OC(C)C ZINC000012985186 JI Agent Mild O=C(CN1CCN(C(=O)/C=C/c2cccc(Cl)c2Cl)CC1)Nc1ccccc1Cl ZINC000012987048 JI Agent Anodyne CNS(=O)(=O)c1ccc(-c2ccc(/C=C(\Cl)c3nc4sc5c(c4c(=O)[nH]3)CCC5)o2)cc1 ZINC000012993718 JI Agent Anodyne COc1ccc(Br)cc1/C=C/C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012995777 JI Agent Anodyne O=C1/C(=C\c2c(N3CCCC3)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1 ZINC000012998093 JI Agent Clean COc1cc(/C=C/C(=O)Nc2ccnn2Cc2cc(Br)cs2)cc(OC)c1OC ZINC000013003760 JI Agent Anodyne COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1sc2ccccc2c1Cl ZINC000013005753 JI Agent Anodyne CC(=O)N(c1nc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)O)cs1)c1ccc(F)cc1F ZINC000013006000 JI Agent Anodyne C/C(=N/Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-])c1ccc(O)cc1O ZINC000013016666 JI Agent Mild O=C1C[C@@H](N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)C(=O)N1c1ccc(Cl)cc1 ZINC000013017287 JI Agent Clean CC(C)[C@@H](NC(=O)COC(=O)/C=C/c1cccc2cccnc12)c1ccc2c(c1)OCCCO2 ZINC000013024239 JI Agent Anodyne CC(C)[C@H](NC(=O)COC(=O)/C=C/c1cccc2cccnc12)c1ccc2c(c1)OCCCO2 ZINC000013024242 JI Agent Anodyne CS/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCN(Cc2cccc3ccccc23)CC1 ZINC000013028312 JI Agent Mild CCCCCn1/c(=N/C(=O)c2ccc(F)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 ZINC000013029406 JI Agent Bother CCCCCn1/c(=N/C(=O)c2ccc(C)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 ZINC000013029610 JI Agent Bother CCCCCn1/c(=N/C(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000013029613 JI Agent Bother C[C@@H]1CSC(N(C(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)c2ccc(Cl)cc2)=N1 ZINC000013029751 JI Agent Anodyne CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 ZINC000013029881 JI Agent Anodyne CN1/C(=C\C(=O)CSc2nc3sc4c(c3c(=O)n2C)CCC4)C(C)(C)c2ccccc21 ZINC000013031466 JI Agent Mild CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 ZINC000013037745 JI Agent Reactive CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccc(C(=O)N(C)C)cc3)c3ccccc3C2=O)cc1 ZINC000013040624 JI Agent Anodyne O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1 ZINC000013040789 JI Agent Mild O=C(/C=C/c1nc2ccccc2s1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 ZINC000013056601 JI Agent Mild O=C(COc1ccc2ccccc2c1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 ZINC000013057252 JI Agent Mild O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 ZINC000013059018 JI Agent Mild CC(C)c1ccc([C@@H](C)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)cc1 ZINC000013061812 JI Agent Mild CC(C)c1ccc([C@H](C)NCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)cc1 ZINC000013061817 JI Agent Mild C=CCN(C(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)c1nc2c(s1)CCCC2 ZINC000013062326 JI Agent Mild CCOC(=O)C1CCN(Cn2nc3n(-c4ccc(C)cc4C)c(=O)c4ccccc4n3c2=S)CC1 ZINC000013063524 JI Agent Anodyne O=C(NN=C1CCS(=O)(=O)c2ccc(F)cc21)c1ccc(COc2cccc3cccnc23)cc1 ZINC000013068502 JI Agent Anodyne COc1cc(C(=O)COC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc(OC)c1OC ZINC000013069633 JI Agent Anodyne O=C(CCCSc1nc2ccccc2[nH]1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 ZINC000013070438 JI Agent Mild COc1ccccc1Cn1c(=O)c2ccccc2n2c(=S)n(CN(C)Cc3ccccc3)nc12 ZINC000013070692 JI Agent Anodyne O=C1CN(C(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)c2ccccc2N1 ZINC000013074510 JI Agent Anodyne COc1cccc(/C=C(/C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c2ccccc2)c1 ZINC000013075994 JI Agent Anodyne O=C(/C(=C/c1ccco1)n1nnnc1-c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000013076317 JI Agent Anodyne O=C1C[C@H](C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)CN1Cc1ccco1 ZINC000013096970 JI Agent Anodyne O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000013097321 JI Agent Reactive COc1cc2c(cc1/C=C/C(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@@H]1CCCO1)O[C@H](C)C2 ZINC000013102833 JI Agent Anodyne COc1cc2c(cc1/C=C/C(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@@H]1CCCO1)O[C@@H](C)C2 ZINC000013102835 JI Agent Anodyne CCOc1cc(C=NNC(N)=O)cc(Br)c1OCC(=O)Nc1cccc2ccccc12 ZINC000013108716 JI Agent Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)o1 ZINC000013108724 JI Agent Anodyne Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)c1C ZINC000013109456 JI Agent Anodyne C=CCN(C(=O)/C=C/c1ccc2c(c1)OCO2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000013109677 JI Agent Mild Cn1nnnc1SCC(=O)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 ZINC000013114811 JI Agent Anodyne Cn1nnnc1SCC(=O)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 ZINC000013114813 JI Agent Anodyne CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)nc1 ZINC000013117363 JI Agent Anodyne CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000013120848 JI Agent Anodyne NC(=O)C1CCN(CC(=O)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)CC1 ZINC000013121333 JI Agent Anodyne Cc1cc(/C=C/C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c(C)n1C1CC1 ZINC000013126201 JI Agent Anodyne Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCN(Cc4nc5ccccc5s4)CC3)c2C)no1 ZINC000013128451 JI Agent Anodyne C[C@@H](/N=C1/SCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1ccccc1 ZINC000013133864 JI Agent Mild C[C@H](/N=C1/SCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)c1ccccc1 ZINC000013133865 JI Agent Mild CC(C)CCN1C(=O)/C(=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc21 ZINC000013134156 JI Agent Reactive Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013135149 JI Agent Bother CCOC(=O)N1C/C(=C/c2cc(OC)cc(OC)c2)C(=O)/C(=C/c2cc(OC)cc(OC)c2)C1 ZINC000013135331 JI Agent Mild CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)c1C ZINC000013137589 JI Agent Anodyne COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000013138167 JI Agent Bother CCN1CCc2nc(N/C=C3/C(=O)N(c4ccc(Cl)cn4)C(=O)c4ccccc43)sc2C1 ZINC000013139847 JI Agent Anodyne CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2Br)c1C ZINC000013140893 JI Agent Reactive COCCn1c(Cc2ccccc2)nnc1SCC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000013146364 JI Agent Mild Cc1ccc(Cn2nc(C)c(/C=C/C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)c2C)cc1 ZINC000013146477 JI Agent Anodyne COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C/c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000013146540 JI Agent Anodyne COc1ccc(OC)c(NC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)c1 ZINC000013147544 JI Agent Anodyne COc1cc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)ccc1O ZINC000013147916 JI Agent Reactive O=S(=O)(/C=C/c1ccccc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000013148939 JI Agent Anodyne O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)NC(=O)NCc1ccco1 ZINC000013148942 JI Agent Anodyne Cc1cc(NC(=O)COC(=O)/C=C/c2cc(Br)ccc2F)n(-c2ccccc2)n1 ZINC000013163557 JI Agent Anodyne N#C/C(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)=C(/c1ccc(F)cc1)N1CCOCC1 ZINC000013163759 JI Agent Reactive COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)c1OC ZINC000013262318 JI Agent Anodyne COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1OC ZINC000013279005 JI Agent Anodyne O=C(/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000013302165 JI Agent Mild O=C(/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000013306944 JI Agent Mild COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1OC ZINC000013311354 JI Agent Anodyne O=C(O)c1cc(/C=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)nc2ccccc12 ZINC000013339888 JI Agent Anodyne COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O ZINC000013523843 JI Agent Anodyne COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O ZINC000013523848 JI Agent Anodyne C=CCn1c(SCC(=O)/C(C#N)=C(\c2ccc(F)cc2)N2CCOCC2)nnc1-c1ccccc1 ZINC000013524555 JI Agent Reactive Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3-c3nnc(S)[nH]c3=O)c3ccccc3C2=O)cc1C ZINC000013637959 JI Agent Anodyne Cc1ccc(/C(O)=C(/C(=S)NCc2ccc3c(c2)OCO3)[n+]2ccc(N(C)C)cc2)c(C)c1 ZINC000013686952 JI Agent Anodyne C#CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)N=C2C)cc1OC ZINC000013914004 JI Agent Mild COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc(I)c1OC ZINC000013914960 JI Agent Clean COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Cl)c(I)c1O ZINC000013915044 JI Agent Clean CCN(CC)C(=O)c1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)OC)c1C ZINC000013952981 JI Agent Mild Cc1cc(/C=C/C(=O)OCC(=O)NC(=O)NCCC2=CCCCC2)c(C)n1Cc1ccco1 ZINC000014013623 JI Agent Anodyne Cc1nc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC(F)(F)F)cs1 ZINC000014018575 JI Agent Anodyne Cc1cc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)n1Cc1ccco1 ZINC000014022197 JI Agent Anodyne CN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000014022775 JI Agent Anodyne CSc1nnc(CCCNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1C1CCCC1 ZINC000014066400 JI Agent Anodyne Cc1cc(CSc2ccccc2C(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)no1 ZINC000014068493 JI Agent Anodyne CC1(C)NC(=O)N(CC(=O)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)C1=O ZINC000014075610 JI Agent Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C ZINC000014083628 JI Agent Anodyne Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C ZINC000014083631 JI Agent Anodyne NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000014142386 JI Agent Anodyne NC(=O)[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000014142387 JI Agent Anodyne CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cs1 ZINC000014168051 JI Agent Anodyne CN(Cc1ccc(Br)s1)C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000014181057 JI Agent Anodyne COc1cccc(/C=C/C(=O)N2CCN(Cc3nc4scc(-c5cccs5)c4c(=O)[nH]3)CC2)c1 ZINC000014198892 JI Agent Anodyne CCOc1cc2c(cc1/C=C/C(=O)N1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)O[C@H](C)C2 ZINC000014240930 JI Agent Anodyne CCOc1cc2c(cc1/C=C/C(=O)N1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)O[C@@H](C)C2 ZINC000014240931 JI Agent Anodyne CS(=O)(=O)N1CCCN(c2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)CC1 ZINC000014249990 JI Agent Anodyne COc1ccc(CCn2c(C)cc(C(=O)COC(=O)/C(=C/c3ccccc3)n3nnnc3C)c2C)cc1 ZINC000014358462 JI Agent Anodyne COC(=O)c1ccc(COc2ccccc2/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 ZINC000014358991 JI Agent Anodyne Cc1cc(C)c2c(c1)/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc3ccccc3Cl)c1)C(O)=N2 ZINC000014360137 JI Agent Reactive CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000014623225 JI Agent Anodyne O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000014635283 JI Agent Bother Cc1ccc(Cn2nc(C)c(/C=C/C(=O)O[C@H](C)C(=O)Nc3cccnc3Cl)c2C)cc1 ZINC000014672245 JI Agent Anodyne Cc1ccc(Cn2nc(C)c(/C=C/C(=O)O[C@@H](C)C(=O)Nc3cccnc3Cl)c2C)cc1 ZINC000014672246 JI Agent Anodyne CSCC[C@@H](C(=O)NCCc1ccc(-c2csc(C)n2)cc1)N1C(=O)c2ccccc2C1=O ZINC000014673408 JI Agent Anodyne CSCC[C@H](C(=O)NCCc1ccc(-c2csc(C)n2)cc1)N1C(=O)c2ccccc2C1=O ZINC000014673409 JI Agent Anodyne COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2SC(F)F)c1C ZINC000014773600 JI Agent Reactive CCOC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)sc2c1CCS(=O)(=O)C2 ZINC000014802251 JI Agent Anodyne O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000014897930 JI Agent Anodyne O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000014897931 JI Agent Anodyne CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)CCl ZINC000014909862 JI Agent Reactive CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F ZINC000014932148 JI Agent Anodyne CN1CCCn2c1cc(OCc1cc(F)c(Oc3ccc(C(F)(F)F)nc3)c(F)c1)nc2=O ZINC000145597789 JI Agent Anodyne CCC/N=C1\S/C(=C/c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C ZINC000147037003 JI Agent Mild CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C(=O)O)C1 ZINC000148475971 JI Agent Anodyne C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000015022521 JI Agent Mild C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000015022525 JI Agent Mild O=C(O)CN1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S ZINC000015034293 JI Agent Clean C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S ZINC000015034524 JI Agent Clean C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S ZINC000015034527 JI Agent Clean C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S ZINC000015034550 JI Agent Clean C[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S ZINC000015034555 JI Agent Clean O=S(=O)(c1ccc(Cl)c(NC(=S)Nc2cccc3c(O)cccc23)c1)N1CCOCC1 ZINC000015348222 JI Agent Anodyne Cc1cc(=O)c(C(=O)N2/C(=N/Cc3ccccc3)SCC2(C)C)nn1-c1ccccc1F ZINC000015604713 JI Agent Mild CSCC[C@@H](C(=O)Nc1ccc(-c2csc(C)n2)cc1)N1C(=O)c2ccccc2C1=O ZINC000015613679 JI Agent Anodyne CSCC[C@H](C(=O)Nc1ccc(-c2csc(C)n2)cc1)N1C(=O)c2ccccc2C1=O ZINC000015613681 JI Agent Anodyne O=C([C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCS/C1=N/Cc1ccccc1 ZINC000015635011 JI Agent Mild O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000015719201 JI Agent Mild CCc1cc2c3c([nH]c2cc1S(=O)(=O)NCCN1CCc2ccccc2C1)CC(C)(C)CC3=O ZINC000015733839 JI Agent Anodyne CCOC(=O)c1ccccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000015768963 JI Agent Clean COc1cccc(C(=O)/N=C2/N=C3C=CC(I)=CN3Cc3ccccc32)c1 ZINC000015906208 JI Agent Mild N#C/C(=C\c1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1)c1nnc2n1CCCCC2 ZINC000015906295 JI Agent Reactive O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N/N=C/c1c[nH]c2ccc(Br)cc12 ZINC000015906403 JI Agent Mild O=C(COc1ccccc1F)/N=C1/N=C2C=CC(I)=CN2Cc2ccccc21 ZINC000015906627 JI Agent Mild COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc(C)cc1 ZINC000015906784 JI Agent Reactive O=[N+]([O-])c1ccccc1NC(=S)N/N=C/c1cc(Br)cc(Br)c1O ZINC000015911002 JI Agent Mild Cc1cc(C)c2c(c1)C(=NNC(=O)c1ccc(Cn3nnc(-c4ccccc4)n3)cc1)CCC2 ZINC000015911707 JI Agent Anodyne CCOc1cc(C=NNC(=O)c2ccccc2N)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000015932253 JI Agent Anodyne O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N/N=C/c1cc2ccccc2nc1Cl ZINC000015978467 JI Agent Mild COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000016046341 JI Agent Bother CCOC(=O)c1sc2[nH]c(/C=C/c3cc(O)c(OC)cc3Br)nc(=O)c2c1C ZINC000016051084 JI Agent Anodyne COC(=O)c1ccc(CSc2nnc3n(-c4cc(C)ccc4OC)c(=O)c4ccccc4n23)o1 ZINC000016091181 JI Agent Anodyne CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)/C=C/c1ccccc1 ZINC000016098271 JI Agent Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)c(C)c1C ZINC000016154861 JI Agent Mild CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(OC(F)(F)F)cc3)c(C(=O)O)s2)CC1 ZINC000016158365 JI Agent Anodyne CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n3c(COC(=O)c4ccoc4)nnc23)cc1 ZINC000016158403 JI Agent Anodyne C[C@@H](NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000016181676 JI Agent Anodyne C[C@H](NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000016181678 JI Agent Anodyne CCc1cccc(CC)c1NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000016182905 JI Agent Anodyne COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)c(Br)c(Br)c1O ZINC000016194696 JI Agent Clean CCN(CC)CCN(CC1=CC(C)(C)NC1(C)C)S(=O)(=O)c1cccc2c(N(C)C)cccc12 ZINC000163639965 JI Agent Anodyne Cc1cc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3Cl)CC2)c(Cl)cc1Cl ZINC000002388157 JI Agent Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=NC(=O)c1cccc(C(F)(F)F)c1 ZINC000002495783 JI Agent Anodyne CCCCn1/c(=N/C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000002495863 JI Agent Bother CCCCn1/c(=N/C(=O)c2cccc(Cl)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000002495867 JI Agent Bother O=C(COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 ZINC000020095297 JI Agent Bother O=C(COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)c1ccc(Br)cc1 ZINC000020095299 JI Agent Bother C#CCOc1ccc(Br)c(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)c1 ZINC000020156972 JI Agent Reactive C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(Oc1ccccc1)Oc1ccccc1 ZINC000020156976 JI Agent Reactive C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1O ZINC000020161185 JI Agent Reactive C=CCn1c(CCc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(Br)cc1 ZINC000020161225 JI Agent Reactive CC(=O)[C@@H]1[C@H]2c3ccccc3C=CN2C(C#N)(C#N)[C@@H]1c1ccc(I)cc1 ZINC000020161590 JI Agent Mild CC(=O)[C@H]1[C@H]2c3ccccc3C=CN2C(C#N)(C#N)[C@@H]1c1ccc(I)cc1 ZINC000020161592 JI Agent Mild CC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C(C#N)(C#N)N2C=Cc3ccccc3[C@@H]12 ZINC000020161595 JI Agent Anodyne CCc1cc(C(=O)Nc2cccc(/C(C)=N/NC(=O)COc3ccc4c(c3)OCO4)c2)cs1 ZINC000020191883 JI Agent Reactive CCc1ccc(N2C(=O)[C@H]3C=C[C@H]4C(=O)N(c5ccc(CC)cc5)C(=O)[C@@H]5C=C[C@H](C2=O)C3C45)cc1 ZINC000020192395 JI Agent Anodyne CCc1ccc(N2C(=O)[C@H]3C=C[C@@H]4C(=O)N(c5ccc(CC)cc5)C(=O)[C@@H]5C=C[C@H](C2=O)C3C45)cc1 ZINC000020192401 JI Agent Anodyne CCc1ccccc1N1C(=O)[C@H]2C=C[C@H]3C(=O)N(c4ccccc4CC)C(=O)[C@@H]4C=C[C@H](C1=O)C2C34 ZINC000020213478 JI Agent Anodyne CCc1ccccc1N1C(=O)[C@H]2C=C[C@@H]3C(=O)N(c4ccccc4CC)C(=O)[C@@H]4C=C[C@H](C1=O)C2C34 ZINC000020213486 JI Agent Anodyne COc1cc(/C=N/n2cnn3c(SCc4ccc(Cl)cc4Cl)nnc23)cc(OC)c1OC ZINC000020228240 JI Agent Mild COc1cc(/C=N/n2cnn3c(SCc4cccc(C(F)(F)F)c4)nnc23)cc(OC)c1OC ZINC000020228243 JI Agent Mild COc1ccc(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000020247728 JI Agent Clean COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)c1OC(=O)c1ccco1 ZINC000020274575 JI Agent Reactive COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)c1OC(=O)c1ccco1 ZINC000020274577 JI Agent Reactive CS(C)=NS(=O)(=O)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1 ZINC000020275144 JI Agent Mild Cc1nn(CC(=O)O/N=C(\N)c2ccc(OCc3ccc(Cl)cc3)cc2)c(C)c1Br ZINC000020294268 JI Agent Mild COc1ccc(/C=N/NC(=O)CNc2c(Br)cc(C)cc2Br)c(OC)c1 ZINC000020344346 JI Agent Reactive Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000020357312 JI Agent Reactive COc1ccc(CN(Cc2ccccc2)/C(O)=N/S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000020368262 JI Agent Mild Cc1ccc(N2C(=O)[C@H]3C=C[C@H]4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@@H]5C=C[C@H](C2=O)C3C45)cc1C ZINC000020394630 JI Agent Anodyne Cc1ccc(N2C(=O)[C@H]3C=C[C@@H]4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@@H]5C=C[C@H](C2=O)C3C45)cc1C ZINC000020394636 JI Agent Anodyne Cc1ccc(/C=N/Nc2nc(SCC(=O)Nc3nnc(SCc4ccccc4)s3)n[nH]2)o1 ZINC000020407303 JI Agent Mild Cc1cccc(N2C(=O)[C@H]3C=C[C@H]4C(=O)N(c5cccc(C)c5C)C(=O)[C@@H]5C=C[C@H](C2=O)C3C45)c1C ZINC000020417683 JI Agent Anodyne Cc1cccc(N2C(=O)[C@H]3C=C[C@@H]4C(=O)N(c5cccc(C)c5C)C(=O)[C@@H]5C=C[C@H](C2=O)C3C45)c1C ZINC000020417689 JI Agent Anodyne Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OCc2cccc(F)c2)c1C ZINC000020417936 JI Agent Reactive Cc1ccccc1N[C@H](C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 ZINC000020418887 JI Agent Reactive Cc1ccccc1N[C@@H](C)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 ZINC000020418889 JI Agent Reactive CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(=O)O)cc2)=C(C#N)[C@@H]1c1sccc1C ZINC000020426859 JI Agent Reactive CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C(=O)O)cc2)=C(C#N)[C@H]1c1sccc1C ZINC000020426863 JI Agent Reactive O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccn(Cc2cccc(Br)c2)n1 ZINC000020436908 JI Agent Reactive NC(=O)Cn1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C2CCCCC2)c(-c2ccccc2)n1 ZINC000020530179 JI Agent Reactive O/C(CSc1nnc(-c2ccccc2Br)n1-c1ccccc1)=N\c1ncn[nH]1 ZINC000020530583 JI Agent Mild O=C(CSc1nc2ccccc2s1)Nc1nonc1NC(=O)c1ccc(Br)cc1 ZINC000020534053 JI Agent Anodyne COc1ccc(CN(Cc2cccnc2)C(=S)NC2CC(C)(C)NC(C)(C)C2)c(OC)c1OC ZINC000020568251 JI Agent Anodyne C[C@@H]1CCc2c(sc(NC(=O)CSc3nc4c(cc3C#N)CCCCC4)c2C(N)=O)C1 ZINC000020572222 JI Agent Mild C[C@H]1CCc2c(sc(NC(=O)CSc3nc4c(cc3C#N)CCCCC4)c2C(N)=O)C1 ZINC000020572224 JI Agent Mild CCCCC(=O)N[C@@](NN/C(=N/c1ccc(C)c(C)c1)C(F)(F)F)(C(=O)OCC)C(F)(F)F ZINC000020582047 JI Agent Mild CCCCC(=O)N[C@](NN/C(=N/c1ccc(C)c(C)c1)C(F)(F)F)(C(=O)OCC)C(F)(F)F ZINC000020582050 JI Agent Mild CCCCCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccco3)C(=S)NCC)C2=O)cc1 ZINC000020582435 JI Agent Anodyne CCOc1cccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C(=O)OC)c1 ZINC000020608574 JI Agent Reactive Cc1nc2c(C(=O)N[C@@H]3CCCC[C@H]3C)nc(-c3cccs3)cc2n1[C@H]1CCS(=O)(=O)C1 ZINC000238924060 JI Agent Anodyne Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N/N=Cc2ccc(Br)cc2)NC1=O ZINC000245266201 JI Agent Mild Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N/N=Cc2ccc(Br)cc2)NC1=O ZINC000245266203 JI Agent Mild O=C1N/C(=N\N=Cc2ccc(N3CCOCC3)cc2)S[C@H]1Cc1ccc(SC(F)F)cc1 ZINC000245267770 JI Agent Mild O=C1N/C(=N\N=Cc2ccc(N3CCOCC3)cc2)S[C@@H]1Cc1ccc(SC(F)F)cc1 ZINC000245267771 JI Agent Mild CC[C@@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)NC1=O ZINC000245283748 JI Agent Mild CC[C@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)NC1=O ZINC000245283750 JI Agent Mild CC1=CCCC(C)(C)[C@H]1/C=C\C(C)=N\NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000245285411 JI Agent Mild CCCC[C@@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3c(C)cc(C)cc3C)c2)NC1=O ZINC000245285854 JI Agent Mild CCCC[C@H]1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3c(C)cc(C)cc3C)c2)NC1=O ZINC000245285856 JI Agent Mild COc1ccc(OC)c(CN(Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@H](C)c2ccccc2)c1 ZINC000245329624 JI Agent Anodyne Cc1ccc(N2C(=O)[C@H]3C=C[C@H]4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@@H]5C=C[C@@H](C2=O)[C@H]3[C@@H]45)cc1C ZINC000248140583 JI Agent Anodyne Cc1ccc(N2C(=O)[C@H]3C=C[C@@H]4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@@H]5C=C[C@H](C2=O)[C@@H]3[C@H]45)cc1C ZINC000248140587 JI Agent Anodyne Cc1ccc(N2C(=O)[C@H]3C=C[C@H]4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@H]5C=C[C@@H](C2=O)[C@H]3[C@H]54)cc1C ZINC000248140591 JI Agent Anodyne Cc1cccc(N2C(=O)[C@H]3C=C[C@H]4C(=O)N(c5cccc(C)c5C)C(=O)[C@@H]5C=C[C@@H](C2=O)[C@H]3[C@@H]45)c1C ZINC000248146958 JI Agent Anodyne Cc1cccc(N2C(=O)[C@H]3C=C[C@H]4C(=O)N(c5cccc(C)c5C)C(=O)[C@H]5C=C[C@@H](C2=O)[C@H]3[C@H]54)c1C ZINC000248146965 JI Agent Anodyne Cc1cccc(N2C(=O)[C@H]3C=C[C@@H]4C(=O)N(c5cccc(C)c5C)C(=O)[C@@H]5C=C[C@H](C2=O)[C@@H]3[C@H]45)c1C ZINC000248146970 JI Agent Anodyne CC(=O)[C@@H]1[C@@H]2c3ccccc3C=CN2C(C#N)(C#N)[C@H]1c1ccc(I)cc1 ZINC000248379136 JI Agent Mild CCOC(=O)[C@@](NS(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C ZINC000002569225 JI Agent Anodyne CN(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[C@H]1Cc2ccccc2[C@@H]1C(Cl)Cl ZINC000002576628 JI Agent Reactive Cc1c(/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccc(Br)cc2c1=O ZINC000002616949 JI Agent Anodyne O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000002628763 JI Agent Anodyne O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000002628764 JI Agent Anodyne O=C(Cc1cccc(C(F)(F)F)c1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC000002629833 JI Agent Anodyne COC(=O)c1cc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc(C(=O)OC)c1 ZINC000002629886 JI Agent Anodyne N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1nccs1 ZINC000002630746 JI Agent Reactive N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1nccs1 ZINC000002630747 JI Agent Reactive C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000002632078 JI Agent Mild C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000002632080 JI Agent Mild COc1cc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)ccc1O ZINC000002633863 JI Agent Clean Cc1cc(C(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)n1Cc1ccc2c(c1)OCO2 ZINC000002635210 JI Agent Bother N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000002637055 JI Agent Reactive C[C@H](OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C(=O)N(C)c1ccccc1 ZINC000002640312 JI Agent Anodyne COc1cc(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)ccc1O ZINC000002640946 JI Agent Anodyne COc1cc(/C=C/C(=O)OCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)ccc1O ZINC000002640948 JI Agent Anodyne COc1ccccc1N(CC(=O)NCCCc1ccccc1)S(=O)(=O)/C=C/c1ccccc1 ZINC000002644285 JI Agent Anodyne CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 ZINC000002646194 JI Agent Reactive O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)NNC(=O)c1cccs1 ZINC000002649743 JI Agent Reactive O=C(C[C@@H]1S/C(=N\c2ccc3c(c2)OCCO3)NC1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002652612 JI Agent Mild O=C(C[C@H]1S/C(=N\c2ccc3c(c2)OCCO3)NC1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002652614 JI Agent Mild Cc1cc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000002654734 JI Agent Bother Cc1cc(C(=O)CSCc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)c(C)n1C ZINC000002656146 JI Agent Anodyne Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCN1C(=O)S/C(=C\c2cccs2)C1=O ZINC000002656720 JI Agent Anodyne COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(Br)c2)ccc1OC(F)F ZINC000002656930 JI Agent Anodyne COCc1c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)oc2ccccc12 ZINC000002657639 JI Agent Anodyne O=c1c2ccccc2n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nnc2n1-c1ccccc1 ZINC000002657663 JI Agent Bother Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1 ZINC000002663592 JI Agent Mild O=C(/C=C/c1cnc2ccccc2n1)OCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000002664773 JI Agent Anodyne C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)nnc12 ZINC000002664838 JI Agent Mild COc1cc(/C=C2/SC(=S)N=C2O)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000002735905 JI Agent Anodyne O=C(NN=Cc1ccncc1)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000002781456 JI Agent Anodyne Cc1nn(C)cc1/C=C1\N=C(SCC(=O)Nc2ccc3ccccc3c2)N(CC(C)C)C1=O ZINC000002785112 JI Agent Anodyne CC(C)CN1C(=O)/C(=C/c2cnn(C)c2)N=C1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000002785615 JI Agent Anodyne CCOc1ccc(I)cc1/C=C1/C(=O)N(C)C(=S)N1c1ccccc1 ZINC000002798663 JI Agent Anodyne Cc1nn(C)cc1/C=C1/N=C(SCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)N(C2CC2)C1=O ZINC000002800016 JI Agent Anodyne CC(C)CCNC(=O)c1ccc2c(=O)[nH]c3c(C(=O)NC4CCCC4)sc(=S)n3c2c1 ZINC000002956579 JI Agent Anodyne O=C(NC1CCCCC1)c1ccc2c(=O)[nH]c3c(C(=O)NC4CCCC4)sc(=S)n3c2c1 ZINC000002956612 JI Agent Anodyne Cc1ccc(CNC(=O)c2ccc3c(=O)[nH]c4c(C(=O)NC5CCCC5)sc(=S)n4c3c2)cc1 ZINC000002957495 JI Agent Anodyne O=C(NC1CCCC1)c1ccc2c(O)nc3c(C(=O)NC4CCCC4)sc(=S)n3c2c1 ZINC000002957496 JI Agent Anodyne Cc1ccc(CNC(=O)c2ccc3c(O)nc4c(C(=O)NC(C)C)sc(=S)n4c3c2)cc1 ZINC000002957541 JI Agent Anodyne CCc1ccccc1N1C(=O)[C@H]2C=C[C@H]3C(=O)N(c4ccccc4CC)C(=O)[C@@H]4C=C[C@@H](C1=O)[C@H]2[C@@H]34 ZINC000251922225 JI Agent Anodyne CCc1ccccc1N1C(=O)[C@H]2C=C[C@H]3C(=O)N(c4ccccc4CC)C(=O)[C@H]4C=C[C@@H](C1=O)[C@H]2[C@H]43 ZINC000251922227 JI Agent Anodyne CCc1ccccc1N1C(=O)[C@H]2C=C[C@@H]3C(=O)N(c4ccccc4CC)C(=O)[C@@H]4C=C[C@H](C1=O)[C@@H]2[C@H]34 ZINC000251922229 JI Agent Anodyne CCc1ccc(N2C(=O)[C@H]3C=C[C@H]4C(=O)N(c5ccc(CC)cc5)C(=O)[C@@H]5C=C[C@@H](C2=O)[C@H]3[C@@H]45)cc1 ZINC000252006451 JI Agent Anodyne CCc1ccc(N2C(=O)[C@H]3C=C[C@@H]4C(=O)N(c5ccc(CC)cc5)C(=O)[C@@H]5C=C[C@H](C2=O)[C@@H]3[C@H]45)cc1 ZINC000252006454 JI Agent Anodyne CCc1ccc(N2C(=O)[C@H]3C=C[C@H]4C(=O)N(c5ccc(CC)cc5)C(=O)[C@H]5C=C[C@@H](C2=O)[C@H]3[C@H]54)cc1 ZINC000252006458 JI Agent Anodyne NC(=O)[C@@H]1CCCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1 ZINC000252443965 JI Agent Anodyne COc1cc(/C=N/N=C2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000252486798 JI Agent Mild COc1cc(/C=N/N=C2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 ZINC000252486799 JI Agent Mild COc1cc(/C=N/N=C2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000252486800 JI Agent Mild C=CCNC(=S)NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2Cl)CC1 ZINC000252510977 JI Agent Mild CN1/C(=C/C=Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C(C)(C)c2ccccc21 ZINC000252512496 JI Agent Mild CN1/C(=C/C=Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C(C)(C)c2ccccc21 ZINC000252513336 JI Agent Mild Clc1ccc(/C=C2/CCC(C=NN3CCN(c4ccccn4)CC3)=C2N2CCOCC2)cc1 ZINC000252677918 JI Agent Mild CCN(CC)c1ccc(/C=C2/CCC(C=NNS(=O)(=O)c3ccccc3)=C2N2CCOCC2)cc1 ZINC000252679153 JI Agent Mild O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)c(Br)c1)[C@@H]1C[C@@H]31 ZINC000253390224 JI Agent Anodyne O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000253390225 JI Agent Anodyne O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000253390227 JI Agent Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000253390229 JI Agent Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C(C)C)[C@H]4C(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000253391656 JI Agent Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C(C)C)[C@H]4C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000253391657 JI Agent Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(O3)[C@@H]2C(=O)N(C(C)C)[C@H]4C(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000253391658 JI Agent Anodyne Cn1nnnc1SCC(=O)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 ZINC000253392194 JI Agent Anodyne CC(C)N1C(=O)C(=O)N(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1=O ZINC000253393258 JI Agent Anodyne CC1(C)NC(=O)N(CC(=O)N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)C1=O ZINC000253398749 JI Agent Anodyne CC1(C)NC(=O)N(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1=O ZINC000253398772 JI Agent Anodyne NC(=O)[C@@H]1CCCN(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1 ZINC000253415724 JI Agent Anodyne CC(=O)N1CCN(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)CC1 ZINC000253415726 JI Agent Anodyne COc1cc([C@H](CC(=O)NCc2ccc(F)cc2)c2c(O)c3ccccc3oc2=O)cc2c1OCO2 ZINC000253470743 JI Agent Anodyne COc1cc([C@@H](CC(=O)NCc2ccc(F)cc2)c2c(O)c3ccccc3oc2=O)cc2c1OCO2 ZINC000253470744 JI Agent Anodyne Cc1c(C=NNC(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccncc1 ZINC000253679537 JI Agent Reactive Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000254288100 JI Agent Reactive COc1ccccc1N=C1S[C@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)CC(=O)N1C ZINC000254288109 JI Agent Anodyne COc1ccccc1N=C1S[C@@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)CC(=O)N1C ZINC000254288111 JI Agent Anodyne Cc1ccc(C)c(S(=O)(=O)NN=Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)c1 ZINC000254288157 JI Agent Mild Cc1ccc(C)c(S(=O)(=O)NN=Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)c1 ZINC000254288159 JI Agent Mild Cc1cccc(C)c1N=C1S[C@@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1CCN(C)C ZINC000254288297 JI Agent Anodyne Cc1cccc(C)c1N=C1S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1CCN(C)C ZINC000254288300 JI Agent Anodyne O=C(O)c1ccc(-c2ccc(C=NNC(=O)c3cccc(I)c3)o2)cc1 ZINC000254293079 JI Agent Anodyne C=CCN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=Cc1ccc(OC(F)F)cc1 ZINC000254301476 JI Agent Mild N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1-c1ccc(F)cc1 ZINC000254301934 JI Agent Anodyne CSc1ccc(C=NNC(=O)COc2ccc(Br)cc2Br)cc1 ZINC000254303352 JI Agent Anodyne CC[C@H]1CSC(Nc2ccc(C(C)=NNS(=O)(=O)c3ccc(Br)cc3)cc2)=N1 ZINC000254303774 JI Agent Anodyne CC[C@@H]1CSC(Nc2ccc(C(C)=NNS(=O)(=O)c3ccc(Br)cc3)cc2)=N1 ZINC000254303775 JI Agent Anodyne CCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=NO)c2ccc(Br)cc2)cc1 ZINC000254306989 JI Agent Anodyne CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Cl)c3Cl)c(=O)n2[C@@H]1c1cccs1 ZINC000254307125 JI Agent Anodyne CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Cl)c3Cl)c(=O)n2[C@H]1c1cccs1 ZINC000254307130 JI Agent Anodyne CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1 ZINC000254307436 JI Agent Anodyne CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccccc1 ZINC000254307437 JI Agent Anodyne COCCN=c1scc(-c2ccccc2Br)n1N=Cc1ccc2c(c1)OCO2 ZINC000254308801 JI Agent Anodyne CN(C)S(=O)(=O)c1cccc(NC(=S)NN=CC(c2ccccc2)c2ccccc2)c1 ZINC000254311265 JI Agent Mild CCOc1ccc(Oc2c(C=NNC(=O)Cn3nc(C)cc3C)c(C)nn2-c2ccccc2)cc1 ZINC000254312746 JI Agent Reactive CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(sc(=Cc3ccc(C)cc3)c2=O)=N1 ZINC000254312850 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(sc(=Cc3ccc(C)cc3)c2=O)=N1 ZINC000254312853 JI Agent Anodyne CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCCC(=NO)c1cccs1 ZINC000254313642 JI Agent Mild CCOC(=O)c1ccc(-c2ccc(C=N/N=C3\NC(=O)[C@H](CC(=O)Nc4ccccc4)S3)o2)cc1 ZINC000254316511 JI Agent Anodyne CCOC(=O)c1ccc(-c2ccc(C=N/N=C3\NC(=O)[C@@H](CC(=O)Nc4ccccc4)S3)o2)cc1 ZINC000254316518 JI Agent Anodyne O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCCC2)C1=O)Nc1ccc(C(=O)O)cc1 ZINC000254319792 JI Agent Anodyne O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCCC2)C1=O)Nc1ccc(C(=O)O)cc1 ZINC000254319794 JI Agent Anodyne COCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000254339520 JI Agent Anodyne COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000254339522 JI Agent Anodyne CC(=NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccc2c(c1)OCO2 ZINC000254341126 JI Agent Reactive COc1cccc(OCC(=O)N=C2N=C3C=CC(I)=CN3Cc3ccccc32)c1 ZINC000254343023 JI Agent Mild COCCN=c1scc(-c2cccs2)n1N=Cc1cc(Br)c(O)c(OC)c1 ZINC000254344132 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)n2c(sc(=Cc3ccccc3)c2=O)=N1 ZINC000254344919 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)n2c(sc(=Cc3ccccc3)c2=O)=N1 ZINC000254344923 JI Agent Anodyne CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1OC ZINC000254346849 JI Agent Anodyne CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccccc1OC ZINC000254346857 JI Agent Anodyne COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)SC1=Nc1ccccc1 ZINC000254348128 JI Agent Anodyne COCCCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)SC1=Nc1ccccc1 ZINC000254348140 JI Agent Anodyne CN(c1ccccc1)c1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1 ZINC000254348625 JI Agent Anodyne COc1ccc(C(C)=NOCc2nc3c4c5c(sc4ncn3n2)C(C)(C)NC(C)(C)C5)cc1 ZINC000254348889 JI Agent Mild CSc1ccc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)c3c[nH]c4ccccc34)c2=O)cc1 ZINC000254372695 JI Agent Anodyne COc1ccc(C=Nn2cnnc2S)cc1COc1ccc(Cl)cc1Br ZINC000254378072 JI Agent Anodyne COc1ccccc1N=c1scc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CC(C)C ZINC000254379404 JI Agent Anodyne COc1ccccc1Nc1nc(Cl)c(C=NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)s1 ZINC000254381736 JI Agent Anodyne COc1ccccc1Nc1nc(Cl)c(C=NN2C(=O)N[C@](C)(c3ccccc3)C2=O)s1 ZINC000254381738 JI Agent Anodyne COc1ccc(-c2n[nH]cc2C=NNC(=O)C2c3ccccc3Oc3ccccc32)cc1OC ZINC000254383201 JI Agent Anodyne CCOc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C[C@@H]1CCCO1 ZINC000254383727 JI Agent Anodyne CCOc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C[C@H]1CCCO1 ZINC000254383728 JI Agent Anodyne CCOc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2)C(=O)N1C[C@@H]1CCCO1 ZINC000254383729 JI Agent Anodyne CCOc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2)C(=O)N1C[C@H]1CCCO1 ZINC000254383730 JI Agent Anodyne Cn1ncc(N=Cc2cc(Br)c(Br)s2)c1C(=O)NCc1ccco1 ZINC000254383755 JI Agent Anodyne Cc1ccccc1C(=O)NN=C1C(=O)N(CN2CCCCCC2)c2ccc(Br)cc21 ZINC000254384669 JI Agent Anodyne COc1ccc(NS(=O)(=O)c2ccc(C(C)=NN=c3sc4ccccc4n3C)cc2)cc1 ZINC000254384724 JI Agent Mild Clc1ccc(/C=C2\CCC(C=NN3CCN(c4ccccn4)CC3)=C2N2CCOCC2)cc1 ZINC000254384962 JI Agent Anodyne CN1C(=O)C[C@@H](C(=O)Nc2ccc(I)cc2)SC1=Nc1ccc(F)cc1 ZINC000254384978 JI Agent Anodyne CN1C(=O)C[C@H](C(=O)Nc2ccc(I)cc2)SC1=Nc1ccc(F)cc1 ZINC000254384981 JI Agent Anodyne COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C ZINC000254385071 JI Agent Reactive COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000254385072 JI Agent Reactive COc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000254385073 JI Agent Reactive CC(C)(C)C(=O)C=c1[nH]c(=O)c(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)s1 ZINC000254385377 JI Agent Anodyne Cc1ccc(C(C)C)c(OCC(=O)N2C[C@@H](C)SC2=Nc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000254385663 JI Agent Mild Cc1ccc(C(C)C)c(OCC(=O)N2C[C@H](C)SC2=Nc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000254385670 JI Agent Mild NC(=S)NN=c1oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1ccc(Br)cc1 ZINC000254386807 JI Agent Anodyne COc1cc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OC(C)C ZINC000254391313 JI Agent Anodyne CCOc1ccc(S(=O)(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000254392012 JI Agent Mild O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccccn1 ZINC000254392333 JI Agent Reactive COc1cc(S(=O)(=O)N2CCCCC2)ccc1N=Cc1cc(Br)ccc1O ZINC000254393331 JI Agent Anodyne O=c1c(=Cc2ccc(Br)cc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000254394045 JI Agent Anodyne O=c1c(=Cc2ccc(Br)cc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 ZINC000254394046 JI Agent Anodyne CCN(CC)c1ccc(/C=C2\CCC(C=NNS(=O)(=O)c3ccccc3)=C2N2CCOCC2)cc1 ZINC000254394658 JI Agent Mild O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1n[nH]c(=O)c2ccccc12 ZINC000254394845 JI Agent Reactive Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000254395675 JI Agent Anodyne O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1cccnc1 ZINC000254396061 JI Agent Reactive COCCN=c1scc(-c2ccccc2Br)n1N=Cc1cccc(OC)c1OC ZINC000254396148 JI Agent Anodyne CC(=NNC(=O)Cc1csc(N2CCOCC2)n1)c1ccc2c(c1)Nc1ccccc1S2 ZINC000254396309 JI Agent Reactive COc1cc(Br)cc(Br)c1OCC(=O)NN=C(C)c1cccs1 ZINC000254396778 JI Agent Anodyne Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)S(=O)(=O)/C=C\c2ccc(Cl)cc2)c1C ZINC000254400243 JI Agent Anodyne CC/N=C1\S[C@@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1N=Cc1ccc(N(C)C)cc1 ZINC000254400698 JI Agent Anodyne CC/N=C1\S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1N=Cc1ccc(N(C)C)cc1 ZINC000254400700 JI Agent Anodyne CC/N=C1/S[C@@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1N=Cc1ccc(N(C)C)cc1 ZINC000254400702 JI Agent Anodyne CC/N=C1/S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1N=Cc1ccc(N(C)C)cc1 ZINC000254400704 JI Agent Anodyne C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=Cc1c(-c2ccccc2)nc2ccccn12 ZINC000254401014 JI Agent Anodyne C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NN=Cc1c(-c2ccccc2)nc2ccccn12 ZINC000254401017 JI Agent Anodyne Cc1nn(Cc2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(CSc2nncn2C)cc1 ZINC000254401549 JI Agent Anodyne COc1ccc(S(=O)(=O)NN=Cc2ccc(COc3cccc(C(F)(F)F)c3)o2)cc1 ZINC000254402179 JI Agent Mild Cc1sc2ncn(N=Cc3cc(Br)c(O)c(Br)c3)c(=O)c2c1C ZINC000254402420 JI Agent Anodyne COc1ccc(N=Cc2cccc(Oc3ccccc3)c2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000254403112 JI Agent Mild COc1cc(C=Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cc(Br)c1O ZINC000254403318 JI Agent Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)Cc1nc2ccccc2n1C ZINC000254403872 JI Agent Anodyne Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccc(C(C)(C)C)cc4)n(C[C@H]4CCCO4)c3nc12 ZINC000254404246 JI Agent Bother Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)c4ccc(C(C)(C)C)cc4)n(C[C@@H]4CCCO4)c3nc12 ZINC000254404251 JI Agent Bother CCOc1cc(C=NNS(=O)(=O)c2ccc(CC)cc2)cc(Br)c1OCC ZINC000254412356 JI Agent Anodyne CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2CCOC)cc1 ZINC000254412496 JI Agent Anodyne CCOc1ccc(N=C2S[C@H](CC(=O)Nc3c(C)cccc3C)C(=O)N2CCOC)cc1 ZINC000254412500 JI Agent Anodyne O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=c1sc2nc3ccccc3n2c1=O ZINC000254414109 JI Agent Anodyne Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)/C=C/c4ccc(Cl)cc4)n(CC(C)C)c3nc12 ZINC000254416394 JI Agent Anodyne Cc1cccn2c(=O)c3cc(C#N)c(=NC(=O)/C=C\c4ccc(Cl)cc4)n(CC(C)C)c3nc12 ZINC000254416397 JI Agent Anodyne COC(=O)c1cc(C=NOCC(=O)Nc2c(Br)cc(C)cc2Br)oc1C ZINC000254429065 JI Agent Anodyne O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)[C@@H]1CCCN1c1ncccn1 ZINC000254429516 JI Agent Anodyne O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)[C@H]1CCCN1c1ncccn1 ZINC000254429519 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)o2)n2c(sc(=Cc3ccccc3Cl)c2=O)=N1 ZINC000254430108 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)o2)n2c(sc(=Cc3ccccc3Cl)c2=O)=N1 ZINC000254430110 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(sc(=Cc3ccc(F)cc3)c2=O)=N1 ZINC000254434912 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(sc(=Cc3ccc(F)cc3)c2=O)=N1 ZINC000254434913 JI Agent Anodyne CC(=NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(C)o1 ZINC000254438443 JI Agent Anodyne COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1Cn1nc(C)c(Br)c1C ZINC000254439526 JI Agent Anodyne CCOc1ccc(-c2nc3sc(=Cc4ccc(-c5ccc(C(C)=O)cc5)o4)c(=O)n3n2)cc1 ZINC000254439702 JI Agent Anodyne COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(C[C@H]3CCCO3)C2=O)c(OC)c1 ZINC000254440135 JI Agent Anodyne COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(C[C@@H]3CCCO3)C2=O)c(OC)c1 ZINC000254440137 JI Agent Anodyne COc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(C[C@@H]3CCCO3)C2=O)c(OC)c1 ZINC000254440139 JI Agent Anodyne COc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(C[C@H]3CCCO3)C2=O)c(OC)c1 ZINC000254440142 JI Agent Anodyne CCCCN(CCCC)CN1C(=O)C(=NNC(=O)COc2c(C)cccc2C)c2ccccc21 ZINC000254440673 JI Agent Reactive COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000254441110 JI Agent Anodyne COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3ccc(OC(F)(F)Cl)cc3)S2)cc1 ZINC000254441116 JI Agent Anodyne O=C(NN=Cc1ccc(N2CCCCC2)s1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 ZINC000254442529 JI Agent Reactive CC(=NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1cc2c(cc1NC(=O)CCCC(=O)O)OCO2 ZINC000254443345 JI Agent Reactive Nn1c(SCC(=O)N=c2sccn2Cc2ccccc2Cl)nnc1-c1cccc(Cl)c1 ZINC000254443405 JI Agent Anodyne COc1ccc(C=NOCc2nc3c4c5c(sc4ncn3n2)C(C)(C)NC(C)(C)C5)cc1 ZINC000254443837 JI Agent Mild C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1cccc(O)c1 ZINC000254445961 JI Agent Reactive Cc1ccccc1-n1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccccc2Br)c1=O ZINC000254446935 JI Agent Anodyne Cn1c(SCC(=O)NN=Cc2c(O)ccc3ccccc23)nnc1-c1ccccc1Br ZINC000254449264 JI Agent Anodyne CC(Cl)(Cl)C(=O)N=C1N=C2C=CC(I)=CN2Cc2ccccc21 ZINC000254450537 JI Agent Mild COc1cc(C=NN2C(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000254466443 JI Agent Mild CCn1nc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c2ccccc2c1=O ZINC000254478449 JI Agent Reactive Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 ZINC000254478473 JI Agent Reactive COC(=O)c1ccc(COc2ccc3ccccc3c2C=Nn2c(S)nnc2C(F)F)o1 ZINC000254478506 JI Agent Mild CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1=O ZINC000254479940 JI Agent Clean CCCn1c(=NC(=O)/C=C/c2ccc(Cl)cc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000254480263 JI Agent Anodyne CCCn1c(=NC(=O)/C=C\c2ccc(Cl)cc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000254480266 JI Agent Anodyne O=C(NN=Cc1coc2ccc(Cl)cc2c1=O)c1ccnn1Cc1cccc(Br)c1 ZINC000254480448 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)n2c(sc(=Cc3cccs3)c2=O)=N1 ZINC000254482040 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)n2c(sc(=Cc3cccs3)c2=O)=N1 ZINC000254482041 JI Agent Anodyne C=CCN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=Cc1ccccc1OC(F)F ZINC000254483922 JI Agent Mild CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(sc(=Cc3ccc(F)cc3)c2=O)=N1 ZINC000254483931 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(sc(=Cc3ccc(F)cc3)c2=O)=N1 ZINC000254483932 JI Agent Anodyne CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(I)cc1 ZINC000254484285 JI Agent Anodyne CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(I)cc1 ZINC000254484286 JI Agent Anodyne CCOc1cc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1OC ZINC000254484561 JI Agent Anodyne O=C(Oc1ccc(C=NNC(=O)c2ccnn2Cc2cccc(Br)c2)cc1)c1ccco1 ZINC000254486077 JI Agent Anodyne Cc1cc(Br)c(NCC(=O)NN=Cc2ccc(N(C)C)cc2)c(Br)c1 ZINC000254486613 JI Agent Anodyne CCc1cccc2c(C=NNC(=O)c3ccccc3NS(=O)(=O)c3cccs3)c[nH]c12 ZINC000254487932 JI Agent Reactive CCn1c(=O)c2ccccc2n2c(CON=Cc3ccc(OCc4ccccc4)c(OC)c3)nnc12 ZINC000254489872 JI Agent Mild CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)o2)n2c(sc(=Cc3ccc(Cl)cc3)c2=O)=N1 ZINC000254491494 JI Agent Anodyne CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc2c(c1)OCCO2 ZINC000254492609 JI Agent Anodyne CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc2c(c1)OCCO2 ZINC000254492610 JI Agent Anodyne C/N=C1/S[C@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1N=Cc1ccc2ccccc2c1 ZINC000254493118 JI Agent Anodyne C/N=C1\S[C@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1N=Cc1ccc2ccccc2c1 ZINC000254493120 JI Agent Anodyne C/N=C1\S[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1N=Cc1ccc2ccccc2c1 ZINC000254493122 JI Agent Anodyne C/N=C1/S[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N1N=Cc1ccc2ccccc2c1 ZINC000254493125 JI Agent Anodyne O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=Cc1ccccc1C(=O)O ZINC000254493628 JI Agent Anodyne COCCN=c1scc(-c2ccc(Br)cc2)n1N=Cc1ccc(OC)c(O)c1 ZINC000254494294 JI Agent Anodyne O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=Cc1ccccc1O ZINC000254497123 JI Agent Anodyne COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1Cn1nc(C)c(Br)c1C ZINC000254498359 JI Agent Anodyne CN(C)S(=O)(=O)c1cccc(N=c2scc(-c3ccco3)n2Cc2ccc3c(c2)OCO3)c1 ZINC000254498365 JI Agent Anodyne C[C@H](Sc1nc2ccccc2s1)C(=O)NN=Cc1cc2c(cc1Br)OCO2 ZINC000254498915 JI Agent Anodyne C[C@@H](Sc1nc2ccccc2s1)C(=O)NN=Cc1cc2c(cc1Br)OCO2 ZINC000254498920 JI Agent Anodyne CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N=C2N=C3C=CC=CN3Cc3ccccc32)cc1 ZINC000254499390 JI Agent Mild COCCN=c1scc(-c2ccc(OC)cc2OC)n1N=Cc1cc(Br)ccc1O ZINC000254500112 JI Agent Anodyne CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCC(=O)N1CCCCC1 ZINC000254500135 JI Agent Mild O=C(Cc1ccccc1)N=C1N=C2C=CC(I)=CN2Cc2ccccc21 ZINC000254505827 JI Agent Mild COCCN1C(=O)[C@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1 ZINC000254505835 JI Agent Anodyne COCCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Br)SC1=Nc1ccccc1 ZINC000254505836 JI Agent Anodyne CCOc1ccc(NC(=O)c2ccccc2NC(=O)CON=CC(=O)Nc2ccc(C)cc2)cc1 ZINC000254506577 JI Agent Mild Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000254506620 JI Agent Anodyne O=C(C[C@H]1S/C(=N/N=Cc2ccc(OCc3ccc(F)cc3)cc2)NC1=O)Nc1ccccc1 ZINC000254506854 JI Agent Anodyne O=C(C[C@@H]1S/C(=N/N=Cc2ccc(OCc3ccc(F)cc3)cc2)NC1=O)Nc1ccccc1 ZINC000254506855 JI Agent Anodyne O=C(CON=Cc1cc2c(cc1Br)OCO2)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000254508537 JI Agent Anodyne CSc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(-c3cc(C)ccc3C)c2=O)cc1 ZINC000254508584 JI Agent Anodyne CNc1nc(NN=Cc2cc(Br)c(O)c(Br)c2)nc(Nc2ccccc2)n1 ZINC000254508672 JI Agent Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)c1ccc(CSc2nncn2C)cc1 ZINC000254508806 JI Agent Anodyne COC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)CNc3ccc(Br)cc3)c2C)cc1 ZINC000254509096 JI Agent Anodyne CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCCN2CCCC2=O)cc1 ZINC000254511231 JI Agent Anodyne CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCCN2CCCC2=O)cc1 ZINC000254511233 JI Agent Anodyne Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 ZINC000254512754 JI Agent Reactive C/N=C1\S[C@H](CC(=O)Nc2cccc(C(C)=O)c2)C(=O)N1N=Cc1ccc2cc(OC)ccc2c1 ZINC000254513360 JI Agent Anodyne C/N=C1/S[C@@H](CC(=O)Nc2cccc(C(C)=O)c2)C(=O)N1N=Cc1ccc2cc(OC)ccc2c1 ZINC000254513363 JI Agent Anodyne C/N=C1\S[C@@H](CC(=O)Nc2cccc(C(C)=O)c2)C(=O)N1N=Cc1ccc2cc(OC)ccc2c1 ZINC000254513368 JI Agent Anodyne C/N=C1/S[C@H](CC(=O)Nc2cccc(C(C)=O)c2)C(=O)N1N=Cc1ccc2cc(OC)ccc2c1 ZINC000254513372 JI Agent Anodyne CN1c2ccccc2C(C)(C)[C@]12CC(c1ccc3c(c1)S(=O)(=O)c1ccccc1C3=NO)=NO2 ZINC000254513605 JI Agent Mild CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccc3c(c1)S(=O)(=O)c1ccccc1C3=NO)=NO2 ZINC000254513606 JI Agent Mild COc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1 ZINC000254514628 JI Agent Anodyne COc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1 ZINC000254514630 JI Agent Anodyne COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000254515033 JI Agent Anodyne COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000254515035 JI Agent Anodyne COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000254515037 JI Agent Anodyne COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000254515039 JI Agent Anodyne Cc1nc2ccccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 ZINC000254515774 JI Agent Mild CC(CC(=O)Nc1cccc(Cl)c1C)=NNC(=O)COc1ccc(Br)cc1 ZINC000254521314 JI Agent Anodyne COC(=O)c1ccc(N=C2S[C@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)CC(=O)N2C)cc1 ZINC000254521610 JI Agent Anodyne COC(=O)c1ccc(N=C2S[C@@H](C(=O)Nc3ccc(OC(F)(F)Cl)cc3)CC(=O)N2C)cc1 ZINC000254521615 JI Agent Anodyne COc1ccc2ccccc2c1C=NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000254521730 JI Agent Reactive Cc1ccc(S(=O)(=O)NN=Cc2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 ZINC000254525049 JI Agent Mild CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CON=Cc1ccc(-n2cnnc2)cc1 ZINC000254531887 JI Agent Mild CC(=NNC(=O)[C@]1(C)CC1(Br)Br)c1ccc(Br)s1 ZINC000254533372 JI Agent Anodyne CC(=NNC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(Br)s1 ZINC000254533375 JI Agent Anodyne O=c1nc2sc(=Cc3ccc(-c4ccc(F)cc4F)o3)c(=O)n2c2sc3c(c12)CCCC3 ZINC000254545777 JI Agent Anodyne CCCCN(CCCC)CN1C(=O)C(=NNC(=O)c2cccnc2)c2cc(Br)ccc21 ZINC000254550978 JI Agent Anodyne CCCCCn1c(=NC(=O)c2cccc(F)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 ZINC000254554813 JI Agent Bother O=C(N=C1N=C2C=CC(I)=CN2Cc2ccccc21)c1ccc(Cl)nc1 ZINC000254555349 JI Agent Anodyne CC(=Nn1c(-c2cccs2)csc1=Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccn1 ZINC000254556243 JI Agent Mild CCOc1cc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCC ZINC000254556600 JI Agent Anodyne O=S(=O)(c1cccc(N=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c1)N1CCCC1 ZINC000254556736 JI Agent Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(N=Cc2ccc(OC)c(OC)c2OC)c1 ZINC000254558636 JI Agent Mild O=C(NN=C1C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccco1 ZINC000254565480 JI Agent Reactive Cc1ccc(OCC(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1C ZINC000254565540 JI Agent Anodyne CCOC(=O)c1ccc(N=C2S[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2C)cc1 ZINC000254566157 JI Agent Anodyne CCOC(=O)c1ccc(N=C2S[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC(=O)N2C)cc1 ZINC000254566160 JI Agent Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccccc3Cl)o2)cc1 ZINC000254567380 JI Agent Anodyne COc1cccc(C(=O)N=C2N=C3C=CC(I)=CN3Cc3ccccc32)c1 ZINC000254569048 JI Agent Mild CC(=NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000254569162 JI Agent Reactive CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)C(=NNC(=O)c3ccco3)c3cc(Br)ccc32)C1 ZINC000254578113 JI Agent Anodyne O=C(C[C@@H]1S/C(=N\C2CC2)N(N=Cc2ccccn2)C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000254591159 JI Agent Anodyne O=C(C[C@H]1S/C(=N/C2CC2)N(N=Cc2ccccn2)C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000254591160 JI Agent Anodyne O=C(C[C@@H]1S/C(=N/C2CC2)N(N=Cc2ccccn2)C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000254591161 JI Agent Anodyne O=C(C[C@H]1S/C(=N\C2CC2)N(N=Cc2ccccn2)C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000254591162 JI Agent Anodyne COc1cccc(C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)c1OCc1ccccc1 ZINC000254592309 JI Agent Anodyne COc1cccc(C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)c1OCc1ccccc1 ZINC000254592312 JI Agent Anodyne C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)NN=Cc1cccc(OC)c1 ZINC000254592661 JI Agent Anodyne C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)NN=Cc1cccc(OC)c1 ZINC000254592664 JI Agent Anodyne COc1cc2c(cc1/C=C\C(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@@H]1CCCO1)O[C@H](C)C2 ZINC000254594323 JI Agent Anodyne Fc1ccc(NC(=S)NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(F)c1 ZINC000254594359 JI Agent Mild O=S(=O)(c1cc(N=C/C(Br)=C\c2ccccc2)ccc1Cl)N1CCOCC1 ZINC000254596839 JI Agent Anodyne O=S(=O)(c1cc(N=C/C(Br)=C/c2ccccc2)ccc1Cl)N1CCOCC1 ZINC000254596841 JI Agent Anodyne Cc1cccc(OCC(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)c1C ZINC000254597532 JI Agent Reactive CCOc1ccc(OCc2ccc(C(=O)NN=C3CCS(=O)(=O)c4ccc(F)cc43)cc2)cc1 ZINC000254606848 JI Agent Reactive COc1ccc(C(C)=NOCc2nc3c4c5c(sc4ncn3n2)C(C)(C)NC(C)(C)C5)cc1OC ZINC000254607265 JI Agent Mild Cn1c2ccccc2c2cc(C(=O)NN=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)sc21 ZINC000254615029 JI Agent Reactive CCOC(=O)c1ccc(-c2ccc(C=c3sc(=CC(=O)c4ccc(Cl)cc4)[nH]c3=O)o2)cc1 ZINC000254615630 JI Agent Anodyne O=S(=O)(NC[C@H](Sc1nncn1N=Cc1ccco1)c1ccccc1)c1ccc(Cl)cc1 ZINC000254616828 JI Agent Anodyne O=S(=O)(NC[C@@H](Sc1nncn1N=Cc1ccco1)c1ccccc1)c1ccc(Cl)cc1 ZINC000254616831 JI Agent Anodyne CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000254616922 JI Agent Anodyne CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000254616923 JI Agent Anodyne CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000254616924 JI Agent Anodyne CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000254616925 JI Agent Anodyne Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 ZINC000254622289 JI Agent Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(SCC(=O)O)c1C=NNC(=O)c1ccccc1O ZINC000254623129 JI Agent Anodyne CCCCCn1c(=NC(=O)c2ccc(C)c(C)c2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000254623721 JI Agent Bother COCCCN1C(=O)[C@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(Cl)cc1 ZINC000254624415 JI Agent Anodyne COCCCN1C(=O)[C@@H](CC(=O)Nc2cc(OC)ccc2OC)SC1=Nc1ccc(Cl)cc1 ZINC000254624418 JI Agent Anodyne COc1cc(S(=O)(=O)N2CCOCC2)ccc1N=Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000254624946 JI Agent Mild Cc1ccc(-n2c(SCC(=O)NN=Cc3cccn3C)nnc2-c2ccc(Cl)cc2)cc1 ZINC000254625314 JI Agent Anodyne COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C(C)c3ccc(OC(F)F)cc3)c2)cc1 ZINC000254625515 JI Agent Reactive Cc1ccccc1-n1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cccc(Br)c2)c1=O ZINC000254625587 JI Agent Anodyne O=C(Cn1cnc2ccccc21)NN=Cc1sc(N2CCCCC2)nc1-c1cccs1 ZINC000254626023 JI Agent Reactive CCCCN(CCCC)CN1C(=O)C(=NNC(=O)c2ccc(OC)c(OC)c2)c2ccccc21 ZINC000254626639 JI Agent Reactive Cc1ccccc1-n1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccc(Br)cc2)c1=O ZINC000254629180 JI Agent Anodyne CC(CC(=O)Nc1ccccc1)=NNC(=O)COc1cc(C)c(Br)cc1Br ZINC000254629937 JI Agent Anodyne COCCN=c1scc(-c2ccc(OC)cc2)n1N=Cc1cc(Br)c(O)c(OC)c1 ZINC000254630298 JI Agent Anodyne Cc1ccc(C(=O)Oc2cccc(C=N/N=C3\NC(=O)[C@@H](CC(=O)Nc4ccccc4)S3)c2)cc1 ZINC000254632491 JI Agent Anodyne Cc1ccc(C(=O)Oc2cccc(C=N/N=C3\NC(=O)[C@H](CC(=O)Nc4ccccc4)S3)c2)cc1 ZINC000254632499 JI Agent Anodyne Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000254635160 JI Agent Reactive COc1ccc(C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1OCc1ccccc1 ZINC000254654258 JI Agent Anodyne COc1ccc(C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)cc1OCc1ccccc1 ZINC000254654266 JI Agent Anodyne CC(=NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(-n2ccnc2)cc1 ZINC000254671943 JI Agent Anodyne O=C(NN=C1C(=O)N(CN2CCCC2)c2ccc(Br)cc21)c1cccc2ccccc12 ZINC000254672379 JI Agent Anodyne Cc1cc(C)c(C=NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)c1 ZINC000254696328 JI Agent Reactive CC(C)(C)C(=O)C=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1Cc1ccc(C#N)cc1 ZINC000254697922 JI Agent Anodyne C=CCn1c(S[C@@H](C)C(=O)NN=Cc2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 ZINC000254699987 JI Agent Anodyne C=CCn1c(S[C@H](C)C(=O)NN=Cc2ccc3c(c2)OCO3)nnc1-c1ccc(Cl)cc1 ZINC000254699988 JI Agent Anodyne CCOc1ccc(Oc2c(C=NN3C(=O)N[C@](C)(CC)C3=O)c(C)nn2-c2ccccc2)cc1 ZINC000254704037 JI Agent Mild CCOc1ccc(Oc2c(C=NN3C(=O)N[C@@](C)(CC)C3=O)c(C)nn2-c2ccccc2)cc1 ZINC000254704038 JI Agent Mild O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCCSC3=Nc3ccccc3)ccc21 ZINC000254705509 JI Agent Mild COCCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=C(C)c1ccc(OC)cc1O ZINC000254706222 JI Agent Mild Cn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2ccccc21 ZINC000254707252 JI Agent Anodyne CCOc1cc(C=Nn2cnc3ccccc3c2=O)cc(Cl)c1OCC(=O)NCc1ccccc1 ZINC000254710513 JI Agent Anodyne CCn1cc(C(=O)NN=Cc2ccccc2)c(=O)c2cc(F)c(NN=Cc3ccccc3)cc21 ZINC000254721746 JI Agent Reactive CCn1c(C)nc2cc(C(=O)NN=Cc3sc(N4CCOCC4)nc3-c3ccccc3)ccc21 ZINC000254729828 JI Agent Reactive COc1ccc(C=Nn2cnnc2S)cc1COc1ccc(Br)cc1Cl ZINC000254733184 JI Agent Anodyne C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N=c3c4ccccc4nc4n3CCCCC4)cc2)C1 ZINC000254733906 JI Agent Anodyne C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N=c3c4ccccc4nc4n3CCCCC4)cc2)C1 ZINC000254733907 JI Agent Anodyne C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N=c3c4ccccc4nc4n3CCCCC4)cc2)C1 ZINC000254733908 JI Agent Anodyne COc1ccc(NCC(=O)NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)cc1 ZINC000254735100 JI Agent Reactive Cc1ccc(-n2c(=C(C#N)C(=O)c3ccccc3)sc(=Cc3ccc(C)s3)c2=O)c(C)c1 ZINC000254735296 JI Agent Anodyne O=C(NN=Cc1cccc(Br)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000254735714 JI Agent Anodyne COc1ccccc1-c1nnc(S)n1N=Cc1ccc(Br)c(O)c1Br ZINC000254735771 JI Agent Anodyne CCN(CC)S(=O)(=O)c1cccc(C(=O)N=C2N=C3C=CC(Cl)=CN3Cc3ccccc32)c1 ZINC000254735847 JI Agent Mild CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000254735911 JI Agent Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl ZINC000254736157 JI Agent Anodyne Cc1ccc(-c2ccc(C=NNC(=O)CSc3nnnn3-c3ccccc3)o2)cc1Cl ZINC000254736705 JI Agent Anodyne CCOC(=O)COc1c(I)cc(C=NNc2ccccc2)cc1OCC ZINC000254736733 JI Agent Anodyne O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N=c1ccccn1Cc1ccccc1 ZINC000254736867 JI Agent Anodyne CC(=NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccc(O)cc1 ZINC000254736870 JI Agent Reactive COc1c(Br)cc(Br)cc1C=NNC(=O)CNc1ccc(C)cc1 ZINC000254737533 JI Agent Anodyne N#CC(=NNc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1)c1ccccn1 ZINC000254737769 JI Agent Mild CC(=O)N(c1nc(C=NNS(=O)(=O)c2cc(C)ccc2C)cs1)c1ccc(F)cc1F ZINC000254738196 JI Agent Mild C=CCn1c(S[C@@H](C)C(=O)NN=Cc2ccc(O)cc2)nnc1-c1ccc(Br)cc1 ZINC000254738835 JI Agent Anodyne C=CCn1c(S[C@H](C)C(=O)NN=Cc2ccc(O)cc2)nnc1-c1ccc(Br)cc1 ZINC000254738836 JI Agent Anodyne COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1S/C(=N\N=C(C)c2ccc(F)cc2)NC1=O ZINC000254739464 JI Agent Mild COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1S/C(=N\N=C(C)c2ccc(F)cc2)NC1=O ZINC000254739465 JI Agent Mild Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000254740802 JI Agent Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNC(=O)[C@H]1COc2ccccc2O1 ZINC000254740803 JI Agent Anodyne CCOc1ccc(S(=O)(=O)NN=Cc2c(C)c(C(=O)c3ccc(F)cc3)n3ccccc23)cc1 ZINC000254741050 JI Agent Mild COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2c(C)nc3ccccn23)cc1OC ZINC000254742130 JI Agent Reactive COCCN=c1scc(-c2ccc(Br)s2)n1N=Cc1ccc(OC)cc1 ZINC000254742540 JI Agent Anodyne CCOC(=O)c1c(C)[nH]c(C=NNC(=S)NCc2ccco2)c1Cc1cccc(Cl)c1 ZINC000254743418 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(sc(=Cc3ccccc3)c2=O)=N1 ZINC000254744173 JI Agent Anodyne CCCN(CCC)CN1C(=O)C(=NNC(=O)COc2cc(C)ccc2C(C)C)c2ccccc21 ZINC000254744231 JI Agent Reactive COc1ccccc1OCC(=O)NN=Cc1c(C)c(C(=O)c2ccc(F)cc2)n2ccccc12 ZINC000254745431 JI Agent Reactive CC(C)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C=3C#N)cc1 ZINC000254748761 JI Agent Reactive CC(C)c1ccc(C=c2sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(C(C)C)cc2)C=3C#N)cc1 ZINC000254748763 JI Agent Reactive Cc1cccc(C)c1-n1c(=C(C#N)C(=O)c2c(C)[nH]c3ccccc23)sc(=Cc2ccncc2)c1=O ZINC000254749541 JI Agent Anodyne O=C(C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)n1ccccc1=NC1CCCCC1 ZINC000254749675 JI Agent Anodyne O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)n1ccccc1=NC1CCCCC1 ZINC000254749678 JI Agent Anodyne O=C(NN=Cc1ccccc1C(F)(F)F)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000254753193 JI Agent Reactive COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)cc1 ZINC000254753880 JI Agent Mild COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccco2)cc1 ZINC000254753882 JI Agent Mild C=CCc1cccc(C=NNc2nnc(SCC(=O)C3C4CC5CC(C4)CC3C5)[nH]2)c1O ZINC000254756894 JI Agent Anodyne Cc1ccsc1C=Nn1c(C)csc1=Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000254756932 JI Agent Anodyne COc1ccc2ccccc2c1[C@H]1C(C(C)=O)=C(C)N=c2sc(=Cc3c[nH]c4ccccc34)c(=O)n21 ZINC000254757018 JI Agent Mild COc1ccc(C=NOCc2nc3c4c5c(sc4ncn3n2)C(C)(C)NC(C)(C)C5)cc1OC ZINC000254757088 JI Agent Mild C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)C(=Nc2cccc(S(=O)(=O)N(C)C)c2)S1 ZINC000254758420 JI Agent Anodyne C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)C(=Nc2cccc(S(=O)(=O)N(C)C)c2)S1 ZINC000254758424 JI Agent Anodyne O=C1C(=c2sc3nc4ccccc4n3c2=O)c2ccccc2N1Cc1cccc(C(F)(F)F)c1 ZINC000254758649 JI Agent Anodyne CCCCCn1c(=NC(=O)/C=C\c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000254759384 JI Agent Bother C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NN=Cc1cc(Cl)cc(Br)c1O ZINC000254760334 JI Agent Anodyne C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NN=Cc1cc(Cl)cc(Br)c1O ZINC000254760337 JI Agent Anodyne O=C(C[C@H]1S/C(=N/N=Cc2ccccc2OCc2ccc(F)cc2)NC1=O)Nc1ccccc1 ZINC000254760667 JI Agent Anodyne O=C(C[C@@H]1S/C(=N/N=Cc2ccccc2OCc2ccc(F)cc2)NC1=O)Nc1ccccc1 ZINC000254760669 JI Agent Anodyne CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000254761289 JI Agent Reactive COc1ccc(-c2nn(-c3ccccc3)cc2C=NN2C(=O)c3ccccc3C2=O)cc1OC ZINC000254761542 JI Agent Mild CCCN(CCC)CN1C(=O)C(=NNC(=O)c2ccccc2)c2cc(Br)ccc21 ZINC000254763310 JI Agent Anodyne COCCN=c1scc(-c2ccc(Br)cc2)n1N=Cc1ccc2c(c1)OCCO2 ZINC000254764203 JI Agent Anodyne O=S(=O)(c1ccc(-c2csc(=Nc3cccc(C(F)(F)F)c3)n2CCO)cc1)N1CCCC1 ZINC000254765294 JI Agent Anodyne O=C(NN=Cc1ccc2c(c1)OCCO2)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000254765430 JI Agent Reactive CCOc1c(Br)cc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1OC ZINC000254765668 JI Agent Anodyne CC(=Nn1c(-c2ccc3c(c2)NC(=O)CO3)csc1=Nc1cccnc1)c1ccc(C#N)cc1 ZINC000254766138 JI Agent Mild COCCN=c1scc(-c2cccc(Br)c2)n1N=Cc1ccc2c(c1)OCO2 ZINC000254767060 JI Agent Anodyne CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000254769701 JI Agent Anodyne CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000254769704 JI Agent Anodyne CCc1cc(C(=O)Nc2cccc(C(C)=NNC(=O)COc3ccc4c(c3)OCO4)c2)cs1 ZINC000254772165 JI Agent Reactive Cc1onc(-c2ccccc2)c1C(=O)NN=Cc1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000254789609 JI Agent Reactive Cc1ccc(N(CCC(=O)N=c2sc3ccccc3n2C)S(=O)(=O)c2ccccc2)cc1 ZINC000254790397 JI Agent Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNC(=S)NC[C@H]1CCCO1 ZINC000254792779 JI Agent Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNC(=S)NC[C@@H]1CCCO1 ZINC000254792781 JI Agent Anodyne CCN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2)SC1=Nc1ccc(OC)cc1 ZINC000254792808 JI Agent Anodyne CC(/C=C\c1ccc(N(C)C)cc1)=NNC(=N)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000254793631 JI Agent Anodyne CC(/C=C\c1ccc(N(C)C)cc1)=NNC(=N)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000254793633 JI Agent Anodyne CC(/C=C/c1ccc(N(C)C)cc1)=NNC(=N)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000254793635 JI Agent Anodyne CC(/C=C/c1ccc(N(C)C)cc1)=NNC(=N)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000254793637 JI Agent Anodyne COCc1cc(C)nc(NN=Cc2ccc(C=NNc3nc(C)cc(COC)c3C#N)cc2)c1C#N ZINC000254794091 JI Agent Mild CC(/C=C/c1ccc(N(C)C)cc1)=NNC(=N)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000254795896 JI Agent Anodyne CC(/C=C/c1ccc(N(C)C)cc1)=NNC(=N)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000254795898 JI Agent Anodyne CC(/C=C\c1ccc(N(C)C)cc1)=NNC(=N)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000254795899 JI Agent Anodyne CC(/C=C\c1ccc(N(C)C)cc1)=NNC(=N)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000254795901 JI Agent Anodyne CCOCCCn1c(=NC(=O)c2ccc(C(C)(C)C)cc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000254796103 JI Agent Bother N#Cc1ccc(OCc2ccc(C=NNS(=O)(=O)c3cc(Cl)ccc3Cl)o2)cc1 ZINC000254800869 JI Agent Anodyne COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(C[C@H]3CCCO3)C2=O)c1 ZINC000254808479 JI Agent Anodyne COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(C[C@H]3CCCO3)C2=O)c1 ZINC000254808481 JI Agent Anodyne COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3c(C)cccc3C)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000254808483 JI Agent Anodyne COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3c(C)cccc3C)N(C[C@@H]3CCCO3)C2=O)c1 ZINC000254808485 JI Agent Anodyne CC(=NNc1ncnc2sc(C)c(C)c12)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000254812542 JI Agent Mild COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccccc3)N(CCc3ccccn3)C2=O)c1 ZINC000254812563 JI Agent Mild COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccccc3)N(CCc3ccccn3)C2=O)c1 ZINC000254812564 JI Agent Mild Cc1ccc(N=Cc2ccc(N3CCC(c4ccccc4)=N3)cc2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000254814910 JI Agent Mild CCOC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c(=O)c(=Cc3ccc(N(C)C)cc3)sc12 ZINC000254815640 JI Agent Anodyne N#CC(c1ccccn1)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1-c1ccccc1 ZINC000254816501 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(sc(=Cc3ccc(F)cc3)c2=O)=N1 ZINC000254816923 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(sc(=Cc3ccc(F)cc3)c2=O)=N1 ZINC000254816925 JI Agent Anodyne CCCCN(CCCC)CN1C(=O)C(=NNC(=O)c2ccccn2)c2cc(Br)ccc21 ZINC000254817537 JI Agent Anodyne O=C(O)c1cc(-c2ccc(C=NNc3nc4nonc4nc3Nc3ccc(F)cc3)o2)ccc1O ZINC000254819667 JI Agent Mild C[C@H]1CN(C(=O)CCCSc2ccccc2)C(=Nc2cccc(S(=O)(=O)N(C)C)c2)S1 ZINC000254819881 JI Agent Mild O=C(CNc1cccc(Br)c1)NN=Cc1cc(Br)c(Br)o1 ZINC000254820939 JI Agent Anodyne COc1cccc(N=Cc2cc(I)cc(I)c2O)c1 ZINC000254824674 JI Agent Anodyne COC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)SC1=Nc1ccc(OC)cc1 ZINC000254824715 JI Agent Anodyne COC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)SC1=Nc1ccc(OC)cc1 ZINC000254824717 JI Agent Anodyne COC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)SC1=Nc1ccc(OC)cc1 ZINC000254824719 JI Agent Anodyne COC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)SC1=Nc1ccc(OC)cc1 ZINC000254824721 JI Agent Anodyne Cc1ccc(NC(=O)Cn2c(=CC(=O)C(C)(C)C)sc(=Cc3ccc(Cl)cc3)c2=O)cc1C ZINC000254824981 JI Agent Anodyne Cn1cnnc1SCc1ccc(C(=O)NN=C(CCC(=O)O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000254825169 JI Agent Reactive O=C(CSc1nn(Cc2ccccc2)c(=NCc2ccccc2)s1)NC(=O)NC1CCCCC1 ZINC000254825293 JI Agent Anodyne CN(CCS(=O)(=O)OCC(F)(F)F)c1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000254825398 JI Agent Mild COc1cc(C=NOCC(=O)NC2CCCCC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000254826316 JI Agent Mild CC(=NNC(=O)Cc1csc(C)n1)c1ccc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000254826759 JI Agent Reactive CCOc1cc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)ccc1OCC(=O)N(C)C ZINC000254828033 JI Agent Mild O=C(NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1)c1cc2ccccc2cc1O ZINC000254828910 JI Agent Reactive O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCCSC1=Nc1ccccc1Cl ZINC000254833699 JI Agent Anodyne O=C(CSc1nc2ccccc2s1)NN=Cc1cc2c(cc1Br)OCO2 ZINC000254834506 JI Agent Anodyne Cc1cc(C(C)(C)C)ccc1OCC(=O)NN=C1C(=O)N(C)c2c(C)cc(Br)cc21 ZINC000254835746 JI Agent Anodyne COCCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=C(C)c1ccc2c(c1)OCO2 ZINC000254837520 JI Agent Mild O=C(NN=Cc1ccncc1)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000254837604 JI Agent Reactive O=C(NN=Cc1ccncc1)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000254837605 JI Agent Reactive O=C(NN=Cc1ccncc1)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000254837606 JI Agent Reactive O=C(N=c1sccn1Cc1ccccc1F)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000254838170 JI Agent Anodyne O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 ZINC000254840086 JI Agent Anodyne O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 ZINC000254840088 JI Agent Anodyne O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1 ZINC000254840092 JI Agent Anodyne O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1 ZINC000254840096 JI Agent Anodyne CCCCCn1c(=NC(=O)c2ccc(C)c(C)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000254840753 JI Agent Bother COc1ccc(O)c(C=NNC(=O)CNc2c(Br)cc(Cl)cc2Br)c1 ZINC000254841080 JI Agent Anodyne CC(=NNC(=S)Nc1cccc(C)c1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000254841516 JI Agent Mild C[C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)C(=Nc2ccc(Cl)c(Cl)c2)S1 ZINC000254841804 JI Agent Anodyne C[C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)C(=Nc2ccc(Cl)c(Cl)c2)S1 ZINC000254841807 JI Agent Anodyne O=C(N=C1N=C2C=CC=CN2Cc2ccccc21)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000254842467 JI Agent Mild N=C(NN=Cc1ccc(Cl)cc1)S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000254842668 JI Agent Anodyne N=C(NN=Cc1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000254842669 JI Agent Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNC(=O)[C@H]1COc2ccccc2O1 ZINC000254843119 JI Agent Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000254843120 JI Agent Anodyne COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2ccccn2)cc1 ZINC000254843276 JI Agent Mild COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCc2ccccn2)cc1 ZINC000254843277 JI Agent Mild Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000254843600 JI Agent Reactive Cc1ccc(OCC(=O)NN=C2C(=O)N(CCCOc3ccccc3C)c3ccccc32)cc1 ZINC000254843774 JI Agent Reactive CCCCCn1c(=NC(=O)/C=C/c2ccccc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000254843846 JI Agent Bother CCCCCn1c(=NC(=O)/C=C\c2ccccc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000254843847 JI Agent Bother CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000254844207 JI Agent Anodyne O=C(COc1ccccc1C=N/N=C1\C(=O)Nc2ccc(Br)cc21)Nc1ccccc1 ZINC000254846894 JI Agent Anodyne CCCCOc1ccc(N2C(=O)C[C@H](SC(=N)NN=C(C)c3ccc(OC)cc3)C2=O)cc1 ZINC000254846898 JI Agent Anodyne CCCCOc1ccc(N2C(=O)C[C@@H](SC(=N)NN=C(C)c3ccc(OC)cc3)C2=O)cc1 ZINC000254846900 JI Agent Anodyne COc1ccc([C@@]2(C)NC(=O)N(N=Cc3cn(-c4ccccc4)nc3-c3cccs3)C2=O)cc1 ZINC000254852309 JI Agent Mild COc1ccc([C@]2(C)NC(=O)N(N=Cc3cn(-c4ccccc4)nc3-c3cccs3)C2=O)cc1 ZINC000254852310 JI Agent Mild CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)o2)n2c(sc(=Cc3ccc(F)cc3)c2=O)=N1 ZINC000254852656 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)o2)n2c(sc(=Cc3ccc(F)cc3)c2=O)=N1 ZINC000254852659 JI Agent Anodyne CS(=O)(=O)c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1 ZINC000254852709 JI Agent Mild Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000254853228 JI Agent Anodyne COc1ccccc1OCC(=O)NN=Cc1sc(N2CCCCC2)nc1-c1cccs1 ZINC000254854416 JI Agent Reactive C=C(C)C/N=C1\S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1N=Cc1cccc(O)c1O ZINC000254856970 JI Agent Anodyne C=C(C)C/N=C1/S[C@@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1N=Cc1cccc(O)c1O ZINC000254856972 JI Agent Anodyne C=C(C)C/N=C1/S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1N=Cc1cccc(O)c1O ZINC000254856975 JI Agent Anodyne C=C(C)C/N=C1\S[C@H](CC(=O)Nc2cccc3ccccc23)C(=O)N1N=Cc1cccc(O)c1O ZINC000254856977 JI Agent Anodyne CCn1c(-c2cc(OC)ccc2OC)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254858915 JI Agent Anodyne O=C(COC(=O)CNS(=O)(=O)/C=C\c1ccccc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254863184 JI Agent Clean Cc1ccc(Cn2ccsc2=NC(=O)CSc2nnc3sc4ccccc4n23)cc1 ZINC000254865124 JI Agent Anodyne O=C(CCn1nc(C(F)(F)F)cc1C1CC1)NN=Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000254865243 JI Agent Anodyne CN=c1scc(-c2ccc(Br)cc2)n1N=Cc1cc(OC)c(OC)c(OC)c1 ZINC000254866184 JI Agent Anodyne CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)SC1=Nc1ccc(I)cc1 ZINC000254866262 JI Agent Anodyne CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)SC1=Nc1ccc(I)cc1 ZINC000254866264 JI Agent Anodyne COc1ccc(C=NNC(=O)[C@@]2(C)CC[C@H](c3nc4ccccc4[nH]3)C2(C)C)c(C(=O)O)c1OC ZINC000254867227 JI Agent Reactive COc1ccc(C=NNC(=O)[C@]2(C)CC[C@H](c3nc4ccccc4[nH]3)C2(C)C)c(C(=O)O)c1OC ZINC000254867230 JI Agent Reactive COc1ccc(C=NNC(=O)[C@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)c(C(=O)O)c1OC ZINC000254867232 JI Agent Reactive COc1ccc(C=NNC(=O)[C@@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)c(C(=O)O)c1OC ZINC000254867234 JI Agent Reactive Cc1ncc(CO)c(C=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c1O ZINC000254867429 JI Agent Reactive COCCN=c1scc(-c2ccc(Br)cc2)n1N=Cc1ccc2c(c1)OCO2 ZINC000254868163 JI Agent Anodyne O=C(NN=Cc1cccc(OC(=O)c2ccco2)c1)/C(=C\c1cccs1)NC(=O)c1ccccc1 ZINC000254868391 JI Agent Reactive O=C(NN=Cc1cccc(OC(=O)c2ccco2)c1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000254868393 JI Agent Reactive CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)o2)n2c(sc(=Cc3cccs3)c2=O)=N1 ZINC000254868501 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)o2)n2c(sc(=Cc3cccs3)c2=O)=N1 ZINC000254868505 JI Agent Anodyne COC(=O)CCc1c(C)nn(-c2ccc(C(=O)n3ccccc3=NC3CCCCC3)cc2)c1C ZINC000254868872 JI Agent Anodyne O=c1nc2sc(=Cc3ccc(-c4ccccc4F)o3)c(=O)n2c2sc3c(c12)CCCC3 ZINC000254868896 JI Agent Anodyne O=C(NN=Cc1ccc(OC(=O)c2ccco2)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 ZINC000254870901 JI Agent Reactive O=C(NN=Cc1ccc(OC(=O)c2ccco2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000254870902 JI Agent Reactive Clc1ccc(-c2ccc(C=NNc3nc(N4CCCC4)nc(N4CCOCC4)n3)o2)c(Cl)c1 ZINC000254871857 JI Agent Anodyne COc1ccc([C@@]2(C)NC(=O)N(N=Cc3c(C)nn(-c4cccc(Cl)c4)c3Cl)C2=O)cc1 ZINC000254873158 JI Agent Anodyne COc1ccc([C@]2(C)NC(=O)N(N=Cc3c(C)nn(-c4cccc(Cl)c4)c3Cl)C2=O)cc1 ZINC000254873160 JI Agent Anodyne CN(CCN(C)N=Cc1ccc(Br)cc1)N=Cc1ccc(Br)cc1 ZINC000254873589 JI Agent Anodyne C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC)cc2)SC1=Nc1ccc(C(=O)OCC)cc1 ZINC000254874974 JI Agent Anodyne C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC)cc2)SC1=Nc1ccc(C(=O)OCC)cc1 ZINC000254874978 JI Agent Anodyne O=C(COc1cccc(Br)c1)NN=Cc1ccc(OC(=O)/C=C\c2ccco2)cc1 ZINC000254875218 JI Agent Anodyne O=C(COc1cccc(Br)c1)NN=Cc1ccc(OC(=O)/C=C/c2ccco2)cc1 ZINC000254875219 JI Agent Anodyne COc1cc(C=NNS(=O)(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccs1 ZINC000254875239 JI Agent Anodyne CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NN=Cc1ccc(Br)cc1 ZINC000254875657 JI Agent Anodyne CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)s2)cc1 ZINC000254875700 JI Agent Anodyne CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(Cl)s2)cc1 ZINC000254875701 JI Agent Anodyne Cc1ccc(Cn2ccsc2=NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1 ZINC000254875754 JI Agent Anodyne CCOc1cc(C=Nn2c(SC)nnc2C(F)F)ccc1OCc1ccc(C(=O)OC)o1 ZINC000254876357 JI Agent Mild CCn1c(SCC(=O)NN=Cc2cnc3ccccc3n2)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000254876507 JI Agent Anodyne CCn1c(SCC(=O)NN=Cc2cnc3ccccc3n2)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000254876508 JI Agent Anodyne CCn1c(SCC(=O)NN=Cc2cnc3ccccc3n2)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000254876509 JI Agent Anodyne CCn1c(SCC(=O)NN=Cc2cnc3ccccc3n2)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000254876510 JI Agent Anodyne CN1C(=O)C(=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c2ccccc21 ZINC000254876998 JI Agent Reactive Cc1ccc(-n2c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc3ccc(OC(F)F)cc3)c2=O)c(C)c1 ZINC000254877148 JI Agent Anodyne COc1ccc(C=NN2C(=O)CSC2=S)cc1COc1cccc(Br)c1 ZINC000254894651 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)n2c(sc(=Cc3ccc(F)cc3)c2=O)=N1 ZINC000254895431 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)n2c(sc(=Cc3ccc(F)cc3)c2=O)=N1 ZINC000254895434 JI Agent Anodyne Cc1ccc(C(=O)Oc2ccccc2C=N/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1 ZINC000254896624 JI Agent Anodyne Cc1ccc(C(=O)Oc2ccccc2C=N/N=C2\NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)cc1 ZINC000254896628 JI Agent Anodyne CCOc1cc(C=NNc2cccc(C(F)(F)F)c2)c(Br)cc1OCC(N)=O ZINC000254908048 JI Agent Anodyne CC(=O)O[C@@H]1C[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](COC(=O)c2ccc(Cl)cc2)O1 ZINC000256010867 JI Agent Anodyne O=C1C[C@H](c2ccccc2)N(Cc2ccncc2)CCCN(C(=O)c2ccc3ccccc3n2)CCN1 ZINC000257176285 JI Agent Anodyne O=C1C[C@@H](c2ccccc2)N(Cc2ccncc2)CCCN(C(=O)c2ccc3ccccc3n2)CCN1 ZINC000257176286 JI Agent Anodyne CCOCCCNC(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCC(=O)Nc1ccccc1 ZINC000257177179 JI Agent Anodyne Cc1cccc(-c2noc(CCC(=O)N3CCC(C)(c4noc(-c5ccncc5)n4)CC3)n2)c1 ZINC000257177694 JI Agent Anodyne O=C1C[C@H](c2ccccc2)N(Cc2ccncc2)CCCN(C(=O)C2(c3ccccc3)CC2)CCN1 ZINC000257177736 JI Agent Anodyne O=C1C[C@@H](c2ccccc2)N(Cc2ccncc2)CCCN(C(=O)C2(c3ccccc3)CC2)CCN1 ZINC000257177737 JI Agent Anodyne O=C1CCN(C(=O)c2ccccc2)CCC[C@@H](C(=O)Nc2ccccc2CCc2ccncc2)CCN1 ZINC000257178331 JI Agent Anodyne O=C1CCN(C(=O)c2ccccc2)CCC[C@H](C(=O)Nc2ccccc2CCc2ccncc2)CCN1 ZINC000257178334 JI Agent Anodyne O=C1NCCCCCCN(C(=O)c2cccs2)[C@H]2C[C@H](c3nc(Cc4ccccc4)no3)C[C@@H]12 ZINC000257178348 JI Agent Anodyne O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)NCc1ccc(F)cc1 ZINC000257178358 JI Agent Anodyne CC(C)c1noc([C@H]2C[C@H]3[C@@H](C2)C(=O)NCCCCCCN3C(=O)CCc2ccccc2)n1 ZINC000257178360 JI Agent Anodyne Cc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)C3(c4ccccc4)CC3)CCNC(=O)CC2)cc1C ZINC000257179297 JI Agent Anodyne Cc1ccc(NC(=O)N2CCC[C@H](CNC(=O)C3(c4ccccc4)CC3)CCNC(=O)CC2)cc1C ZINC000257179299 JI Agent Anodyne O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccccc1)[C@@H]23)NCCc1cccnc1 ZINC000257179389 JI Agent Anodyne Cc1ccc(NC(=O)N2CC[C@@H]3C(=O)NCCCCCCN(Cc4ccncc4)[C@@H]3C2)cc1C ZINC000257179560 JI Agent Anodyne CCn1ccc(C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)Nc2ccccc2)n1 ZINC000257179999 JI Agent Anodyne N#Cc1cccc(C(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](c4nc(Cc5ccccc5)no4)C[C@@H]32)c1 ZINC000257180249 JI Agent Anodyne O=C1NCCCCCCN(C(=O)Cc2ccccc2)[C@H]2C[C@H](c3nc(Cc4ccccc4)no3)C[C@@H]12 ZINC000257180675 JI Agent Anodyne CCN(Cc1ccncc1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1cccnc1)[C@@H]23 ZINC000257181050 JI Agent Anodyne CCCN(CC1CC1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23 ZINC000257183118 JI Agent Anodyne O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccccc1)[C@@H]23)NCCc1ccncc1 ZINC000257183138 JI Agent Anodyne O=C1C[C@H](c2ccccc2)N(Cc2ccncc2)CCCN(C(=O)Nc2ccccc2)CCN1 ZINC000257183506 JI Agent Anodyne O=C1C[C@@H](c2ccccc2)N(Cc2ccncc2)CCCN(C(=O)Nc2ccccc2)CCN1 ZINC000257183508 JI Agent Anodyne Cc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](c4nc(Cc5ccccc5)no4)C[C@@H]32)cn1 ZINC000257183592 JI Agent Anodyne COc1cccc(CN2CCCN(Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC2)c1OC ZINC000257183765 JI Agent Anodyne COc1cccc(CN2CCCN(Cc3ccncc3)[C@H](c3ccccc3)CC(=O)NCC2)c1OC ZINC000257183766 JI Agent Anodyne N#Cc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](c4nc(Cc5ccccc5)no4)C[C@@H]32)cc1 ZINC000257184433 JI Agent Anodyne Cc1ccc(NC(=O)N2CCCN(C(=O)C3CC3)[C@H](c3ccccc3)CC(=O)NCC2)cc1C ZINC000257184493 JI Agent Anodyne Cc1ccc(NC(=O)N2CCCN(C(=O)C3CC3)[C@@H](c3ccccc3)CC(=O)NCC2)cc1C ZINC000257184494 JI Agent Anodyne COc1ccc(C2(C(=O)N3C[C@@H]4CCCN5CCC[C@@H]([C@H]45)[C@H]3CCCC(=O)NCC3CC3)CC2)cc1 ZINC000257184615 JI Agent Anodyne O=C(CCCc1ccccc1)N1CCC2(CC1)C[C@@H](Cc1nc(-c3cccnc3)no1)CCO2 ZINC000257184730 JI Agent Anodyne O=C(CCCc1ccccc1)N1CCC2(CC1)C[C@H](Cc1nc(-c3cccnc3)no1)CCO2 ZINC000257184731 JI Agent Anodyne Cc1nn(Cc2c(C(=O)N3CCCn4nc(-c5ccc(F)cc5)cc4C3)noc2C)c(C)c1C ZINC000257184798 JI Agent Anodyne CC(C)N1CCN(C(=O)CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2Cc2ccccc2)[C@@H]34)CC1 ZINC000257184988 JI Agent Anodyne O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)C1(c4ccccc4)CC1)[C@@H]23)NCC1CC1 ZINC000257185320 JI Agent Anodyne CN(CCCNC(=O)CCC[C@H]1NC[C@@H]2C[C@H]1CN(Cc1ccccc1)C2)C1CCCCC1 ZINC000257185999 JI Agent Anodyne Cc1ccc(C(=O)N2CCCN(Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC2)s1 ZINC000257186425 JI Agent Anodyne Cc1ccc(C(=O)N2CCCN(Cc3ccncc3)[C@H](c3ccccc3)CC(=O)NCC2)s1 ZINC000257186427 JI Agent Anodyne CCOc1ccccc1CN1CCCN(Cc2ccncc2)[C@@H](c2ccccc2)CC(=O)NCC1 ZINC000257186570 JI Agent Anodyne CCOc1ccccc1CN1CCCN(Cc2ccncc2)[C@H](c2ccccc2)CC(=O)NCC1 ZINC000257186571 JI Agent Anodyne CN(Cc1cccnc1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23 ZINC000257187003 JI Agent Anodyne CC1(c2noc(-c3cccnc3)n2)CCN(C(=O)CCC(=O)n2ncc3c(Cl)cccc32)CC1 ZINC000257187016 JI Agent Anodyne N#Cc1ccc(CN2CCCCCCNC(=O)[C@@H]3C[C@@H](C(=O)N4CCc5ccccc5C4)C[C@@H]32)cc1 ZINC000257187548 JI Agent Anodyne Cc1nn(C)c(C)c1CCNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccccc1)[C@@H]23 ZINC000257187940 JI Agent Anodyne O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1ccccc1F)[C@@H]23)NCC1CC1 ZINC000257188309 JI Agent Anodyne O=C1NCCCCCCN(Cc2cccc(F)c2)[C@H]2C[C@H](C(=O)N3CCc4ccccc4C3)C[C@@H]12 ZINC000257188755 JI Agent Anodyne N#Cc1ccccc1CN1CCCCCCNC(=O)[C@@H]2C[C@@H](C(=O)N3CCc4ccccc4C3)C[C@@H]21 ZINC000257188993 JI Agent Anodyne O=C1NCCCCCCN(C(=O)C2CC=CC2)[C@H]2C[C@H](c3nc(Cc4ccccc4)no3)C[C@@H]12 ZINC000257189291 JI Agent Anodyne COc1ccc(CCC(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](c4nc(C(C)C)no4)C[C@@H]32)cc1 ZINC000257189388 JI Agent Anodyne Cc1ccc(NC(=O)NCC(=O)N2CCCCCCNC(=O)C[C@@H]2c2ccccc2)cc1C ZINC000257189395 JI Agent Anodyne Cc1ccc(NC(=O)NCC(=O)N2CCCCCCNC(=O)C[C@H]2c2ccccc2)cc1C ZINC000257189396 JI Agent Anodyne CN(CCc1ccccn1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23 ZINC000257190146 JI Agent Anodyne O=C1C[C@H](c2ccccc2)N(Cc2ccncc2)CCCN(C(=O)Cc2c[nH]c3ccccc23)CCN1 ZINC000257190748 JI Agent Anodyne O=C1C[C@@H](c2ccccc2)N(Cc2ccncc2)CCCN(C(=O)Cc2c[nH]c3ccccc23)CCN1 ZINC000257190749 JI Agent Anodyne Cc1ccccc1Cc1c(C)nc2c(C(=O)N3CCC[C@H](Cc4nncn4CC4CC4)C3)cnn2c1C ZINC000257191843 JI Agent Anodyne Cc1ccccc1Cc1c(C)nc2c(C(=O)N3CCC[C@@H](Cc4nncn4CC4CC4)C3)cnn2c1C ZINC000257191845 JI Agent Anodyne O=C1C[C@H](c2ccccc2)N(Cc2ccncc2)CCCN(C(=O)CC2CCCCC2)CCN1 ZINC000257192267 JI Agent Anodyne O=C1C[C@@H](c2ccccc2)N(Cc2ccncc2)CCCN(C(=O)CC2CCCCC2)CCN1 ZINC000257192268 JI Agent Anodyne O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)NC1CCCCC1 ZINC000257192464 JI Agent Anodyne O=C(O)c1cccc(C(=O)N2CCC([C@@H]3c4nccn4CCCN3CCc3ccccc3)CC2)c1 ZINC000257192528 JI Agent Anodyne O=C(O)c1cccc(C(=O)N2CCC([C@H]3c4nccn4CCCN3CCc3ccccc3)CC2)c1 ZINC000257192529 JI Agent Anodyne COc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](c4nc(C(C)C)no4)C[C@@H]32)cc1F ZINC000257192687 JI Agent Anodyne Cc1ccc(CNC(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)NCC2CC2)cc1 ZINC000257192926 JI Agent Anodyne Cc1ccc(C(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](C(=O)N4CCc5ccccc5C4)C[C@@H]32)s1 ZINC000257193413 JI Agent Anodyne Cc1ccc(CNC(=O)CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)c2ccccc2)[C@@H]34)o1 ZINC000257193484 JI Agent Anodyne O=C1NCCCCCCN(C(=O)C2CCCCC2)[C@H]2C[C@H](C(=O)N3CCc4ccccc4C3)C[C@@H]12 ZINC000257193693 JI Agent Anodyne O=C1NCCCCCCN(C(=O)Nc2ccccc2F)[C@H]2C[C@H](c3nc(-c4cccnc4)no3)C[C@@H]12 ZINC000257194153 JI Agent Anodyne CCN(Cc1ccncc1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23 ZINC000257194202 JI Agent Anodyne COc1cccc(CN2CCCCCCNC(=O)[C@@H]3C[C@@H](C(=O)N4CCc5ccccc5C4)C[C@@H]32)c1 ZINC000257194407 JI Agent Anodyne O=C1C[C@H](c2ccccc2)N(Cc2ccncc2)CCCN(C(=O)Nc2ccccc2F)CCN1 ZINC000257194772 JI Agent Anodyne O=C1C[C@@H](c2ccccc2)N(Cc2ccncc2)CCCN(C(=O)Nc2ccccc2F)CCN1 ZINC000257194773 JI Agent Anodyne Cc1cccc(C(=O)N2CCCCCCNC(=O)[C@@H]3C[C@@H](C(=O)N4CCc5ccccc5C4)C[C@@H]32)c1 ZINC000257194926 JI Agent Anodyne O=C1NCCCCCCN(C(=O)Nc2ccccc2)[C@H]2C[C@H](C(=O)N3CCc4ccccc4C3)C[C@@H]12 ZINC000257195066 JI Agent Anodyne Cc1ccc(CNC(=O)N2CCCN(Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC2)cc1 ZINC000257195164 JI Agent Anodyne Cc1ccc(CNC(=O)N2CCCN(Cc3ccncc3)[C@H](c3ccccc3)CC(=O)NCC2)cc1 ZINC000257195165 JI Agent Anodyne CCn1nccc1C(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCC(=O)Nc1ccccc1 ZINC000257195295 JI Agent Anodyne COc1ccc(C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)NCc2ccccc2)cc1 ZINC000257195337 JI Agent Anodyne O=C(N1CCC2(CC1)C[C@H](Cc1nc(-c3cccnc3)no1)CCO2)C1(c2ccccc2)CC1 ZINC000257195769 JI Agent Anodyne O=C(N1CCC2(CC1)C[C@@H](Cc1nc(-c3cccnc3)no1)CCO2)C1(c2ccccc2)CC1 ZINC000257195770 JI Agent Anodyne Cc1n[nH]c(C)c1CNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccccc1)[C@@H]23 ZINC000257195788 JI Agent Anodyne O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)NCc1ccco1)[C@@H]23)Nc1ccccc1 ZINC000257195802 JI Agent Anodyne Cc1ccc(CN2CCCCCCNC(=O)[C@@H]3C[C@@H](C(=O)N4CCc5ccccc5C4)C[C@@H]32)o1 ZINC000257195989 JI Agent Anodyne Cc1ccc(CNC(=O)CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2Cc2cccnc2)[C@@H]34)o1 ZINC000257196084 JI Agent Anodyne CN(CCc1ccccn1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1cccnc1)[C@@H]23 ZINC000257196094 JI Agent Anodyne O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)NCc1cc(F)cc(F)c1 ZINC000257196480 JI Agent Anodyne O=C1NCCCCCCN(C(=O)NC2CCCCC2)[C@H]2C[C@H](C(=O)N3CCc4ccccc4C3)C[C@@H]12 ZINC000257196567 JI Agent Anodyne CCn1nc(C)c(CNC(=O)CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2Cc2cccnc2)[C@@H]34)c1C ZINC000257196814 JI Agent Anodyne Cc1ccccc1CNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23 ZINC000257197195 JI Agent Anodyne CCCOO[C@@H]1[C@H](Sc2ccc(C)cc2)O[C@H](C(=O)OC)[C@@H](OOCCC)[C@H]1OOCCC ZINC000261508189 JI Agent Reactive CCCOO[C@@H]1[C@H](Sc2ccc(C)cc2)O[C@H](C(=O)OC)[C@@H](OOCCC)[C@@H]1OOCCC ZINC000261508190 JI Agent Reactive CCCOO[C@@H]1[C@H](Sc2ccc(C)cc2)O[C@H](C(=O)OC)[C@H](OOCCC)[C@@H]1OOCCC ZINC000261508191 JI Agent Reactive CCCOO[C@@H]1[C@H](Sc2ccc(C)cc2)O[C@H](C(=O)OC)[C@H](OOCCC)[C@H]1OOCCC ZINC000261508192 JI Agent Reactive CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)n2c(sc(=Cc3ccc(C)o3)c2=O)=N1 ZINC000263622027 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)n2c(sc(=Cc3ccc(C)o3)c2=O)=N1 ZINC000263622028 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)o2)n2c(sc(=Cc3ccccc3)c2=O)=N1 ZINC000263626591 JI Agent Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)o2)n2c(sc(=Cc3ccccc3)c2=O)=N1 ZINC000263626592 JI Agent Anodyne Cn1c(=NS(=O)(=O)c2cc(Br)ccc2Br)sc2ccccc21 ZINC000263626801 JI Agent Anodyne CSc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(-c3ccc(C)cc3)c2=O)cc1 ZINC000263626858 JI Agent Anodyne Cc1[nH]c2ccccc2c1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)cc1 ZINC000263627466 JI Agent Anodyne COc1ccc(S(=O)(=O)NN=C(C)c2ccc(NC(=O)c3sccc3C)cc2)c(OC)c1 ZINC000263627931 JI Agent Mild C=CCNC(=S)NN=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2Cl)CC1 ZINC000263628867 JI Agent Anodyne COc1cc(C=NNc2ccc3nnc(-c4c(F)cccc4Cl)n3n2)cc(OC)c1OC ZINC000263630241 JI Agent Anodyne C/C(=C(/C#N)P(=NN=Nc1ccccc1)(N1CCOCC1)N1CCOCC1)N1CCCC1 ZINC000263631671 JI Agent Reactive O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1cc2ccccc2oc1=O ZINC000263632338 JI Agent Mild O=C1C(=c2sc3nc4ccccc4n3c2=O)c2cc(Br)ccc2N1Cc1ccccc1 ZINC000263632606 JI Agent Anodyne C[C@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1cc(Br)cc(Br)c1O ZINC000003079822 JI Agent Reactive C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1cc(Br)cc(Br)c1O ZINC000003079824 JI Agent Reactive CCOC(=O)[C@](NS(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C ZINC000003103518 JI Agent Anodyne O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc2c(cc1Br)OCO2 ZINC000003150207 JI Agent Reactive O=P(O)(O)NP(=O)(Oc1ccc(Br)cc1)Oc1ccc(Br)cc1 ZINC000003172388 JI Agent Anodyne C=CCc1ccccc1Oc1cc(F)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1 ZINC000003173106 JI Agent Mild Cc1ccc(S(=O)(=O)/N=C(\O)c2c(C)c(/C=C/C(=O)C(F)(F)F)n3ccccc23)cc1 ZINC000003193897 JI Agent Mild COc1ccc(NC(=O)C(=O)C2=C(N3CCOCC3)/C(=C/c3ccc(Br)cc3)CC2)cc1 ZINC000003208033 JI Agent Mild COc1ccc(OC)c(/C=N/N=C/C2=C(N3CCOCC3)/C(=C/c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000003208620 JI Agent Anodyne COc1cc(/C=C/C(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000003211364 JI Agent Anodyne O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000003212317 JI Agent Reactive CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000003213034 JI Agent Reactive O=C(/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003218760 JI Agent Mild O=[N+]([O-])c1cccc(/C=C2\CCC(/C=N/N=C/c3cnc4ccccc4n3)=C2N2CCOCC2)c1 ZINC000003219661 JI Agent Mild N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003221331 JI Agent Reactive N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003238532 JI Agent Reactive N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003238533 JI Agent Reactive N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003238536 JI Agent Reactive N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000003238537 JI Agent Reactive O=C(COC(=O)C1CCN(/C=C/C(=O)C(F)(F)F)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003241250 JI Agent Mild COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc(OC)c1OC ZINC000003242772 JI Agent Anodyne O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCC(=O)c1ccc(Cl)s1 ZINC000003246891 JI Agent Anodyne O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 ZINC000003250613 JI Agent Reactive COc1ccc(C(C)=O)cc1COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000003255065 JI Agent Anodyne N#C/C(=C(\OCC(=O)c1ccc(Br)cc1)C(F)(F)F)c1nnc2n1CCCCC2 ZINC000003263794 JI Agent Reactive COc1ccc(/C=C2\SC(=S)N(CC(=O)OCC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1 ZINC000003264530 JI Agent Clean O=C(O)/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000003264687 JI Agent Bother O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(C(=O)c2ccco2)CC1 ZINC000003266897 JI Agent Anodyne COc1cccc(/C=N/N=C/C2=C(N3CCOCC3)/C(=C/c3ccc([N+](=O)[O-])cc3)CC2)c1OC ZINC000003268283 JI Agent Anodyne Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000003278967 JI Agent Anodyne CCc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N(C)C4CCCCC4)nnc23)cc1 ZINC000003280402 JI Agent Anodyne CSc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(I)cc2)cc1 ZINC000003283079 JI Agent Anodyne C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n(Cc4ccco4)c3C)nnc12 ZINC000003283135 JI Agent Mild CCc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N(C(C)C)C(C)C)nnc23)cc1 ZINC000003284262 JI Agent Anodyne C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(Cl)cc3Cl)nnc12 ZINC000003288125 JI Agent Mild N#CCCN(C(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1ccccc1 ZINC000003290906 JI Agent Mild C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(C)cc3Br)nnc12 ZINC000003292016 JI Agent Mild COc1ccc(/C=C2\N=C(SCC(=O)NC(=O)NC(C)(C)C)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000003292174 JI Agent Anodyne CCOc1ccccc1NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 ZINC000003292328 JI Agent Anodyne O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)NCc1ccc(Cl)cc1 ZINC000003293631 JI Agent Anodyne C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(Cc3ccccc3)C(C)(C)C)nnc12 ZINC000003293635 JI Agent Mild C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(Cl)ccc3Cl)nnc12 ZINC000003293701 JI Agent Mild C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(c3ccccc3)c3ccccc3)nnc12 ZINC000003294457 JI Agent Mild C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3c(Cl)cccc3Cl)nnc12 ZINC000003294716 JI Agent Mild O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)NCc1ccccc1Cl ZINC000003294802 JI Agent Anodyne C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(N(CC)C(C)C)cc3)nnc12 ZINC000003294808 JI Agent Mild C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)nnc12 ZINC000003296079 JI Agent Mild aggregator C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)nnc12 ZINC000003296081 JI Agent Mild aggregator CCOc1cc(/C=N/N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc(Br)c1O ZINC000003299183 JI Agent Mild C=CCn1c(=O)c2ccccc2n2c(SCCOc3ccc(Br)cc3)nnc12 ZINC000003300057 JI Agent Mild Cc1c(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc(C#N)n1C ZINC000003300585 JI Agent Reactive Cc1nc2ccccc2c2c(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c3ccccc3n12 ZINC000003305513 JI Agent Bother CN(Cc1ccccc1)C(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000003306029 JI Agent Anodyne CC(C)CN(CC(C)C)C(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 ZINC000003312202 JI Agent Anodyne CCCN(CC1CC1)C(=O)CSc1nnc2n(-c3ccc(C)cc3)c(=O)c3ccccc3n12 ZINC000003318828 JI Agent Anodyne C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(Br)s3)nnc12 ZINC000003319685 JI Agent Mild O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1c[nH]c2ccccc12 ZINC000003323371 JI Agent Anodyne Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000003324817 JI Agent Reactive Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCc3nc4ccccc4c(=O)n3CC#N)c2Cl)cc1 ZINC000003328184 JI Agent Mild Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1 ZINC000003332081 JI Agent Mild COc1ccc(NC(=S)NCCN2C(=O)S/C(=C\c3cccc(Br)c3)C2=O)cc1 ZINC000003332949 JI Agent Anodyne COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)/C=C/c1c(Cl)nc2ccccn12 ZINC000003334253 JI Agent Anodyne CNC(=O)COC(=O)/C(=C/c1cc(OC)c(OC)c(OC)c1)c1ccc(-c2ccccc2)cc1 ZINC000003336984 JI Agent Anodyne CCOCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O ZINC000003337449 JI Agent Reactive C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 ZINC000003338398 JI Agent Anodyne C[C@H](CCc1ccccc1)NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 ZINC000003338400 JI Agent Anodyne CC(C)c1ccc(S(=O)(=O)c2ccc(NN/C=C3/C(=O)Oc4ccccc4C3=O)cc2)cc1 ZINC000003342827 JI Agent Mild CCOC(=O)Nc1ccc2c(COC(=O)/C=C/c3ccc(Br)o3)cc(=O)oc2c1 ZINC000003348048 JI Agent Anodyne Cc1cc(C)cc(-n2c(=O)c3ccccc3n3c(SCC(=O)N4CCC(C)CC4)nnc23)c1 ZINC000003349168 JI Agent Anodyne C[C@H](NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1ccccc1 ZINC000003350466 JI Agent Anodyne C[C@@H](NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1ccccc1 ZINC000003350468 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(CS[C@H](C)c3nc4ccccc4c(=O)[nH]3)nnc12 ZINC000003355921 JI Agent Anodyne COc1cc(/C=C/C(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCC#N ZINC000003359539 JI Agent Mild CC(=O)c1ccccc1NC(=O)CSc1nnc2n(Cc3ccc(C)cc3)c(=O)c3ccccc3n12 ZINC000003359861 JI Agent Anodyne O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)NNC(=O)c1ccc(Br)cc1 ZINC000003360676 JI Agent Reactive O=C(COC(=O)/C(=C\c1cccs1)c1cccs1)NNC(=O)c1ccc(Br)cc1 ZINC000003360678 JI Agent Reactive O=C(COC(=O)/C=C/c1cccc(Br)c1)Nc1cccc(I)c1 ZINC000003361413 JI Agent Anodyne CN(CCC#N)C(=O)COC(=O)c1ccccc1SCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000003362905 JI Agent Mild Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)NCC(F)(F)F ZINC000003364617 JI Agent Anodyne O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCC(=O)c1c[nH]c2ccccc12 ZINC000003364859 JI Agent Anodyne C=CCn1c(=O)c2ccccc2n2c(SCc3nnc(-c4ccccc4Br)o3)nnc12 ZINC000003365165 JI Agent Mild COc1ccc(/C=C2/N=C(S[C@H]3CCOC3=O)N(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000003365605 JI Agent Anodyne COc1ccc(/C=C2\N=C(S[C@H]3CCOC3=O)N(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000003365609 JI Agent Anodyne COc1ccc(/C=C2/N=C(S[C@@H]3CCOC3=O)N(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000003365613 JI Agent Anodyne COc1ccc(/C=C2\N=C(S[C@@H]3CCOC3=O)N(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000003365617 JI Agent Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)NCC(F)(F)F ZINC000003365698 JI Agent Anodyne Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCc3cc(=O)oc4cc(O)c(O)cc34)nnc12 ZINC000003366757 JI Agent Clean COC(=O)[C@@H](Cc1ccccc1)N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 ZINC000003368084 JI Agent Anodyne COC(=O)[C@H](Cc1ccccc1)N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 ZINC000003368092 JI Agent Anodyne COc1ccc(C(=O)CSc2nnc3n(-c4cccc(C)c4)c(=O)c4ccccc4n23)cc1OC ZINC000003370430 JI Agent Anodyne COc1ccc(/C=C2\SC(=O)N(CCNC(=O)c3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1 ZINC000003371863 JI Agent Anodyne O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(I)cc1 ZINC000003373041 JI Agent Anodyne CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)nnc12 ZINC000003375368 JI Agent Anodyne CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)nnc12 ZINC000003375369 JI Agent Anodyne N#C/C(C(=O)COC(=O)CSc1ccc2ccccc2c1)=C(/c1ccc(F)cc1)N1CCOCC1 ZINC000003376203 JI Agent Reactive Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCc1cc(=O)n2cc(Br)ccc2n1 ZINC000003376976 JI Agent Anodyne COC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C ZINC000003379664 JI Agent Anodyne COc1cc(NC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc(OC)c1 ZINC000003381231 JI Agent Anodyne Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCc1csc(-c2ccccc2)n1 ZINC000003399685 JI Agent Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCc1csc(-c2ccccc2)n1 ZINC000003399689 JI Agent Anodyne COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1OC ZINC000003404872 JI Agent Anodyne Cc1ccccc1CN(C)C(=O)CSc1nnc2n(-c3ccccc3C)c(=O)c3ccccc3n12 ZINC000003405627 JI Agent Anodyne COc1ccc(N2C(=O)/C(=C\NCC(=O)Nc3c(C)cccc3C)c3ccccc3C2=O)cc1OC ZINC000003410846 JI Agent Anodyne O=C1NC(=O)c2c(N/C=C3\C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)c4ccccc43)cccc21 ZINC000003416527 JI Agent Anodyne COc1ccc(/C=C/C(=O)Nc2nc(C(C)(C)C)cs2)cc1S(=O)(=O)N1CCCCC1 ZINC000003419836 JI Agent Anodyne CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000003421818 JI Agent Anodyne CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000003421822 JI Agent Anodyne CCOc1ccc(N2C(=O)/C(=C\NC[C@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 ZINC000003423440 JI Agent Anodyne CCOc1ccc(N2C(=O)/C(=C\NC[C@@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1 ZINC000003423446 JI Agent Anodyne COC(=O)c1ccc(CSc2nnc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000003424738 JI Agent Bother Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCc2nc3ccccc3c(=O)n2CC#N)o1 ZINC000003426148 JI Agent Mild C[C@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)C(=O)N1CCc2ccccc21 ZINC000003433955 JI Agent Anodyne C[C@@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)C(=O)N1CCc2ccccc21 ZINC000003433958 JI Agent Anodyne O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000003438492 JI Agent Anodyne O=C(COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000003438496 JI Agent Anodyne COc1ccccc1Cn1c(=O)c2ccccc2n2c(Sc3ncnc4sccc34)nnc12 ZINC000003440093 JI Agent Anodyne COc1ccc(N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000003446263 JI Agent Bother COc1cccc(Cn2nc(C)c(/C=C/C(=O)OCC(=O)Nc3sccc3C#N)c2Cl)c1 ZINC000003447111 JI Agent Mild COc1ccc(OC)c(NC(=O)COC(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1 ZINC000003449353 JI Agent Anodyne Cc1nc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2c3c(sc2n1)CCCC3 ZINC000003449610 JI Agent Anodyne COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)c1C ZINC000003450437 JI Agent Reactive COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)NC[C@H]2CCCO2)cc1Cl ZINC000003490464 JI Agent Anodyne COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000003490468 JI Agent Anodyne COC(=O)c1ccc(CSc2nnc3n(Cc4ccc(C)cc4)c(=O)c4ccccc4n23)o1 ZINC000003492156 JI Agent Anodyne CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)o2)cc1 ZINC000033316243 JI Agent Clean CC(=O)[C@H]1[C@H]2c3ccccc3C=CN2C(C#N)(C#N)[C@H]1c1ccc(I)cc1 ZINC000033676407 JI Agent Mild CC(=O)[C@@H]1[C@H]2c3ccccc3C=CN2C(C#N)(C#N)[C@H]1c1ccc(I)cc1 ZINC000033676408 JI Agent Mild COc1ccc(Cl)cc1N1C(=O)/C(=C\c2sccc2C)N=C1SCC(=O)N1CCOCC1 ZINC000003500919 JI Agent Anodyne COc1ccc(Cl)cc1N1C(=O)/C(=C/c2sccc2C)N=C1SCC(=O)N1CCOCC1 ZINC000003500921 JI Agent Anodyne COc1ccc(/C=C2/N=C(SCC(=O)N3CCCC3)N(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000003501842 JI Agent Anodyne COc1ccc(/C=C2\N=C(SCC(=O)N3CCCC3)N(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000003501844 JI Agent Anodyne COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(F)cc3)nnc12 ZINC000003509711 JI Agent Anodyne COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCC(=O)c3ccccc3)nnc12 ZINC000003509718 JI Agent Anodyne Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)N(C(C)C)C(C)C)nnc23)cc1 ZINC000003511900 JI Agent Anodyne C[C@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)C(=O)N(C)c1ccccc1 ZINC000003521903 JI Agent Anodyne C[C@@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)C(=O)N(C)c1ccccc1 ZINC000003521904 JI Agent Anodyne Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N(C)c3ccccc3)nnc12 ZINC000003524425 JI Agent Anodyne Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)nnc12 ZINC000003524427 JI Agent Anodyne Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)nnc12 ZINC000003524428 JI Agent Anodyne Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N3CCCCCC3)nnc12 ZINC000003524430 JI Agent Anodyne Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N(C(C)C)C(C)C)nnc12 ZINC000003524447 JI Agent Anodyne O=C1COc2ccc(C(=O)COC(=O)/C=C/c3cn(-c4ccccc4)nc3-c3cccs3)cc2N1 ZINC000003525637 JI Agent Anodyne Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC[C@H]3C)nnc12 ZINC000003530631 JI Agent Anodyne Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC[C@@H]3C)nnc12 ZINC000003530632 JI Agent Anodyne O=c1c2ccccc2n2c(SCc3nnc(-c4cccs4)o3)nnc2n1-c1ccccc1 ZINC000003535980 JI Agent Anodyne C=CCn1c(=O)c2ccccc2n2c(SCCOc3cccc(Br)c3)nnc12 ZINC000003542518 JI Agent Mild CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(Br)s3)nnc12 ZINC000003544512 JI Agent Anodyne CCc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)Nc4ccccc4OC)nnc23)cc1 ZINC000003552611 JI Agent Anodyne CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N4CCCC4)nnc23)cc1 ZINC000003565272 JI Agent Anodyne CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N4CCCC4)nnc23)cc1 ZINC000003565274 JI Agent Anodyne N#C/C(=C\c1ccc2c(c1)OCCO2)S(=O)(=O)c1cc(Br)ccc1Br ZINC000003588767 JI Agent Reactive N#C/C(=C\c1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(Br)ccc1Br ZINC000003588773 JI Agent Reactive N#C/C(=C\c1ccc(C#N)cc1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000003588780 JI Agent Reactive CCN(C(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1ccccc1 ZINC000003590487 JI Agent Anodyne CCC(=O)c1ccc(OC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000003603360 JI Agent Anodyne COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 ZINC000003617509 JI Agent Reactive Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003617694 JI Agent Reactive O=C(N[C@H]1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@@H]2C1)c1cccnc1 ZINC000003840464 JI Agent Anodyne CCC(CC)C(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@@H]2C1 ZINC000003841289 JI Agent Anodyne CCc1ccccc1N1C(=O)[C@H]2C=C[C@@H]3C(=O)N(c4ccccc4CC)C(=O)[C@@H]4C=C[C@@H](C1=O)C2C34 ZINC000036019156 JI Agent Anodyne CCc1ccccc1N1C(=O)[C@H]2C=C[C@@H]3C(=O)N(c4ccccc4CC)C(=O)[C@H]4C=C[C@H](C1=O)C2C34 ZINC000036019159 JI Agent Anodyne CCc1ccc(N2C(=O)[C@H]3C=C[C@@H]4C(=O)N(c5ccc(CC)cc5)C(=O)[C@@H]5C=C[C@@H](C2=O)C3C45)cc1 ZINC000036019160 JI Agent Anodyne CCc1ccc(N2C(=O)[C@H]3C=C[C@@H]4C(=O)N(c5ccc(CC)cc5)C(=O)[C@H]5C=C[C@H](C2=O)C3C45)cc1 ZINC000036019163 JI Agent Anodyne Cc1cccc(N2C(=O)[C@H]3C=C[C@@H]4C(=O)N(c5cccc(C)c5C)C(=O)[C@@H]5C=C[C@@H](C2=O)C3C45)c1C ZINC000036019165 JI Agent Anodyne Cc1cccc(N2C(=O)[C@H]3C=C[C@@H]4C(=O)N(c5cccc(C)c5C)C(=O)[C@H]5C=C[C@H](C2=O)C3C45)c1C ZINC000036019168 JI Agent Anodyne Cc1ccc(N2C(=O)[C@H]3C=C[C@@H]4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@@H]5C=C[C@@H](C2=O)C3C45)cc1C ZINC000036019169 JI Agent Anodyne Cc1ccc(N2C(=O)[C@H]3C=C[C@@H]4C(=O)N(c5ccc(C)c(C)c5)C(=O)[C@H]5C=C[C@H](C2=O)C3C45)cc1C ZINC000036019172 JI Agent Anodyne C=CCn1c(=O)c2ccccc2n2c(SCc3c(C(=O)OCC)oc4ccccc34)nnc12 ZINC000004058097 JI Agent Mild CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1CC(=O)O ZINC000004202253 JI Agent Anodyne CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1CC(=O)O ZINC000004202254 JI Agent Anodyne CCO[C@@H]1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O ZINC000004245719 JI Agent Anodyne N/C(=N\OC(=O)CCl)c1ccc(Oc2ccc(C3SCCS3)cc2)c([N+](=O)[O-])c1 ZINC000004289210 JI Agent Reactive Cc1ccc(Cn2nc(C)c(/C=C\C(=O)OCc3nc4ccccc4c(=O)n3CC#N)c2Cl)cc1 ZINC000004498776 JI Agent Mild Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)OCc2nc3ccccc3c(=O)n2CC#N)o1 ZINC000004507562 JI Agent Mild O=C(O)CC1(CC(=O)N2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)CCCC1 ZINC000000755388 JI Agent Anodyne O=C(N/C(=C/c1ccco1)C(=O)N1CCC(O)(c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000000868286 JI Agent Anodyne Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cc2c(cc1Br)OCO2 ZINC000000989456 JI Agent Reactive COC(=O)[C@@]12C(O)=C(C)C(=O)[C@]1(C)C(C)=C[C@H]1[C@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@@]12C ZINC000005543935 JI Agent Anodyne CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(OC)c(OC)c2)s1 ZINC000005919310 JI Agent Reactive COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1OC ZINC000006093016 JI Agent Anodyne COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1OC ZINC000006142984 JI Agent Anodyne CCCCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 ZINC000006143814 JI Agent Bother COc1cc2c(=O)[nH]c3c(C(=O)OCc4ccccc4)c4nc5ccccc5nc4n3c2cc1OC ZINC000006143819 JI Agent Bother COc1cc2c(=O)[nH]c3c(C(=O)OCCC(C)C)c4nc5ccccc5nc4n3c2cc1OC ZINC000006143822 JI Agent Bother O=C(NCc1ccc(Cl)cc1)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 ZINC000006143831 JI Agent Bother CCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O ZINC000006181244 JI Agent Anodyne CCOC(=O)c1ccc(N2C(=O)/C(=C\Nc3ccc4c(c3)OCO4)c3ccccc3C2=O)cc1 ZINC000006233609 JI Agent Anodyne CCOC(=O)CSc1nc(SCC(=O)OCC)c2c3c(oc2n1)CSC(C)(C)C3 ZINC000006547271 JI Agent Anodyne Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1 ZINC000006577483 JI Agent Anodyne aggregator CCOc1cc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 ZINC000006600589 JI Agent Reactive O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N/N=C/c1cccs1 ZINC000008382915 JI Agent Reactive COc1ccc(Cl)cc1N1C(=O)/C(=C\c2sccc2C)N=C1SCC(=O)NC1CC1 ZINC000008680899 JI Agent Anodyne aggregator Cc1c(NC(=O)OCCNC(=O)COc2ccc(Cl)cc2Cl)sc(=S)n1C ZINC000008683178 JI Agent Anodyne COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C/c2cccs2)ccc1N1CCOCC1 ZINC000008686642 JI Agent Anodyne CCN(Cc1ccccc1)c1ccc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000008687874 JI Agent Mild C[C@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)C(=O)NCC1CCCCC1 ZINC000008710548 JI Agent Anodyne C[C@@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)C(=O)NCC1CCCCC1 ZINC000008710549 JI Agent Anodyne CCOc1ccc(NC(=O)CN(C)C(=O)/C=C/c2cccc(Br)c2)cc1OCC ZINC000008718358 JI Agent Anodyne Nc1c(N(Cc2ccccc2)C(=O)/C=C/c2cc3ccccc3o2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000008718949 JI Agent Anodyne COc1ccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C)C(=O)N(C)c4ccccc4)nnc23)cc1 ZINC000008725836 JI Agent Anodyne COc1ccc(-n2c(=O)c3ccccc3n3c(S[C@H](C)C(=O)N(C)c4ccccc4)nnc23)cc1 ZINC000008725837 JI Agent Anodyne COc1ccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C)C(=O)N4CCc5ccccc54)nnc23)cc1 ZINC000008725838 JI Agent Anodyne COc1ccc(-n2c(=O)c3ccccc3n3c(S[C@H](C)C(=O)N4CCc5ccccc54)nnc23)cc1 ZINC000008725839 JI Agent Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1/C=C1\C(=O)N(CC(=O)O)C(=O)c2ccccc21 ZINC000008728383 JI Agent Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000008745017 JI Agent Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000008745019 JI Agent Anodyne Nc1nc(SCC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)n[nH]1 ZINC000008746046 JI Agent Anodyne Nc1nc(SCC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)n[nH]1 ZINC000008746048 JI Agent Anodyne Cc1ccc(CNC(=O)CSc2nnc3n(Cc4ccc(C)cc4)c(=O)c4ccccc4n23)cc1 ZINC000008749269 JI Agent Anodyne O=C(CSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)N1CCNC1=O ZINC000008749838 JI Agent Anodyne Cc1sc2[nH]c(CSc3ccccc3)n/c(=N\Cc3ccc(OCC(N)=O)cc3)c2c1C ZINC000008750504 JI Agent Anodyne COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSC2=NN/C(=C3/C=Nc4ccccc43)O2)c1 ZINC000008755906 JI Agent Anodyne COc1ccc(OC)c([C@H]2CCCN2C(=O)CSC2=NN/C(=C3/C=Nc4ccccc43)O2)c1 ZINC000008755913 JI Agent Anodyne O=C(/C=C/c1cccc(C(F)(F)F)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 ZINC000008776454 JI Agent Anodyne O=C(/C=C/c1cccc(C(F)(F)F)c1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 ZINC000008776457 JI Agent Anodyne CCN1CCN(c2ccc(C(=O)/C=C/c3cc(O)c(OC)cc3Br)cc2F)CC1 ZINC000008779413 JI Agent Mild COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)Nc2cc(C)on2)cc1Cl ZINC000008824413 JI Agent Anodyne C#CCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000008824448 JI Agent Mild COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)c2C)cc1 ZINC000008824748 JI Agent Reactive CCc1cc2c(COC(=O)/C(=C/c3ccco3)n3nnnc3-c3ccccc3)cc(=O)oc2cc1O ZINC000008825107 JI Agent Anodyne Cc1cc(-n2c(C)cc(C(=O)COC(=O)/C(=C/c3ccco3)n3nnnc3-c3ccccc3)c2C)no1 ZINC000008825325 JI Agent Anodyne O=C(/C(=C/c1ccco1)n1nnnc1-c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008825423 JI Agent Anodyne COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000008825737 JI Agent Anodyne COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000008825738 JI Agent Anodyne Cc1cc(C(=O)COC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)c(C)n1C ZINC000008826137 JI Agent Anodyne CCc1ccccc1Nc1nc(N)nc(CO/C(=C(\C#N)c2nnc3n2CCCCC3)C(F)(F)F)n1 ZINC000008826476 JI Agent Reactive COc1ccccc1-c1nn(Cc2ccccc2)cc1/C=C1\C(=O)N(CC(=O)O)C(=O)c2ccccc21 ZINC000008848669 JI Agent Anodyne Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000008853386 JI Agent Anodyne CC(C)N1C(=O)C(=O)N(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1=O ZINC000008855881 JI Agent Anodyne CC(C)N1C(=O)C(=O)N(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1=O ZINC000008855882 JI Agent Anodyne O=C1C[C@@H](C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)CN1Cc1ccco1 ZINC000008881979 JI Agent Anodyne Cc1cccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)c1 ZINC000008911974 JI Agent Anodyne Cc1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(C)n1Cc1ccco1 ZINC000008938115 JI Agent Anodyne Cc1cc(C)n(CCC(=O)NCCN2C(=O)S/C(=C\c3cccc(Cl)c3Cl)C2=O)n1 ZINC000008945833 JI Agent Anodyne CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccccc2F)c(OC)c1 ZINC000008952505 JI Agent Reactive COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000008953146 JI Agent Anodyne COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)NC[C@H]2CCCO2)cc1Cl ZINC000008953147 JI Agent Anodyne O=S(=O)(c1ccc(-c2ccc(/C=C/c3ccc4cccc(O)c4n3)o2)cc1)N1CCOCC1 ZINC000008982424 JI Agent Anodyne COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1C ZINC000008984675 JI Agent Clean Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000008986546 JI Agent Reactive CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)/C=C/c2sc3ccccc3c2Cl)cc1 ZINC000008993925 JI Agent Anodyne C=CCOc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009057133 JI Agent Reactive CC1(C)NC(=O)N(CC(=O)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@@H]2c2ccc(F)cc2)C1=O ZINC000009057957 JI Agent Anodyne O=C(NN/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccccc1 ZINC000009090274 JI Agent Reactive N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000009090880 JI Agent Reactive C/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)Nc1ccccc1S2 ZINC000009090949 JI Agent Mild O=[N+]([O-])c1ccccc1/C=N/Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000009096815 JI Agent Mild Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2ccc3c(c2)OCO3)c(C)c1 ZINC000009097064 JI Agent Mild COc1ccccc1NS(=O)(=O)c1ccc(N/N=C/c2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000009097213 JI Agent Mild CCCN(CC1CC1)C(=O)CSc1nnc2n(-c3cc(C)ccc3OC)c(=O)c3ccccc3n12 ZINC000009104368 JI Agent Anodyne Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CCC(C)C ZINC000009112302 JI Agent Reactive Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CCC(C)C ZINC000009112303 JI Agent Reactive COc1ccccc1Cn1c(=O)c2ccccc2n2c(=S)n(CN(Cc3cccnc3)C3CC3)nc12 ZINC000009117712 JI Agent Anodyne CCOc1ccc(N2C(=O)/C(=C\Nc3ccnn3Cc3ccncc3)c3ccccc3C2=O)cc1 ZINC000009119240 JI Agent Anodyne COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC#N ZINC000009119991 JI Agent Mild C[C@@H]1CN(C(=O)CCCSc2ccccc2)C(=Nc2cccc(S(=O)(=O)N(C)C)c2)S1 ZINC000009120306 JI Agent Anodyne CC(=O)c1cccc(NC(=O)CSc2nnc3n(Cc4ccc(C)cc4)c(=O)c4ccccc4n23)c1 ZINC000009120774 JI Agent Anodyne O=C1CN(C(=O)CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)c2ccccc2N1 ZINC000009124838 JI Agent Anodyne Cc1ccc2nc(CSc3nnc4n(-c5c(C)cccc5C)c(=O)c5ccccc5n34)cc(=O)n2c1 ZINC000009125072 JI Agent Anodyne CC(=O)Nc1ccc2c(COC(=O)/C=C/c3c(C)nn(-c4ccc(F)cc4)c3C)cc(=O)oc2c1 ZINC000009125344 JI Agent Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000009126506 JI Agent Anodyne CCCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(OC)c(Cl)c3)nnc12 ZINC000009127111 JI Agent Anodyne O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)Nc1ccccc1OC(F)F ZINC000009127138 JI Agent Mild CC(=O)Nc1ccc(NC(=O)CSc2nnc3n(-c4ccccc4C)c(=O)c4ccccc4n23)cc1 ZINC000009127178 JI Agent Anodyne Cn1cnnc1Sc1ccc(/C=C/C(=O)c2ccc(/N=C3\NCCCS3)cc2)cc1[N+](=O)[O-] ZINC000009127441 JI Agent Mild CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)c3ccccc3C2=O)cc1 ZINC000009127549 JI Agent Anodyne CCc1nc2ccccc2n1CC(=O)NN/C=C1\C(=O)N(c2ccc(C)c(C)c2)C(=O)c2ccccc21 ZINC000009128581 JI Agent Reactive Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)OCC(=O)NC(=O)c1ccc(Cl)cc1 ZINC000009128711 JI Agent Anodyne COc1ccc(/C=C/C(=O)OCC(=O)N(NC(=O)Nc2ccccc2)c2ccccc2)cc1OC ZINC000009129050 JI Agent Reactive O=C(OCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1)C1=COCCO1 ZINC000009129223 JI Agent Anodyne O=C(OCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1)C1=COCCO1 ZINC000009129227 JI Agent Anodyne CCCCCn1c(=O)c2ccccc2n2c(CN3c4cccc5cccc(c45)S3(=O)=O)nnc12 ZINC000009131018 JI Agent Anodyne COc1ccc(/C=N/Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c(OC)c1 ZINC000009139581 JI Agent Mild COc1ccccc1NS(=O)(=O)c1ccc(N/N=C(\C)c2ccc(C#N)cc2)c([N+](=O)[O-])c1 ZINC000009140141 JI Agent Mild COCCNC(=O)/C(=C/c1ccc(OC)c(OCc2ccccc2)c1)c1nc2ccccc2[nH]1 ZINC000009156789 JI Agent Anodyne CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)/C=C/c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000009165840 JI Agent Anodyne O=C(CSc1nnnn1-c1ccccc1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009168111 JI Agent Anodyne CN(CC(=O)Nc1cccc(F)c1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009168865 JI Agent Anodyne CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2)n1 ZINC000009168911 JI Agent Anodyne Cn1c(SCC(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)nnc1-c1cccnc1 ZINC000009171506 JI Agent Anodyne COc1cc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(F)c2)ccc1OCc1c(C)noc1C ZINC000009174158 JI Agent Anodyne COc1ccccc1NS(=O)(=O)c1ccc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000009183517 JI Agent Mild CCCCCn1c(=NC(=O)/C=C/c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000009191931 JI Agent Anodyne Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 ZINC000009201058 JI Agent Reactive CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000009220852 JI Agent Mild CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000009220853 JI Agent Mild CCCCn1/c(=N/C(=O)c2cccc(Cl)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 ZINC000009222277 JI Agent Bother CCCCCn1/c(=N/C(=O)c2cccc(Cl)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000009222290 JI Agent Bother CCCCCn1/c(=N/C(=O)c2cc(C)cc(C)c2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000009222396 JI Agent Mild CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1nc2ccccc2[nH]1 ZINC000009222405 JI Agent Anodyne CC(C)[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1nc2ccccc2[nH]1 ZINC000009222406 JI Agent Anodyne C[C@H]1CSC(N(C(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)c2ccc(Cl)cc2)=N1 ZINC000009222528 JI Agent Anodyne CCCCCn1/c(=N/C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000009222916 JI Agent Bother COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)/C=C/c1cc(C)n(-c2cc(C)on2)c1C ZINC000009223282 JI Agent Anodyne Cc1sc(NC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)nc1-c1ccc(F)c(F)c1 ZINC000009223597 JI Agent Anodyne CN(C)S(=O)(=O)c1cccc(C(=O)N(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)c1 ZINC000009223631 JI Agent Anodyne O=C(Cn1ncc(Cl)c(Cl)c1=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009223789 JI Agent Anodyne O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1 ZINC000009227645 JI Agent Anodyne O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ncnc3onc(-c4ccc(F)cc4)c23)C1 ZINC000009227646 JI Agent Anodyne COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009244672 JI Agent Anodyne COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000009244673 JI Agent Anodyne CN(CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1)S(=O)(=O)/C=C/c1ccccc1 ZINC000009252812 JI Agent Anodyne Cc1c(C(=O)O)sc2nc(/C=C/c3cc(Br)c(O)c(Br)c3)[nH]c(=O)c12 ZINC000009283185 JI Agent Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000009283405 JI Agent Anodyne Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)Nc4ccccc4C)nnc23)cc1 ZINC000009283526 JI Agent Anodyne Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)Nc4cccc(F)c4)nnc23)cc1 ZINC000009283534 JI Agent Anodyne COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000009283634 JI Agent Mild C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2)C(=O)NC(N)=O ZINC000009284061 JI Agent Anodyne C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1c(F)cccc1Cl)CC2)C(=O)NC(N)=O ZINC000009284062 JI Agent Anodyne O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000009284337 JI Agent Anodyne COc1ccccc1CNC(=O)CSc1nnc2n(-c3ccc(C)cc3C)c(=O)c3ccccc3n12 ZINC000009285859 JI Agent Anodyne CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N(C)Cc2cc(Br)ccc2OC)cc1 ZINC000009317794 JI Agent Anodyne COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1C ZINC000009318023 JI Agent Reactive COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C(\C)c2ccc(C#N)cc2)cc1 ZINC000009335527 JI Agent Mild CN(Cc1ccccc1N1CCCC1)C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000009335663 JI Agent Anodyne COc1ccc(/C=C/C(=O)N2CCc3sccc3[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000009336703 JI Agent Anodyne COc1ccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000009336704 JI Agent Anodyne Cc1c(C(=O)O)sc2nc(/C(=C\c3ccc(N4CCOCC4)cc3)c3ccccc3)[nH]c(=O)c12 ZINC000009339342 JI Agent Clean N#CCCn1cc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2ccccc21 ZINC000009339398 JI Agent Mild Cc1sc2nc(/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N3CCCC3)[nH]c(=O)c2c1C ZINC000009339514 JI Agent Bother O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(C(=O)c2ccco2)CC1 ZINC000009349403 JI Agent Anodyne O=C(Nc1cccc(/C=C/c2ccccn2)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000009349416 JI Agent Anodyne CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 ZINC000009363799 JI Agent Anodyne CCCCOC(=O)Nc1nnc(SCC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)s1 ZINC000009369173 JI Agent Bother CCO/C=C1/C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C(=O)c2ccccc21 ZINC000009373571 JI Agent Anodyne Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009376280 JI Agent Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009377679 JI Agent Anodyne CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1cc(C)n(-c2ccnn2C(C)C)c1C ZINC000009377898 JI Agent Anodyne O=C(CCS(=O)(=O)c1ccccc1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009377955 JI Agent Anodyne C=CCOc1ccc(/C=C/C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)cc1 ZINC000009378694 JI Agent Mild Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009385588 JI Agent Anodyne COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 ZINC000009386359 JI Agent Anodyne COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000009386363 JI Agent Anodyne Cc1ccc(Cn2nc(C)c(/C=C/C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)c2C)cc1 ZINC000009389969 JI Agent Anodyne O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)NC(=O)NCc1ccco1 ZINC000009390412 JI Agent Anodyne N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009390509 JI Agent Reactive COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(Cc3ccccn3)C2=O)c([N+](=O)[O-])c1 ZINC000009402891 JI Agent Mild C[C@@H]1CCC[C@H](NC(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)[C@@H]1C ZINC000009403249 JI Agent Anodyne C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)[C@@H]1C ZINC000009403251 JI Agent Anodyne COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2Cc2ccccn2)cc1 ZINC000009403459 JI Agent Mild COc1ccc(/N=C2\S[C@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N2Cc2ccccn2)cc1 ZINC000009403460 JI Agent Mild COc1ccc(N2C(=O)/C(=C\NNC(=O)C34CC5CC(CC(C5)C3)C4)c3ccccc3C2=O)cc1 ZINC000009403537 JI Agent Reactive COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(Cc3ccccn3)C2=O)c([N+](=O)[O-])c1 ZINC000009403852 JI Agent Mild O=C(CCc1nc2ncccc2c(=O)n1Cc1ccccc1Cl)N1CCc2ccccc2C1 ZINC000009407597 JI Agent Anodyne CCOC(=O)/C(=C\c1ccc(OC(F)F)c(OC)c1)c1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000009417855 JI Agent Anodyne CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000009425424 JI Agent Anodyne O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 ZINC000009438480 JI Agent Mild O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000009438557 JI Agent Mild O=C(CSc1ccccc1Cl)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 ZINC000009439143 JI Agent Mild NC(=S)/C(=C\c1ccccc1O)C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000009439354 JI Agent Anodyne CCc1c(C)sc2nc(/C(=C\c3ccc(Br)cc3)C(=O)N3CCOCC3)[nH]c(=O)c12 ZINC000009439638 JI Agent Anodyne COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nnc4n3CCCCC4)cc2OC)cc1 ZINC000009440151 JI Agent Reactive CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3[N+](=O)[O-])N(CC(C)C)C2=O)cc1 ZINC000009440256 JI Agent Mild CC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3[N+](=O)[O-])N(CC(C)C)C2=O)cc1 ZINC000009440261 JI Agent Mild CC(/C=C/c1ccccc1)=C1/SC(=S)N(CCC(=O)N(CCO)Cc2ccccc2)C1=O ZINC000009440442 JI Agent Clean CCNC(=O)COc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)cc1OC ZINC000009440701 JI Agent Anodyne COc1cc(/C=C/C(=O)OCc2cc(=O)oc3cc(Br)ccc23)ccc1OCC#N ZINC000009440736 JI Agent Mild O=C1/C(=C/Nc2nccs2)c2ccccc2C(=O)N1c1cc(Cl)ccc1N1CCOCC1 ZINC000009440790 JI Agent Anodyne COc1ccc(NC(=O)C[C@H]2S/C(=N/c3ccccc3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 ZINC000009441596 JI Agent Mild COc1ccc(NC(=O)C[C@@H]2S/C(=N/c3ccccc3)N(Cc3ccco3)C2=O)c([N+](=O)[O-])c1 ZINC000009441599 JI Agent Mild N/C(=N\OC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1cccs1 ZINC000009442800 JI Agent Mild Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N(C(C)C)C(C)C)nnc23)c(C)c1 ZINC000009442832 JI Agent Anodyne O=[N+]([O-])c1ccccc1/C=N/Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000009442980 JI Agent Mild N#Cc1ccc(/C=N/Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 ZINC000009443019 JI Agent Mild O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000009443331 JI Agent Bother COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccco3)ccc2N2CCCC2)cc1 ZINC000009444333 JI Agent Anodyne O=C(/C=C/c1nnc2c3ccccc3cnn12)OCc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000009464660 JI Agent Anodyne O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)OCc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000009464666 JI Agent Bother Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1C ZINC000009465283 JI Agent Anodyne Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1C ZINC000009465286 JI Agent Anodyne COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000009465305 JI Agent Anodyne Cc1cc(/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000009468553 JI Agent Clean Cn1c(=O)c2ccccc2n2c(COC(=O)CC3(Cc4nc5ccccc5s4)CCCC3)nnc12 ZINC000009469831 JI Agent Anodyne CCc1c(C)sc2nc(/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N3CCOCC3)[nH]c(=O)c12 ZINC000009470718 JI Agent Clean COc1ccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1S(=O)(=O)N(C)C ZINC000009477381 JI Agent Anodyne COc1ccc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1S(=O)(=O)N(C)C ZINC000009477384 JI Agent Anodyne Cc1sc2nc(/C(=C\c3cnn(Cc4ccccc4)c3)C(=O)N3CCCC3)[nH]c(=O)c2c1C ZINC000009481569 JI Agent Anodyne N#C/C(C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)=C1\Nc2ccccc2S1 ZINC000009491955 JI Agent Reactive CCc1c(C)sc2nc(/C(=C\c3ccc(N(CC)CC)cc3)C(=O)N3CCOCC3)[nH]c(=O)c12 ZINC000009492386 JI Agent Clean CCOc1cc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)ccc1OCC(=O)N1CCOCC1 ZINC000009492946 JI Agent Anodyne Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCc1nc2ccc(Cl)cc2n1CCO ZINC000009493861 JI Agent Anodyne CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3ccccc3)c3ccccc3C2=O)c1 ZINC000009493924 JI Agent Anodyne COc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)nnc23)cc1 ZINC000009496505 JI Agent Anodyne COc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)nnc23)cc1 ZINC000009496507 JI Agent Anodyne CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000009497647 JI Agent Anodyne O=C(COc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000009499516 JI Agent Anodyne O=C(COc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1)c1ccc(OC(=O)c2ccco2)cc1 ZINC000009499520 JI Agent Anodyne CCOC(=O)/C=C/C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000009506763 JI Agent Anodyne Cc1cc(C)cc(-n2c(=O)c3ccccc3n3c(SCC(=O)N4C[C@@H](C)C[C@H](C)C4)nnc23)c1 ZINC000009507201 JI Agent Anodyne Cc1cc(C)cc(-n2c(=O)c3ccccc3n3c(SCC(=O)N4C[C@H](C)C[C@@H](C)C4)nnc23)c1 ZINC000009507202 JI Agent Anodyne COc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N4CCCc5ccccc54)nnc23)cc1 ZINC000009508030 JI Agent Anodyne Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)NCC4CCCCC4)nnc23)cc1 ZINC000009508062 JI Agent Anodyne C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)Nc3ccccc3SC)nnc12 ZINC000009508494 JI Agent Mild C=CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3ccccc3SC)nnc12 ZINC000009508495 JI Agent Mild CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)ccc3OC(F)F)nnc12 ZINC000009509339 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(CS[C@@H](C)c3nc4ccccc4c(=O)[nH]3)nnc12 ZINC000009510541 JI Agent Anodyne Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)c4ccc5c(c4)OCCO5)nnc23)cc1 ZINC000009512003 JI Agent Anodyne COc1ccccc1CN(Cc1cccs1)C(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000009514005 JI Agent Anodyne C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CC2)c1nc(N)nc(N(C)C)n1 ZINC000009516215 JI Agent Anodyne C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CC2)c1nc(N)nc(N(C)C)n1 ZINC000009516216 JI Agent Anodyne CN1/C(=C\C(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)C(C)(C)c2ccccc21 ZINC000009516274 JI Agent Mild CCn1c(CSC/C=C/c2ccccc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009520577 JI Agent Anodyne COc1ccc(Cl)cc1N1C(=O)/C(=C\c2sccc2C)N=C1SCC(=O)N1CCCC1=O ZINC000009535189 JI Agent Anodyne CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C/Nc3cccc(C)n3)c3ccccc3C2=O)c1 ZINC000009539445 JI Agent Anodyne CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C/Nc3cccc(O)c3)c3ccccc3C2=O)c1 ZINC000009539446 JI Agent Anodyne O=C(COC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F)Nc1cc(Cl)c(Cl)cc1Cl ZINC000009539475 JI Agent Mild CCOc1ccc(OCc2ccc(C(=O)N/N=C3/C(O)=Nc4ccc([N+](=O)[O-])cc43)cc2)cc1 ZINC000009539734 JI Agent Reactive CCOc1ccc(CCNC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1OCC ZINC000009539969 JI Agent Anodyne CCOC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccc(C)cc2)sc(C(=O)N(CC)CC)c1C ZINC000009539978 JI Agent Anodyne COC(=O)c1c(NC(=O)CN(Cc2ccco2)S(=O)(=O)/C=C/c2ccccc2)sc(C)c1C ZINC000009540375 JI Agent Anodyne CCOC(=O)/C(=C\c1cc(Br)ccc1OC)c1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000009540462 JI Agent Anodyne COc1ccc(Br)cc1/C=C(\C(=O)O)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000009540533 JI Agent Anodyne N#CCCN(C(=O)COC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)c1ccccc1 ZINC000009540609 JI Agent Mild N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000009540626 JI Agent Reactive O=C(COC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000009545865 JI Agent Anodyne O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000009547110 JI Agent Anodyne O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009547114 JI Agent Anodyne CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2ccccc2N2CCOCC2)cs1 ZINC000009547788 JI Agent Anodyne COc1ccc(CCNC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1OC ZINC000009549059 JI Agent Anodyne CCCN(CC1CC1)C(=O)CSc1nnc2n(-c3cc(C)ccc3C)c(=O)c3ccccc3n12 ZINC000009558691 JI Agent Anodyne COCCC/N=C1/S[C@@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1/N=C/c1ccc(OC)cc1 ZINC000009561669 JI Agent Mild N#C/C(=C\c1ccc(C(=O)O)cc1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000009562154 JI Agent Reactive Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)nnc23)cc1 ZINC000009562385 JI Agent Anodyne Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)nnc23)cc1 ZINC000009562387 JI Agent Anodyne N#C/C(=C\c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1)c1nnc2n1CCCCC2 ZINC000009562461 JI Agent Reactive O=C(OCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1)c1ccc[n+]([O-])c1 ZINC000009562472 JI Agent Anodyne O=C(OCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1)c1ccc[n+]([O-])c1 ZINC000009562474 JI Agent Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3cccs3)c2)cc1 ZINC000009562669 JI Agent Anodyne CN(C(=O)COC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1)C1CCCCC1 ZINC000009562862 JI Agent Anodyne CC1(C)NC(=O)N(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1=O ZINC000009578511 JI Agent Anodyne CC1(C)NC(=O)N(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1=O ZINC000009578512 JI Agent Anodyne N#C/C(=C\c1nn(Cc2ccccc2)cc1-c1cccnc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000009583528 JI Agent Reactive COc1ccc(/C=C/C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000009586134 JI Agent Anodyne O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 ZINC000009586448 JI Agent Mild O=C(NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)NCc1ccc(Cn2cccn2)cc1 ZINC000009586717 JI Agent Anodyne CC(=O)NCc1ccc(C(=O)COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)o1 ZINC000009588521 JI Agent Anodyne CSc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000009593407 JI Agent Clean Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000009594095 JI Agent Anodyne Cc1ccccc1N(CC(=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000009594827 JI Agent Anodyne O=C(CCCSC1=NN/C(=C2/C=Nc3ccccc32)N1c1ccc(Cl)cc1)N1CCOCC1 ZINC000009607304 JI Agent Anodyne C[C@@H](OC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)C(=O)N(C)c1ccccc1 ZINC000009612687 JI Agent Anodyne Cc1cc(C(=O)COC(=O)c2ccccc2N/C=C/C(=O)C(F)(F)F)c(C)n1C[C@@H]1CCCO1 ZINC000009612912 JI Agent Mild Cc1cc(C(=O)COC(=O)c2ccccc2N/C=C/C(=O)C(F)(F)F)c(C)n1C[C@H]1CCCO1 ZINC000009612913 JI Agent Mild COc1cc(/C=N/Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])ccc1O ZINC000009613196 JI Agent Mild COc1ccc(/C=N/Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1O ZINC000009613277 JI Agent Mild COc1ccc(/C=N/Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1OC ZINC000009613279 JI Agent Mild COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2Cl)cc1O ZINC000009613283 JI Agent Mild CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C\Nc3cc(C)ccn3)c3ccccc3C2=O)c1 ZINC000009613551 JI Agent Anodyne COC(=O)c1ccc(COc2ccccc2/C=C(/C(=O)N2CCOCC2)c2nc3ccccc3[nH]2)cc1 ZINC000009630469 JI Agent Anodyne NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)cc1 ZINC000009631142 JI Agent Anodyne O=C(/C=C/c1ccco1)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1 ZINC000009631397 JI Agent Anodyne O=[N+]([O-])c1ccccc1/C=C/C=N/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000009631552 JI Agent Mild Cc1sc2nc(-c3cccnc3)nc(N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c2c1C ZINC000009633176 JI Agent Anodyne O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2)NCC(F)(F)F ZINC000009633206 JI Agent Anodyne NC(=O)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)c(Cl)c1)CC2 ZINC000009633213 JI Agent Anodyne CC(=O)c1ccc(NC(=O)CSc2nnc3n(Cc4ccc(C)cc4)c(=O)c4ccccc4n23)cc1 ZINC000009633214 JI Agent Anodyne O=C(COC(=O)/C=C/c1cccc(Br)c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000009633409 JI Agent Clean O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1CCN1CCOCC1 ZINC000009634105 JI Agent Clean COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1OC(F)F ZINC000009634113 JI Agent Clean C/C=C/C=C/C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl ZINC000009634626 JI Agent Anodyne Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 ZINC000009634900 JI Agent Mild O=C(CCc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 ZINC000009634901 JI Agent Mild O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)Nc1ccc(Br)cc1F ZINC000009635522 JI Agent Mild CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1 ZINC000009635551 JI Agent Reactive CCn1c(SCC(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)nnc1-c1ccco1 ZINC000009635568 JI Agent Mild CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3c(C)cc(C)cc3Cl)nnc12 ZINC000009635599 JI Agent Anodyne CCO/C=C1/C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C(=O)c2ccccc21 ZINC000009636209 JI Agent Anodyne COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/C(O)=Nc3ccc(C(C)C)cc32)c1 ZINC000009636210 JI Agent Reactive Cn1cnnc1Sc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000009662308 JI Agent Bother Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000009662908 JI Agent Anodyne O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1cc(Cl)ccc1-n1cncn1 ZINC000009664788 JI Agent Anodyne NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)cc1 ZINC000009665548 JI Agent Anodyne CCn1nc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c2ccccc2c1=O ZINC000009666728 JI Agent Reactive COc1cc2c(cc1/C=C/C(=O)N(CC(=O)Nc1ccccc1OC)Cc1ccco1)O[C@H](C)C2 ZINC000009669567 JI Agent Anodyne COc1cc2c(cc1/C=C/C(=O)N(CC(=O)Nc1ccccc1OC)Cc1ccco1)O[C@@H](C)C2 ZINC000009669568 JI Agent Anodyne Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)c1C ZINC000009670965 JI Agent Anodyne COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1cc(Cl)c2c(c1)OCO2 ZINC000009670966 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(COC(=O)c3cc(F)c(F)cc3Cl)nnc12 ZINC000009672454 JI Agent Anodyne COc1ccc(Cl)cc1C(=O)OCc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12 ZINC000009672458 JI Agent Anodyne C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)nnc12 ZINC000009672477 JI Agent Mild C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)nnc12 ZINC000009672478 JI Agent Mild C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OCC(=O)NCC)c(OC)c3)c12 ZINC000009672693 JI Agent Mild N#Cc1oc2ccccc2c1NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 ZINC000009703772 JI Agent Mild C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000009711948 JI Agent Reactive C[C@@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000009711949 JI Agent Reactive Cc1ccc2nc(-c3ccccc3)c(NC(=O)CN(C)S(=O)(=O)/C=C/c3ccccc3)n2c1 ZINC000009715208 JI Agent Anodyne Cc1oc2cc(OCc3nnc4n(C)c(=O)c5ccccc5n34)ccc2c(=O)c1Oc1ccccc1 ZINC000009715890 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(SCc3nnc(-c4cccs4)o3)nnc12 ZINC000009715891 JI Agent Anodyne O=C(NN=C1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1OCc1ccc(Cl)cc1 ZINC000009716309 JI Agent Anodyne Cc1ccc(NS(=O)(=O)c2ccc(N/N=C/c3ccc(C(=O)O)cc3)c([N+](=O)[O-])c2)c(C)c1 ZINC000009716594 JI Agent Mild COc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)NCCC4=CCCCC4)nnc23)cc1 ZINC000009717118 JI Agent Anodyne NC(=O)C1CCN(CC(=O)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@@H]2c2ccc(F)cc2)CC1 ZINC000009727879 JI Agent Anodyne O=C(Cn1cnc2sccc2c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000009730390 JI Agent Anodyne O=C(Cn1cnc2sccc2c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000009730392 JI Agent Anodyne COc1ccc(CN2C(=O)/C(=C\c3cc(OC)c4c(c3)OCCO4)c3ccccc3C2=O)cc1 ZINC000009730483 JI Agent Anodyne CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 ZINC000009731038 JI Agent Clean CCOc1c(Br)cc(/C=C/c2nc3sc(C(=O)OC)c(C)c3c(=O)[nH]2)cc1OC ZINC000009740002 JI Agent Anodyne O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000009744232 JI Agent Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000009764892 JI Agent Reactive O=C(Cn1nnc(-c2ccsc2)n1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000009767521 JI Agent Anodyne O=C(Cn1nnc(-c2ccsc2)n1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000009767529 JI Agent Anodyne O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000009782588 JI Agent Anodyne Cc1sc2nc(/C(=C\c3cc(Cl)c4c(c3)OCCO4)C(=O)N3CCCC3)[nH]c(=O)c2c1C ZINC000009788964 JI Agent Anodyne O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(c2ccccn2)CC1 ZINC000009820000 JI Agent Anodyne Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)NC4CCCCCC4)nnc23)cc1 ZINC000009831288 JI Agent Anodyne O=C(CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)NCc1ccccc1Cl ZINC000009831305 JI Agent Anodyne O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)NC1CCCCCC1 ZINC000009831361 JI Agent Anodyne O=C(CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12)N1CCc2ccccc2C1 ZINC000009831511 JI Agent Anodyne O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)Nc1ccc(F)c(F)c1 ZINC000009831555 JI Agent Anodyne COc1ccc(/C=C/C(=O)N(C)Cc2ccccc2N2CCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000009835780 JI Agent Anodyne NC(=O)C1CCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)CC1 ZINC000009846786 JI Agent Anodyne NC(=O)C1CCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)CC1 ZINC000009846788 JI Agent Anodyne CCOC(=O)Cc1csc(NC(=O)c2cc(Br)c(Br)s2)n1 ZINC000009857574 JI Agent Anodyne O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000009882093 JI Agent Anodyne Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000009882218 JI Agent Anodyne O=C(/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCC(=O)c1ccc(F)c(F)c1 ZINC000009882485 JI Agent Anodyne O=C(COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCCC1=CCCCC1 ZINC000009883094 JI Agent Anodyne O=C(/C=C/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCc1nnc(-c2ccccc2)o1 ZINC000009883097 JI Agent Anodyne CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)COC(=O)/C=C/c1cccs1 ZINC000009883486 JI Agent Anodyne CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000009883729 JI Agent Clean CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000009883902 JI Agent Anodyne Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2C)no1 ZINC000009884043 JI Agent Anodyne O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000009884247 JI Agent Anodyne O=C(O)Cn1c(/C=C/c2ccc3c(c2)OCCO3)nc2scc(-c3cccs3)c2c1=O ZINC000009914452 JI Agent Anodyne C[C@H](NC(=O)[C@@H](C)Sc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)c1ccccc1 ZINC000009947228 JI Agent Anodyne C[C@@H](Sc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)C(=O)N[C@H](C)c1ccccc1 ZINC000009947229 JI Agent Anodyne C[C@H](Sc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)C(=O)N[C@@H](C)c1ccccc1 ZINC000009947230 JI Agent Anodyne C[C@H](Sc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)C(=O)N[C@H](C)c1ccccc1 ZINC000009947231 JI Agent Anodyne C[C@H](NC(=O)CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)c1ccc(F)cc1 ZINC000009947284 JI Agent Anodyne C[C@@H](NC(=O)CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)c1ccc(F)cc1 ZINC000009947285 JI Agent Anodyne Cc1cccc(NC(=O)CSc2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)c1 ZINC000009947330 JI Agent Anodyne Cc1ccccc1NC(=O)CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12 ZINC000009947338 JI Agent Anodyne O=C(CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)Nc1ccc(F)cc1F ZINC000009947343 JI Agent Anodyne Cc1cc(C)cc(NC(=O)CSc2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)c1 ZINC000009947354 JI Agent Anodyne O=C(CSc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)Nc1cccc(Cl)c1 ZINC000009947368 JI Agent Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(COC(=O)CCC(=O)c3ccc(Cl)cc3)nnc12 ZINC000009951545 JI Agent Anodyne CCOc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)/C=C/c4ccc(C)cc4)CC3)o2)cc1 ZINC000009956662 JI Agent Anodyne Cc1sc2nc(CN3CCCC3)nc(N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c2c1C ZINC000009960250 JI Agent Anodyne O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000009960325 JI Agent Anodyne Cn1c(=O)c2ccccc2n2c(COC(=O)C3(Cc4nc5ccccc5s4)CCCC3)nnc12 ZINC000009960750 JI Agent Anodyne NC(=O)Cc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)s1 ZINC000009961071 JI Agent Anodyne Cn1c(=O)c2ccccc2n2c(COC(=O)C3(Cc4nc5ccccc5s4)CCCCC3)nnc12 ZINC000009962681 JI Agent Anodyne COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000009963734 JI Agent Anodyne CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)/C=C/c1ccc(Br)o1 ZINC000009983784 JI Agent Anodyne C/C=C/c1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc(OC)c1OC ZINC000009991398 JI Agent Anodyne CCc1nnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)s1 ZINC000095537793 JI Agent Mild COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)c(C)c1 ZINC000095927308 JI Agent Clean CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(Br)s2)sc(C(=O)N(C)C)c1C ZINC000096438054 JI Agent Reactive COc1ccc(-c2nn(Cc3ccccc3F)cc2/C=C(/C#N)C(=O)NCc2ccccn2)cc1OC ZINC000096438285 JI Agent Reactive N#C/C(=C/c1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000096438300 JI Agent Reactive CC(C)COc1ccc(Br)cc1/C=C(/C#N)C(=O)NCc1ccc2c(c1)OCO2 ZINC000096438305 JI Agent Reactive COc1ccc(OCc2ccc(/C=C(/C#N)C(=O)NCCc3ccc(OC)c(OC)c3)o2)cc1 ZINC000096438623 JI Agent Reactive CCCOc1cc(Br)c(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC ZINC000096438624 JI Agent Reactive CCCOc1cccc(/C=C(/C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)c1 ZINC000096438958 JI Agent Reactive COc1cc(/C=C2/SC(=N)N(c3nonc3-n3cccc3)C2=O)ccc1OC1CCCC1 ZINC000096438994 JI Agent Anodyne CC(C)Cc1nn(-c2ccccc2)cc1/C=C1/SC(=N)N(c2nonc2-n2cccc2)C1=O ZINC000096438999 JI Agent Anodyne CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)c2C)cc1 ZINC000096445789 JI Agent Reactive CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)/C=C\c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000096446587 JI Agent Anodyne CC(=O)Nc1ccc2c(COC(=O)/C=C\c3c(C)nn(-c4ccc(F)cc4)c3C)cc(=O)oc2c1 ZINC000096446616 JI Agent Anodyne COc1cc(C(=O)COC(=O)/C=C\c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc(OC)c1OC ZINC000096446676 JI Agent Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000096446694 JI Agent Anodyne Cc1cc(/C=C\C(=O)OCC(=O)NC(=O)NCCC2=CCCCC2)c(C)n1Cc1ccco1 ZINC000096447556 JI Agent Anodyne Cc1cc(-n2c(C)cc(C(=O)COC(=O)/C(=C\c3ccco3)n3nnnc3-c3ccccc3)c2C)no1 ZINC000096448490 JI Agent Anodyne Cc1nn(C)c(C)c1/C=C\C(=O)OCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000096448575 JI Agent Anodyne Cc1nn(C)c(C)c1/C=C\C(=O)OCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000096448576 JI Agent Anodyne Cc1cc(NC(=O)COC(=O)/C=C\c2cc(Br)ccc2F)n(-c2ccccc2)n1 ZINC000096450287 JI Agent Anodyne Nc1nc(SCC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)n[nH]1 ZINC000096455175 JI Agent Anodyne C/C=C/C=C\C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl ZINC000096462191 JI Agent Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000096462978 JI Agent Anodyne CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)COC(=O)/C=C\c1cccs1 ZINC000096465002 JI Agent Anodyne O=C(COC(=O)/C=C\c1cccc(Br)c1)Nc1cccc(I)c1 ZINC000096465782 JI Agent Anodyne COc1cc(/C=C\C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)ccc1O ZINC000096466874 JI Agent Clean COc1ccc(CCNC(=O)COC(=O)/C(=C\c2cccs2)c2cccs2)cc1OC ZINC000096481424 JI Agent Anodyne O=C1CN(C(=O)COC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)c2ccccc2N1 ZINC000096481702 JI Agent Anodyne CC(=O)NCc1ccc(C(=O)COC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccs2)o1 ZINC000096481711 JI Agent Anodyne CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000096481715 JI Agent Anodyne CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000096481717 JI Agent Anodyne O=C1COc2ccc(C(=O)COC(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cccs3)cc2N1 ZINC000096481721 JI Agent Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)o1 ZINC000096481735 JI Agent Anodyne COc1ccc(/C=C2/N=C(SCC(=O)/C(C#N)=C(/C)N)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000096481838 JI Agent Reactive COc1ccc(/C=C2/N=C(SCCN3CCOCC3)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000096481839 JI Agent Anodyne COc1cccc(/C=C(\C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c2ccccc2)c1 ZINC000096481975 JI Agent Anodyne O=C(COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCCC1=CCCCC1 ZINC000096484566 JI Agent Anodyne O=C(/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCc1nnc(-c2ccccc2)o1 ZINC000096484568 JI Agent Anodyne O=C(/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)OCC(=O)c1ccc(F)c(F)c1 ZINC000096484575 JI Agent Anodyne CCOC(=O)Nc1ccc2c(COC(=O)/C=C\c3ccc(Br)o3)cc(=O)oc2c1 ZINC000096489945 JI Agent Anodyne CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2sc(C)c(C)c2C(=O)OC)c1C ZINC000096491581 JI Agent Reactive Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CCC(C)C ZINC000096491732 JI Agent Reactive Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1CCC(C)C ZINC000096491734 JI Agent Reactive Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C\C(=O)OCC(=O)NCC(F)(F)F ZINC000096491790 JI Agent Anodyne CSc1ccc(/C=C\C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000096499066 JI Agent Clean CCOc1ccc(CCNC(=O)COC(=O)/C=C\c2ccc(OC(F)F)cc2)cc1OCC ZINC000096499310 JI Agent Anodyne O=C(COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000096499525 JI Agent Anodyne CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cn(CC(N)=O)c2ccccc12 ZINC000096504320 JI Agent Reactive COc1ccc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1CN1CCSCC1 ZINC000096504344 JI Agent Reactive CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccc(OC)c(CN2CCSCC2)c1 ZINC000096504428 JI Agent Reactive C[C@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000096504757 JI Agent Reactive C[C@@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000096504759 JI Agent Reactive COc1ccccc1C(=O)COC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000096506471 JI Agent Anodyne Cc1cc(C(=O)COC(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)c(C)n1C ZINC000096506474 JI Agent Anodyne COc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000096506714 JI Agent Anodyne COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000096506715 JI Agent Anodyne CCOc1ccc(CCNC(=O)COC(=O)/C=C\c2c(C)nn(-c3ccccc3)c2C)cc1OCC ZINC000096506725 JI Agent Anodyne COc1ccccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)/C=C\c1ccccc1 ZINC000096513923 JI Agent Anodyne COC(=O)c1c(NC(=O)CN(Cc2ccco2)S(=O)(=O)/C=C\c2ccccc2)sc(C)c1C ZINC000096514111 JI Agent Anodyne CCc1ccccc1Nc1nc(N)nc(CO/C(=C(/C#N)c2nnc3n2CCCCC3)C(F)(F)F)n1 ZINC000096514163 JI Agent Reactive Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000096533361 JI Agent Anodyne O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000096536684 JI Agent Anodyne O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(c2ccccn2)CC1 ZINC000096536720 JI Agent Anodyne COc1ccc(NC(=O)CN(C)C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000096536987 JI Agent Anodyne CCOc1ccc(NC(=O)CN(C)C(=O)/C=C\c2cccc(Br)c2)cc1OCC ZINC000096536996 JI Agent Anodyne COc1cc(/C=C\C(=O)N(C)C[C@@H]2COc3ccccc3O2)ccc1OCc1c(C)noc1C ZINC000096543601 JI Agent Anodyne COc1cc(/C=C\C(=O)N(C)C[C@H]2COc3ccccc3O2)ccc1OCc1c(C)noc1C ZINC000096543602 JI Agent Anodyne O=C(C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000096543624 JI Agent Anodyne COc1cc(/C=C\C(=O)N(C)CC(=O)Nc2cccc(F)c2)ccc1OCc1c(C)noc1C ZINC000096543647 JI Agent Anodyne CN(CC(=O)Nc1cccc(F)c1)C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000096543649 JI Agent Anodyne CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C\c2ccc(Br)s2)c1 ZINC000096545107 JI Agent Anodyne CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C\c2ccccc2Br)c1 ZINC000096545108 JI Agent Anodyne COc1ccc(/C=C\C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000096545271 JI Agent Anodyne COc1ccc(/C=C\C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000096545272 JI Agent Anodyne Cc1cc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(C)n1Cc1ccco1 ZINC000096545308 JI Agent Anodyne O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000096576400 JI Agent Anodyne COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000096578025 JI Agent Anodyne CC(C)[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000096578661 JI Agent Anodyne CC(C)[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000096578663 JI Agent Anodyne O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096578904 JI Agent Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)/C=C\c2cn(CCC#N)c3ccccc23)cc1 ZINC000096585352 JI Agent Mild CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)/C=C\c2cn(CCC#N)c3ccccc23)cc1 ZINC000096585353 JI Agent Mild CCCOc1c(Cl)cc(/C=C\C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000096585420 JI Agent Anodyne COc1cc(/C=C\C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OCc1c(C)noc1C ZINC000096585421 JI Agent Anodyne N#Cc1ccc(CN2CCN(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cccnc3)CC2)cc1 ZINC000096585422 JI Agent Anodyne O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(Cc2ccccc2F)CC1 ZINC000096585428 JI Agent Anodyne O=C(/C=C\c1nc2ccccc2s1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 ZINC000096585676 JI Agent Mild Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 ZINC000096585678 JI Agent Mild COc1ccc(/C=C\C(=O)N(Cc2ccco2)Cc2ccco2)cc1S(=O)(=O)N1CCCCC1 ZINC000096585781 JI Agent Anodyne CCOc1ccccc1N=C1SC[C@@H](C)N1C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000096585797 JI Agent Anodyne CCOc1ccccc1N=C1SC[C@H](C)N1C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000096585798 JI Agent Anodyne COc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000096586183 JI Agent Anodyne COc1ccc(/C=C\C(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)N1CCCCC1 ZINC000096586184 JI Agent Anodyne O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096594302 JI Agent Anodyne CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000096603299 JI Agent Anodyne CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C\c1cccc(Cl)c1Cl ZINC000096610852 JI Agent Anodyne CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)/C=C\c1cc(C)n(Cc2ccco2)c1C ZINC000096610860 JI Agent Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000096610891 JI Agent Anodyne CCN(CC(=O)NCc1cccs1)C(=O)/C=C\c1cc(Br)ccc1OC(F)F ZINC000096610902 JI Agent Anodyne CCN(CC(=O)NCc1cccs1)C(=O)/C=C\c1csc(N(C(C)=O)c2ccccc2)n1 ZINC000096610905 JI Agent Anodyne CCN(CC(=O)NCc1cccs1)C(=O)/C=C\c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000096610913 JI Agent Anodyne COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C\c2cccs2)ccc1N1CCOCC1 ZINC000096619757 JI Agent Anodyne O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000096619900 JI Agent Anodyne O=C(/C=C\c1cn(Cc2ccccc2)nc1-c1cccs1)N1CCN(C(=O)c2ccco2)CC1 ZINC000096619910 JI Agent Anodyne COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](c3cccs3)N3CCOCC3)c2C)cc1 ZINC000096619953 JI Agent Reactive COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC[C@H](c3cccs3)N3CCOCC3)c2C)cc1 ZINC000096619954 JI Agent Reactive COc1ccc(/C=C\C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000096620025 JI Agent Anodyne O=C(/C=C\c1c(Cl)nc2ccccn12)Nn1cnc2scc(-c3cccs3)c2c1=O ZINC000096620037 JI Agent Anodyne O=C(/C=C\c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCc1ccccc1Cl ZINC000096620110 JI Agent Anodyne O=C(CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000096630334 JI Agent Anodyne Cc1sc2nc(CN3CCCC3)nc(N3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)c2c1C ZINC000096630450 JI Agent Anodyne O=S(=O)(/C=C\c1ccccc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000096630453 JI Agent Anodyne O=C(/C=C\c1ccco1)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1 ZINC000096646238 JI Agent Anodyne O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000096658651 JI Agent Anodyne N#C/C(=C/c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1)c1nnc2n1CCCCC2 ZINC000096663221 JI Agent Reactive CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cs1 ZINC000096663491 JI Agent Clean CC(=O)N(c1nc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cs1)c1cccc(C)c1C ZINC000096663494 JI Agent Clean CC(=O)N(c1nc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cs1)c1c(C)cccc1C ZINC000096663495 JI Agent Clean CC(=O)N(c1nc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cs1)c1ccccc1F ZINC000096663502 JI Agent Clean CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2Br)c1C ZINC000096669484 JI Agent Reactive COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1 ZINC000096669559 JI Agent Reactive Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000096669569 JI Agent Reactive COc1ccc(CN2C(=O)/C(=C/c3cc(OC)c4c(c3)OCCO4)c3ccccc3C2=O)cc1 ZINC000096669587 JI Agent Anodyne Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(/C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000096669629 JI Agent Reactive Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)/C=C\c2ccc(Cl)cc2)c1C ZINC000096721176 JI Agent Anodyne CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)/C=C\c1ccccc1 ZINC000096731712 JI Agent Anodyne O=S(=O)(/C=C\c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1 ZINC000096731731 JI Agent Mild COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)Nc2cccc(/C=C\c3ccccn3)c2)c1OC ZINC000096742810 JI Agent Anodyne COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)c1OC ZINC000096742811 JI Agent Anodyne COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2cccc(/C=C\c3ccccn3)c2)c1OC ZINC000096742812 JI Agent Anodyne O=S(=O)(/C=C\c1ccccc1)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000096747802 JI Agent Clean O=S(=O)(/C=C\c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 ZINC000096753121 JI Agent Mild CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000096753204 JI Agent Anodyne COCCOC(=O)c1sc2nc(/C(Cl)=C\c3ccc4c(c3)OCCO4)nc(O)c2c1C ZINC000096759364 JI Agent Anodyne O=S(=O)(c1ccc(-c2ccc(/C=C\c3ccc4cccc(O)c4n3)o2)cc1)N1CCOCC1 ZINC000096765480 JI Agent Anodyne CCN1CCN(c2ccc(C(=O)/C=C\c3cc(O)c(OC)cc3Br)cc2F)CC1 ZINC000096765554 JI Agent Mild Cc1c(C(=O)O)sc2nc(/C=C\c3cc(Br)c(O)c(Br)c3)[nH]c(=O)c12 ZINC000096765816 JI Agent Anodyne CCOc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc(Br)c1OCC(=O)N(C)C ZINC000096765846 JI Agent Mild CCOc1cc(/C=C\C(=O)c2ccc(OC)c(CN3CCOCC3)c2)cc(Br)c1O ZINC000096765877 JI Agent Mild CCOC(=O)N1C/C(=C/c2cc(OC)cc(OC)c2)C(=O)/C(=C\c2cc(OC)cc(OC)c2)C1 ZINC000096766686 JI Agent Mild CCOC(=O)N1C/C(=C\c2cc(OC)cc(OC)c2)C(=O)/C(=C/c2cc(OC)cc(OC)c2)C1 ZINC000096766687 JI Agent Mild O=C(O)/C(=C/c1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000096766890 JI Agent Anodyne O=C(O)/C(=C/c1ccc(Br)cc1F)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000096767435 JI Agent Anodyne O=C(O)/C(=C/c1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000096767452 JI Agent Anodyne COc1cc(/C=C(/CC(=O)O)c2nc3ccccc3s2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 ZINC000096767465 JI Agent Anodyne COc1cc(/C=C(/CC(=O)O)c2nc3ccccc3s2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000096767466 JI Agent Anodyne CCCCc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)cc1 ZINC000096767487 JI Agent Reactive CCCCc1ccc(NC(=O)/C(C#N)=C\c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)cc1 ZINC000096767488 JI Agent Reactive NC(=O)C1CCN(CC(=O)N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)CC1 ZINC000096775252 JI Agent Anodyne NC(=O)C1CCN(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)CC1 ZINC000096775254 JI Agent Anodyne O=C(CN1CCN(C/C=C\c2ccccc2)CC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000096781178 JI Agent Anodyne O=C(CN1CCN(C/C=C\c2ccccc2)CC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000096781179 JI Agent Anodyne CCOC(=O)c1sc2[nH]c(/C=C\c3cc(O)c(OC)cc3Br)nc(=O)c2c1C ZINC000096792060 JI Agent Anodyne O=C(/C=C\c1csc(-c2ccc(Cl)cc2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000096792255 JI Agent Mild COc1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(Cl)c1OC(C)C ZINC000096792258 JI Agent Mild COc1cc(/C=C(/C#N)S(=O)(=O)c2cc(Br)ccc2Br)ccc1O ZINC000096792475 JI Agent Reactive Cc1c(/C=C(/C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc(C#N)n1C ZINC000096792483 JI Agent Reactive N#C/C(=C/c1nn(Cc2ccccc2)cc1-c1cccnc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000096792488 JI Agent Reactive CCOc1c(Br)cc(/C=C\c2nc3sc(C(=O)OC)c(C)c3c(=O)[nH]2)cc1OC ZINC000096792683 JI Agent Anodyne COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccn2)cc1 ZINC000096793795 JI Agent Anodyne COc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2Cc2ccccn2)cc1 ZINC000096793796 JI Agent Anodyne Cc1ccc(Cn2nc(C)c(/C=C\C(=O)OCc3nc4ccsc4c(=O)[nH]3)c2Cl)cc1 ZINC000096797986 JI Agent Anodyne COC(=O)c1ccc2c(=O)[nH]c(COC(=O)/C(=C\c3ccccc3OC)c3ccccc3)nc2c1 ZINC000096798010 JI Agent Anodyne CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3cc(=O)n4cc(C)ccc4n3)c2C)cc1 ZINC000096801505 JI Agent Reactive Cc1ccc2nc(COC(=O)/C=C\c3c(C)nn(-c4ccc(F)cc4)c3Cl)cc(=O)n2c1 ZINC000096801508 JI Agent Anodyne CCOC(=O)c1oc2ccccc2c1COC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C ZINC000096801542 JI Agent Reactive O=C(Cn1ncc(Cl)c(Cl)c1=O)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000096809783 JI Agent Anodyne O=C(CSc1nnnn1-c1ccccc1)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000096809813 JI Agent Anodyne O=C(CSc1nnc2ccccn12)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000096809825 JI Agent Anodyne Cn1c(SCC(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)nnc1-c1cccnc1 ZINC000096809834 JI Agent Anodyne CSc1ccc2cc(COC(=O)CNS(=O)(=O)/C=C\c3ccccc3)c(Cl)nc2c1 ZINC000096809837 JI Agent Anodyne O=C(/C=C\c1nnc2c3ccccc3cnn12)OCc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000096809869 JI Agent Anodyne CCCOc1c(Cl)cc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC ZINC000096814717 JI Agent Mild COc1cc2c(cc1/C=C\C(=O)N(CC(=O)Nc1ccccc1OC)Cc1ccco1)O[C@H](C)C2 ZINC000096815040 JI Agent Anodyne COc1cc2c(cc1/C=C\C(=O)N(CC(=O)Nc1ccccc1OC)Cc1ccco1)O[C@@H](C)C2 ZINC000096815044 JI Agent Anodyne C=CCN(C(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1)c1nc2c(s1)CCCC2 ZINC000096815052 JI Agent Mild COc1cc2c(cc1/C=C\C(=O)N(CC(=O)Nc1cccc(C)c1C)C[C@@H]1CCCO1)O[C@@H](C)C2 ZINC000096815116 JI Agent Anodyne COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000096817248 JI Agent Anodyne O=C(/C(=C\c1ccco1)n1nnnc1-c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096817367 JI Agent Anodyne O=C(/C(=C\c1ccco1)n1nnnc1-c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000096817368 JI Agent Anodyne O=C(NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000096817369 JI Agent Anodyne CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C\c1ccc(OC(F)F)cc1OC(F)F ZINC000096820551 JI Agent Anodyne CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N2CCN(CCOc3ccccc3)CC2)cs1 ZINC000096822796 JI Agent Anodyne O=C1C[C@@H](C(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)CN1Cc1ccco1 ZINC000096822821 JI Agent Anodyne O=C1C[C@H](C(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)CN1Cc1ccco1 ZINC000096822822 JI Agent Anodyne Cn1nc(C(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)c2ccccc2c1=O ZINC000096822833 JI Agent Anodyne O=C(CCS(=O)(=O)c1ccccc1)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000096822834 JI Agent Anodyne CN(C)S(=O)(=O)c1cccc(C(=O)N(C/C=C\c2ccccc2)c2ccc3c(c2)OCCO3)c1 ZINC000096822844 JI Agent Anodyne Cc1ccccc1N(CC(=O)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000096822853 JI Agent Anodyne Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000096822861 JI Agent Anodyne COc1cc(/C=C\C(=O)Nc2ccnn2Cc2cc(Br)cs2)cc(OC)c1OC ZINC000096826531 JI Agent Anodyne CN(Cc1ccc(Cl)s1)C(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000096826562 JI Agent Anodyne CN(Cc1ccc(Br)s1)C(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000096826629 JI Agent Anodyne Cc1ccc(C2=NN(C(=O)CN3CCN(C/C=C\c4ccccc4)CC3)[C@H](c3ccco3)C2)o1 ZINC000096831517 JI Agent Anodyne Cc1ccc(C2=NN(C(=O)CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H](c3ccco3)C2)o1 ZINC000096831524 JI Agent Anodyne COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)N1CCOCC1 ZINC000096833443 JI Agent Reactive Cc1ccc(S(=O)(=O)/N=C(\O)c2c(C)c(/C=C\C(=O)C(F)(F)F)n3ccccc23)cc1 ZINC000096835733 JI Agent Mild N#C/C(=C(/OCC(=O)c1ccc(Br)cc1)C(F)(F)F)c1nnc2n1CCCCC2 ZINC000096836841 JI Agent Reactive Cc1c(/C=C\c2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccc(Br)cc2c1=O ZINC000096839626 JI Agent Anodyne C[C@@H]1CSC(N(C(=O)CN(C)S(=O)(=O)/C=C\c2ccccc2)c2ccc(Cl)cc2)=N1 ZINC000096841062 JI Agent Anodyne C[C@H]1CSC(N(C(=O)CN(C)S(=O)(=O)/C=C\c2ccccc2)c2ccc(Cl)cc2)=N1 ZINC000096841063 JI Agent Anodyne O=C(/C=C\c1ccc(-n2ccnc2)cc1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000096841861 JI Agent Anodyne O=C(CN1CCN(C(=O)/C=C\c2cccc(Cl)c2Cl)CC1)Nc1ccccc1Cl ZINC000096841918 JI Agent Anodyne N#CCCn1cc(/C=C\C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)c2ccccc21 ZINC000096841957 JI Agent Mild Cc1cccc(NC(=O)CN2CCN(C(=O)/C=C\c3cc(Br)ccc3F)CC2)c1C ZINC000096841981 JI Agent Anodyne Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)/C=C\c2cc(C)n(Cc3ccco3)c2C)CC1 ZINC000096842646 JI Agent Anodyne Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096842718 JI Agent Anodyne CN(C/C(O)=N/c1nc(SCc2ccc(Cl)cc2)n[nH]1)S(=O)(=O)/C=C\c1ccccc1 ZINC000096842741 JI Agent Mild CN(CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1)S(=O)(=O)/C=C\c1ccccc1 ZINC000096843444 JI Agent Anodyne CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C\c1cc(C)n(-c2ccnn2C(C)C)c1C ZINC000096843913 JI Agent Anodyne Cc1sc(NC(=O)CN(C)S(=O)(=O)/C=C\c2ccccc2)nc1-c1ccc(F)c(F)c1 ZINC000096843986 JI Agent Anodyne O=C(CN1CCN(C/C=C\c2ccccc2)CC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000096845239 JI Agent Anodyne COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C\c1cc(Cl)c2c(c1)OCCO2 ZINC000096845465 JI Agent Anodyne O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)Nc1cc2c(cc1Br)OCCO2 ZINC000096845503 JI Agent Anodyne COc1ccccc1CN(Cc1cccs1)C(=O)CN(C)S(=O)(=O)/C=C\c1ccccc1 ZINC000096845530 JI Agent Anodyne COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)/C=C\c1cc(C)n(-c2cc(C)on2)c1C ZINC000096847340 JI Agent Anodyne CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C=C\c1ccc(-c2ccccc2F)o1 ZINC000096851136 JI Agent Anodyne O=C(Nc1cccc(/C=C\c2ccccn2)c1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000096851357 JI Agent Anodyne Cc1cc(-n2c(C)cc(/C=C\C(=O)N3CCN(Cc4nc5ccccc5s4)CC3)c2C)no1 ZINC000096851462 JI Agent Anodyne Brc1ccc2c(I)ncc(I)c2c1 ZINC000096854366 JI Agent Anodyne O=C(C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000096856768 JI Agent Anodyne O=C(C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000096856769 JI Agent Anodyne Cc1sc2nc(CN3CCN(C(=O)/C=C\c4ccc(-c5ccccc5F)o4)CC3)[nH]c(=O)c2c1C ZINC000096856790 JI Agent Anodyne Cc1ccc2nc(-c3ccccc3)c(NC(=O)CN(C)S(=O)(=O)/C=C\c3ccccc3)n2c1 ZINC000096858808 JI Agent Anodyne C=CCN(C(=O)/C=C\c1ccc2c(c1)OCCO2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000096858871 JI Agent Mild C=CCN(C(=O)/C=C\c1ccc2c(c1)OCO2)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000096858878 JI Agent Mild C=CCOc1ccc(/C=C\C(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)cc1 ZINC000096859085 JI Agent Mild O=C(CCCCc1nc2ccccc2s1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096859871 JI Agent Anodyne COc1cc(/C=C\C(=O)Nc2nnc(SCc3ccccc3F)s2)cc2c1OCCO2 ZINC000096860886 JI Agent Anodyne CCOc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)/C=C\c4ccc(C)cc4)CC3)o2)cc1 ZINC000096860892 JI Agent Anodyne Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)/C=C\c2cc(Cl)c3c(c2)OCO3)c1C ZINC000096860970 JI Agent Anodyne Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)/C=C\c2cc(Cl)c3c(c2)OCO3)c1C ZINC000096860971 JI Agent Anodyne COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C\c1cc(Cl)c2c(c1)OCO2 ZINC000096860974 JI Agent Anodyne NC(=O)[C@H]1Cc2ccccc2CN1C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000096861346 JI Agent Anodyne NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000096861347 JI Agent Anodyne NC(=S)/C(=C/c1ccccc1O)C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000096865455 JI Agent Anodyne Cc1c(C#N)c(NC(=O)COC(=O)/C=C\c2nc3ccccc3s2)n(Cc2ccco2)c1C ZINC000096869806 JI Agent Mild COc1cccc(/C=C\C(=O)N2CCN(Cc3nc4scc(-c5cccs5)c4c(=O)[nH]3)CC2)c1 ZINC000096871182 JI Agent Anodyne O=C(Cn1cnc2sccc2c1=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000096871521 JI Agent Anodyne Cc1cc(/C=C\C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c(C)n1C1CC1 ZINC000096872949 JI Agent Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)/C=C/c1cc(Br)ccc1F ZINC000096872996 JI Agent Anodyne Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)/C=C/c1cc(Br)ccc1F ZINC000096872997 JI Agent Anodyne COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)c2C)cc1 ZINC000096873018 JI Agent Reactive COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)c2C)cc1 ZINC000096873019 JI Agent Reactive CNS(=O)(=O)c1cc(/C=C\C(=O)OCc2nc3ccccc3c3ccccc23)ccc1OC ZINC000096876627 JI Agent Bother Cc1cc(CSc2ccccc2C(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)no1 ZINC000096879035 JI Agent Anodyne COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C\c1sc2ccccc2c1Cl ZINC000096879139 JI Agent Anodyne COc1ccc2cc(/C=C\C(=O)N3CCNC(=O)[C@H]3c3c(C)nn(-c4ccccc4)c3C)ccc2c1 ZINC000096879278 JI Agent Anodyne COc1ccc2cc(/C=C\C(=O)N3CCNC(=O)[C@@H]3c3c(C)nn(-c4ccccc4)c3C)ccc2c1 ZINC000096879279 JI Agent Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C ZINC000096883503 JI Agent Anodyne Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C\c1cc(C)n(C2CCCCC2)c1C ZINC000096883511 JI Agent Anodyne CC(C)[C@H](NC(=O)CN1C(=O)S/C(=C/c2cccs2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000096883530 JI Agent Anodyne CC(C)[C@@H](NC(=O)CN1C(=O)S/C(=C/c2cccs2)C1=O)c1ccc2c(c1)OCCCO2 ZINC000096883536 JI Agent Anodyne CCOc1cc(/C=C\C(=O)OCC(=O)c2cc3c4c(c2)CC(=O)N4CCC3)cc(Cl)c1OC ZINC000096888127 JI Agent Anodyne COc1ccc2cc(/C=C\C(=O)O[C@@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000096889534 JI Agent Anodyne COc1ccc2cc(/C=C\C(=O)O[C@H](C)C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000096889535 JI Agent Anodyne CCc1ccc(/C=C(/Cl)c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)cc1 ZINC000096891448 JI Agent Anodyne CCn1c(/C(Cl)=C\c2ccc(F)c(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000096891450 JI Agent Anodyne O=C(O)Cn1c(/C=C\c2ccc3c(c2)OCCO3)nc2scc(-c3cccs3)c2c1=O ZINC000096891520 JI Agent Anodyne CCCn1c(/C(Cl)=C\c2ccc(C#N)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000096891580 JI Agent Mild CCCn1c(/C(Cl)=C\c2ccc(F)c(F)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000096891582 JI Agent Anodyne COc1ccccc1-c1nn(-c2ccccc2)cc1/C=C\C(=O)N1CCN(c2ccncc2)CC1 ZINC000096891799 JI Agent Anodyne CSc1nnc(CCCNC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)n1C1CCCC1 ZINC000096891952 JI Agent Anodyne CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)/C(=C\c1cccs1)c1cccs1)n2CC ZINC000096892349 JI Agent Anodyne CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)/C=C\c1ccc(N2CCCCCC2)cc1 ZINC000096904509 JI Agent Clean CN(Cc1nc2ccccc2s1)C(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000096904793 JI Agent Anodyne Cc1cc(CN2CCN(C(=O)/C=C\c3cn(-c4ccccc4)nc3-c3cccs3)CC2)no1 ZINC000096904848 JI Agent Anodyne COc1ccc(Br)cc1/C=C\C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000096904873 JI Agent Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000096904875 JI Agent Anodyne Cc1cc(/C=C\C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)n1Cc1ccco1 ZINC000096904876 JI Agent Anodyne N#CCCn1cc(/C=C\C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2ccccc21 ZINC000096904893 JI Agent Mild CCOc1cc2c(cc1/C=C\C(=O)N1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)O[C@H](C)C2 ZINC000096904897 JI Agent Anodyne CCOc1cc2c(cc1/C=C\C(=O)N1CCC(C(=O)Nc3ccc4c(c3)OCO4)CC1)O[C@@H](C)C2 ZINC000096904898 JI Agent Anodyne CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cs1 ZINC000096904932 JI Agent Anodyne COc1ccc(-c2noc(CCCCCNC(=O)/C=C\c3cc(OC)c4c(c3)OCCO4)n2)cc1 ZINC000096904956 JI Agent Anodyne O=C(CN1CCN(C/C=C\c2ccccc2)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000096905309 JI Agent Anodyne CC(=O)N(c1cccc(C)c1)c1nc(CN2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cs1 ZINC000096905365 JI Agent Anodyne O=C(Cn1nnc(-c2ccsc2)n1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000096908352 JI Agent Anodyne O=C(/C=C\c1cn(Cc2ccccc2)nn1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000096912029 JI Agent Clean COc1cccc(Cn2nc(C)c(/C=C\C(=O)N(C)Cc3ccccc3N3CCOCC3)c2Cl)c1 ZINC000096912150 JI Agent Anodyne Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000096912152 JI Agent Anodyne CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N(C)Cc2ccccc2N2CCOCC2)cs1 ZINC000096912647 JI Agent Anodyne CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000096912695 JI Agent Clean COc1ccc(/C=C\C(=O)N(C)Cc2ccccc2N2CCCC2)cc1S(=O)(=O)N1CCCCC1 ZINC000096912727 JI Agent Anodyne COc1cc(/C=C\C(=O)N2CCN(Cc3ccsc3)CC2)ccc1OCc1c(C)noc1C ZINC000096913005 JI Agent Anodyne CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N2CCN(Cc3ccsc3)CC2)cs1 ZINC000096913006 JI Agent Anodyne CCOC(=O)/C=C1/SCC(=O)N1CCSc1nnc(-c2cccc(OC)c2)n1-c1ccccc1 ZINC000096915689 JI Agent Anodyne Cc1ccc(Cn2nc(C)c(/C=C\C(=O)O[C@@H](C)C(=O)Nc3cccnc3Cl)c2C)cc1 ZINC000096917222 JI Agent Anodyne Cc1ccc(Cn2nc(C)c(/C=C\C(=O)O[C@H](C)C(=O)Nc3cccnc3Cl)c2C)cc1 ZINC000096917225 JI Agent Anodyne COc1c(Br)cc(Br)cc1/C=C\C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000096920156 JI Agent Mild COc1ccc(/C=C\C(=O)N2CCc3sccc3[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000096920675 JI Agent Anodyne COc1ccc(/C=C\C(=O)N2CCc3sccc3[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000096920676 JI Agent Anodyne COc1ccc(/C=C\C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1S(=O)(=O)N(C)C ZINC000096920711 JI Agent Anodyne COc1ccc(/C=C\C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1S(=O)(=O)N(C)C ZINC000096920712 JI Agent Anodyne CCOc1cc(/C=C\C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)ccc1OC(F)F ZINC000096920731 JI Agent Anodyne CCOc1cc(/C=C\C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)ccc1OC(F)F ZINC000096920732 JI Agent Anodyne COc1cccc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1OC(F)F ZINC000096921025 JI Agent Clean C#CCOc1c(Cl)cc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000096921026 JI Agent Mild Cc1c(C#N)c(NC(=O)CN2CCN(C/C=C\c3ccccc3)CC2)n(Cc2ccccc2)c1C ZINC000096923292 JI Agent Mild COc1cccc(NC(=O)CN(C)C(=O)/C=C\c2ccc(OCc3cn4ccccc4n3)cc2)c1 ZINC000096924807 JI Agent Anodyne COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1OC ZINC000096924853 JI Agent Anodyne O=C(O)/C=C\c1ccc(S(=O)(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000096924857 JI Agent Anodyne COc1ccc(NC(=O)[C@H](C)Oc2ccc(/C=C3/N=C4CCCCCN4C3=O)cc2OC)cc1 ZINC000096924910 JI Agent Anodyne COc1ccc(NC(=O)[C@@H](C)Oc2ccc(/C=C3/N=C4CCCCCN4C3=O)cc2OC)cc1 ZINC000096924911 JI Agent Anodyne CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000096924986 JI Agent Anodyne CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C\c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000096925208 JI Agent Clean Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000096925249 JI Agent Anodyne Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000096925250 JI Agent Anodyne Cc1cc(-n2c(C)cc(/C=C\C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2C)no1 ZINC000096925252 JI Agent Anodyne Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000096925271 JI Agent Anodyne CN(Cc1ccccc1N1CCCC1)C(=O)/C=C\c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000096925332 JI Agent Anodyne CCCCc1oc2ccccc2c1/C=C\C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000096925372 JI Agent Anodyne C[C@H](OC(=O)/C=C\C1=Cc2cc(Cl)ccc2OC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000096925427 JI Agent Anodyne C[C@@H](OC(=O)/C=C\C1=Cc2cc(Cl)ccc2OC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000096925428 JI Agent Anodyne Cc1c(C#N)c(NC(=O)COC(=O)/C=C\c2ccc3c(c2)OCCO3)n(Cc2ccc(F)cc2)c1C ZINC000096925525 JI Agent Mild CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)/C=C\c2sc3ccccc3c2Cl)cc1 ZINC000096925811 JI Agent Anodyne C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc(OCC(=O)NCC)c(OC)c3)c12 ZINC000096925859 JI Agent Mild C/C=C\c1cc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc(OC)c1OC ZINC000096925987 JI Agent Anodyne COc1cc(OC)cc([C@@H](NC(=O)/C=C\c2ccccc2Br)c2nccn2C)c1 ZINC000096926454 JI Agent Anodyne COc1cc(OC)cc([C@H](NC(=O)/C=C\c2ccccc2Br)c2nccn2C)c1 ZINC000096926455 JI Agent Anodyne COc1cc(OC)cc([C@H](NC(=O)/C=C\c2cc(C)n(Cc3ccco3)c2C)c2nccn2C)c1 ZINC000096926464 JI Agent Anodyne COc1cc(OC)cc([C@@H](NC(=O)/C=C\c2cc(C)n(Cc3ccco3)c2C)c2nccn2C)c1 ZINC000096926465 JI Agent Anodyne O=C(/C=C\c1ccc(SC(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000096930363 JI Agent Mild COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1OC ZINC000096930725 JI Agent Anodyne COc1cc(/C=C\C(=O)OCc2ncc(Cl)n2C)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000096931134 JI Agent Anodyne O=C(NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)NCc1ccc(Cn2cccn2)cc1 ZINC000096931156 JI Agent Anodyne CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000096931163 JI Agent Mild CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000096931228 JI Agent Anodyne CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000096931229 JI Agent Anodyne COc1ccccc1N(CC(=O)NCc1ccc(C)c(F)c1)S(=O)(=O)/C=C\c1ccccc1 ZINC000096931353 JI Agent Anodyne COc1ccccc1N(CC(=O)Nc1cc(F)cc(F)c1)S(=O)(=O)/C=C\c1ccccc1 ZINC000096931355 JI Agent Anodyne COc1cc(OC)c(C2=CCN(C(=O)/C=C\c3cc(Cl)c4c(c3)OCCO4)CC2)c(OC)c1 ZINC000096932029 JI Agent Anodyne Nc1c(N(Cc2ccccc2)C(=O)/C=C\c2cc3ccccc3o2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000096935556 JI Agent Anodyne O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000096935584 JI Agent Anodyne O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000096935721 JI Agent Anodyne Cc1cc(C)n(CCC(=O)NCCN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)n1 ZINC000096935823 JI Agent Anodyne CC(=O)N(c1nc(/C=C2\SC(=S)N(CCN(C)C)C2=O)cs1)c1cccc(C)c1C ZINC000096935940 JI Agent Clean CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2\SC(=S)N(CCN(C)C)C2=O)cs1 ZINC000096935941 JI Agent Clean Cc1nc(/C=C\C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC(F)(F)F)cs1 ZINC000096936020 JI Agent Anodyne COc1cc(/C=C\C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)ccc1OCC#N ZINC000096936566 JI Agent Mild COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2SC(F)F)c1C ZINC000096936580 JI Agent Reactive C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096936585 JI Agent Anodyne C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096936586 JI Agent Anodyne COc1cc(/C=C\C(=O)OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc(OC)c1OC ZINC000096936684 JI Agent Mild COc1cc(/C=C\C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc(OC)c1 ZINC000096936962 JI Agent Anodyne CCOC(=O)c1c(NC(=O)/C=C\c2ccc(-c3ccccc3F)o2)sc2c1CCS(=O)(=O)C2 ZINC000096936978 JI Agent Anodyne CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)/C=C\c1cc2cccc(OC)c2o1 ZINC000096937109 JI Agent Anodyne O=C(c1ccc(Cn2cncn2)cc1)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000096937234 JI Agent Anodyne CCOc1c(Br)cc(Cl)cc1NC(=O)CN(C)S(=O)(=O)/C=C\c1ccccc1 ZINC000096937270 JI Agent Anodyne CCCn1c(/C(Cl)=C\c2cccc(C#N)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000096939778 JI Agent Mild C/C=C\c1ccc(OC[C@H](O)Cn2c(CS(=O)(=O)c3ccccc3)nc3ccccc32)c(OC)c1 ZINC000096939925 JI Agent Anodyne C/C=C\c1ccc(OC[C@@H](O)Cn2c(CS(=O)(=O)c3ccccc3)nc3ccccc32)c(OC)c1 ZINC000096939927 JI Agent Anodyne O=C(CN(Cc1ccccc1)S(=O)(=O)/C=C\c1ccccc1)N1CCc2sccc2C1 ZINC000096939930 JI Agent Anodyne COc1ccccc1[C@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)/C=C\c1ccccc1 ZINC000096939938 JI Agent Anodyne COc1ccccc1[C@@H](C)NC(=O)CN(c1ccccc1OC)S(=O)(=O)/C=C\c1ccccc1 ZINC000096939940 JI Agent Anodyne CNC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)C[C@H](C)C2 ZINC000096940628 JI Agent Clean CNC(=O)CN(C)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(C)C)cc1)C[C@@H](C)C2 ZINC000096940629 JI Agent Clean O=C(N[C@@H]1CCS(=O)(=O)C1)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 ZINC000096940634 JI Agent Anodyne O=C(N[C@H]1CCS(=O)(=O)C1)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 ZINC000096940635 JI Agent Anodyne C/C=C\c1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc(OC)c1OC ZINC000096940636 JI Agent Anodyne C/C=C\c1cc(C(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)cc(OC)c1OC ZINC000096940640 JI Agent Anodyne CCOc1ccccc1/C=C\C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000096941023 JI Agent Anodyne COc1ccc(C)cc1/C=C\C(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000096941027 JI Agent Anodyne COc1ccc(Br)cc1/C=C\C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000096941036 JI Agent Anodyne Cc1ccc(-c2noc(CN3CCN(C(=O)/C=C\c4ccccc4OC(F)F)CC3)n2)cc1 ZINC000096941055 JI Agent Anodyne CC(C)[C@H](NC(=O)COC(=O)/C=C\c1cccc2cccnc12)c1ccc2c(c1)OCCCO2 ZINC000096941190 JI Agent Anodyne CC(C)[C@@H](NC(=O)COC(=O)/C=C\c1cccc2cccnc12)c1ccc2c(c1)OCCCO2 ZINC000096941191 JI Agent Anodyne Cc1nc(COc2ccccc2/C=C\C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cs1 ZINC000096941391 JI Agent Anodyne COc1cc(/C=C\C(=O)Nc2cnc3c(c2)c(C)nn3C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000096942164 JI Agent Anodyne O=C(CSc1n[nH]c(/C=C\c2ccc(F)cc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096942219 JI Agent Anodyne O=C(CSc1n[nH]c(/C=C\c2ccc(F)cc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000096942220 JI Agent Anodyne CC(C)(C)C(=O)NCCCC(=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O ZINC000096942865 JI Agent Anodyne O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000096943522 JI Agent Anodyne O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000096943524 JI Agent Anodyne CS(=O)(=O)N1CCCN(c2nc(/C=C\c3ccccc3)nc3sc4c(c23)CCCC4)CC1 ZINC000096943808 JI Agent Anodyne Cc1ccc(/C=C\c2nn(CN3CCN(CCOc4ccc(Cl)cc4)CC3)c(=S)[nH]2)o1 ZINC000096973143 JI Agent Anodyne Cc1ccc(/C=C\c2nn(CN3CCN(CCOc4ccccc4Cl)CC3)c(=S)[nH]2)o1 ZINC000096973176 JI Agent Anodyne COC(=O)/C=C\c1ccc(OCc2nnc(-c3ccc(Br)s3)o2)c(OC)c1 ZINC000096988725 JI Agent Anodyne CCOc1cc(/C=C\C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)ccc1OCCOc1ccccc1 ZINC000096991405 JI Agent Anodyne CCOc1cc(/C=C\C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)ccc1OCCOc1ccccc1 ZINC000096991406 JI Agent Anodyne COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C\c2c(C)nn3c(C(F)(F)F)ccnc23)c1 ZINC000096993367 JI Agent Anodyne COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C\c2c(C)nn3c(C(F)(F)F)ccnc23)c1 ZINC000096993368 JI Agent Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)N[C@@H](C)c1nnc2n1CCCCC2 ZINC000096993835 JI Agent Anodyne Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)N[C@H](C)c1nnc2n1CCCCC2 ZINC000096993838 JI Agent Anodyne Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C\C(=O)OCC(=O)NC(=O)c1ccc[nH]1 ZINC000096993893 JI Agent Anodyne COc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3)C(=O)N2C2CCCC2)cc1 ZINC000096994083 JI Agent Anodyne COc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3)C(=O)N2C2CCCC2)cc1 ZINC000096994085 JI Agent Anodyne COc1ccc(CCNC(=O)/C(C#N)=C\c2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)cc1OC ZINC000096998153 JI Agent Reactive C[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000096998222 JI Agent Anodyne C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000096998229 JI Agent Anodyne COc1cc(/C=C\C(=O)Nc2ccccc2-n2cncn2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000097002981 JI Agent Anodyne O=C(NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)c1ccc(CSC(F)F)o1 ZINC000097005092 JI Agent Anodyne COc1cc(/C=C\C(=O)Nc2nnc(C(F)(F)F)s2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000097013849 JI Agent Anodyne C/C=C\c1ccc(OC[C@H](O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)c(OC)c1 ZINC000097013908 JI Agent Anodyne C/C=C\c1ccc(OC[C@@H](O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)c(OC)c1 ZINC000097013913 JI Agent Anodyne CC(=O)N(c1nc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)O)cs1)c1ccc(F)cc1F ZINC000097026891 JI Agent Anodyne COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1OC ZINC000097029954 JI Agent Anodyne O=C1[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000097046407 JI Agent Anodyne O=C1[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)N1CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000097046410 JI Agent Anodyne COc1cc(NC(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)c(C(=O)O)cc1OC ZINC000097064008 JI Agent Anodyne COC(=O)c1c(C(=O)OC)c(-c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)n2c1CCC2 ZINC000097073429 JI Agent Anodyne CCOc1ccccc1/C=C\C(=O)Nc1ccc(-c2c(C(=O)OC)c(C(=O)OC)cn2C)cc1 ZINC000097096924 JI Agent Anodyne Cc1ccc(Cn2nc(C)c(/C=C\C(=O)N(C)S(=O)(=O)c3ccc(F)cc3)c2Cl)cc1 ZINC000097173632 JI Agent Anodyne O=C(COC(=O)[C@@H]1CCCN1/C=C\C(=O)C(F)(F)F)Nc1cc(Cl)c(Cl)cc1Cl ZINC000097212218 JI Agent Mild O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2)NCc1ccco1 ZINC000097642666 JI Agent Anodyne COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc3cccnc3Cl)c2C)cc1 ZINC000097654693 JI Agent Reactive COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)c3ccc4c(c3)OCO4)c2C)cc1 ZINC000097654695 JI Agent Reactive COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N(C)Cc3cccs3)c2C)cc1 ZINC000097654698 JI Agent Reactive COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1C ZINC000097654760 JI Agent Reactive COCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1C ZINC000097654764 JI Agent Reactive CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1C ZINC000097657812 JI Agent Reactive Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)c(C)n1CC(C)C ZINC000097664601 JI Agent Reactive COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C(=O)/C2=C\Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000097831253 JI Agent Anodyne Cc1ccc(S(=O)(=O)OCC(COS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000097947781 JI Agent Mild CCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000097962430 JI Agent Anodyne CCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000097962431 JI Agent Anodyne CC/C=N/[C@@H]1C[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)O1 ZINC000097973363 JI Agent Anodyne CC/C=N/[C@H]1C[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](COC(=O)C(C)(C)C)O1 ZINC000097973364 JI Agent Anodyne N#Cc1ccc(Nc2cc(N)c(Br)c(Cc3c(CO)cc(C#N)cc3CO)c2)cc1 ZINC000097974473 JI Agent Anodyne N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc(O)c2c3c(sc2n1)CCCC3 ZINC000097990719 JI Agent Reactive CC(=O)N(c1nc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCCO3)cs1)c1ccccc1F ZINC000097990750 JI Agent Reactive COc1cc(/C=C(/Cl)c2nc(O)c3ccc(C(=O)O)cc3n2)cc(Br)c1O ZINC000097992416 JI Agent Anodyne COc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 ZINC000097994132 JI Agent Reactive Cc1sc2nc(/C(=C/c3cc(Cl)c4c(c3)OCO4)C(=O)N3CCCC3)[nH]c(=O)c2c1C ZINC000097996075 JI Agent Anodyne O=C(NCCN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)c1ccc(-n2cncn2)cc1 ZINC000097996778 JI Agent Anodyne CCc1cc2oc(=O)cc(COC(=O)CO/N=C(/C)c3ccc4c(c3)OCO4)c2cc1Cl ZINC000097998282 JI Agent Mild CCOC(=O)/C=C1/SCC(=O)N1CCSc1nc2ccccc2c2nc3ccccc3n12 ZINC000097998924 JI Agent Bother COCCCN1C(=O)/C(=C/c2csc(N(C(C)=O)c3ccccc3F)n2)SC1=S ZINC000098002426 JI Agent Clean COc1cccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCCO4)C2=O)c1OC(F)F ZINC000098002430 JI Agent Clean O=S(=O)(/C=C\c1ccccc1)N1CCN(Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)CC1 ZINC000098053626 JI Agent Anodyne CC(C)n1c(=S)n(CN2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c2ccccc21 ZINC000098053627 JI Agent Anodyne COc1ccc(NS(=O)(=O)c2ccc(N/N=C(\C)c3ccc(OC)cc3F)c([N+](=O)[O-])c2)cc1 ZINC000098053658 JI Agent Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000098054354 JI Agent Anodyne