diff --git "a/MUV_548/data_clean.csv" "b/MUV_548/data_clean.csv" new file mode 100644--- /dev/null +++ "b/MUV_548/data_clean.csv" @@ -0,0 +1,14735 @@ +SMILES,MUV-548 +Cn1ccnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1,0 +O=C1/C(=C/NC2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1ccccc1,0 +CCCc1cc(=O)nc(SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)[nH]1,0 +CCn1cnc2c1c(=O)n(CC(=O)Nc1cc(C)on1)c(=O)n2Cc1ccccc1,0 +Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)OC2=C1C(=O)CCC2,0 +CN(C)C1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1,0 +Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)oc2ccccc12,0 +Cc1cc(N2CCOCC2)n2nc(-c3cccc(F)c3)cc2n1,0 +COc1cc(C)nc(NS(=O)(=O)c2ccc(C)cc2)n1,0 +Cc1ccc(Nc2nc(C(=O)NCc3ccco3)cs2)cc1,0 +CCc1cc2c(CN3CCN(CCO)CC3)cc(=O)oc2cc1O,0 +O=C(Cc1cccs1)N1CCN(C(=O)C2CCCO2)CC1,0 +Cc1ccc(S(=O)(=O)NC(=O)Nn2c(C)nnc2C)cc1,0 +Cn1cnnc1SCC(=O)OCN1C(=O)c2ccccc2C1=O,0 +CC(C)(C)n1nnnc1C(c1ccncc1)N1CCCCCC1,0 +CC1(C)CN=C(N2CCN(C3=NCC(C)(C)S3)CC2)S1,0 +CCCOc1ccc(C(=O)NCc2cccnc2)cc1,0 +CC1=C(C(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)C2(CCCCC2)OC1=O,0 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+COc1nc(N2CCOCC2)nc(-n2cccc2)n1,0 +O=C1c2ccccc2N(Cc2ccc(Cl)cc2)C2=NCCN12,0 +COC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1,0 +CC(/C=N/n1cnnc1)=C\c1ccco1,0 +O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccccn2)CC1,0 +CCCCOc1ccc(Cl)cc1CSc1nnc(CC)n1N,0 +O=C(Nn1cnnc1)c1cc2c(s1)CCCCC2,0 +COc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1,0 +C=CCNc1nc(-c2sc(NC(=O)CC)nc2C)cs1,0 +Cc1nc2cc(NC(=O)NCc3ccco3)ccc2n1C,0 +CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0 +CC(C)c1ccc(C(=O)CSc2ncn[nH]2)cc1,0 +COc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(OC)c(OC)c1,0 +COc1ccc(Cl)cc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1,0 +COc1cccc(-n2nnc3c(=O)n(Cc4cccc(F)c4)cnc32)c1,0 +O=C(Sc1nnc(-c2ccccc2)o1)N1c2ccccc2Sc2ccccc21,0 +O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCCCN1CCCC1,0 +CCn1cc(C(=O)N2CCc3ccccc32)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0 +CC(C)n1c(SCc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C,0 +Cc1nc2nc[nH]n2c(=O)c1NC(=O)CC12CC3CC(CC(C3)C1)C2,0 +CCCCn1c(SCC(=O)N2CCCCC2)nc2cc(S(N)(=O)=O)ccc21,0 +OC(COCc1ccco1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1,0 +Nn1c(Cc2cccc3ccccc23)nnc1SC1CCOC1=O,0 +O=C(CSc1nnnn1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0 +CCc1nc(N)c(C#N)c(-c2cccn2C)c1C,0 +COc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1,0 +CCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1nc2ccccc2s1,0 +COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)n[nH]c1C,0 +CC(=O)Nc1cccc(N(C)C)c1,0 +COCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccc(OC)cc1,0 +COc1cc2c(cc1OC)CN(c1ccc(-c3ccccc3OC)nn1)CC2,0 +CC1(C)Cn2c(nnc2-c2ccccc2)S1,0 +COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3CC(C)=O)CC2)cc1,0 +CN1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1,0 +CCN(CCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1,0 +CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2s1,0 +CCOC(=O)C1CCCN(c2c(NCCCN3CCCC(C)C3)c(=O)c2=O)C1,0 +CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1,0 +COc1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1OC,0 +O=C(NCC1COc2ccccc2O1)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1,0 +Cc1cc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)no1,0 +O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)N1CCCCCC1,0 +Cc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCc1ccc2c(c1)OCO2,0 +COc1ccccc1CNC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C,0 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+COc1ccccc1N1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1,0 +CCCN(CCC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O,0 +Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCC(C)CC4)cnc32)cc1,0 +CC(C)c1nnc(NC(=O)CCC(=O)NCC2CCCO2)s1,0 +O=C1CC(c2ccco2)Cc2nc(Nc3ccc(F)cc3)ncc21,0 +COC(=O)c1ccc(Cl)c(NC(=O)CSc2ncn[nH]2)c1,0 +O=C(CCCn1nnc(-c2cccnc2)n1)c1ccc(F)cc1,0 +COc1ccc(Cc2nnc(NS(=O)(=O)Cc3ccccc3)s2)cc1,0 +COc1ccc(CCn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0 +Cc1cccc2nc(=S)n(C(=O)c3ccco3)n12,0 +COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1,0 +COCCn1c(SCc2ccc(C(=O)OC)o2)nc2ccccc2c1=O,0 +COC(=O)Cn1cnc2cccc3cccc1c32,0 +C=CCn1cnc2c(NCc3ccccc3)ncnc21,0 +COc1ccccc1NC(=O)CCN1C(=O)C2CC=C(Cl)CC2C1=O,0 +Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2C)n1,0 +CCOc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OCC,0 +O=C(NCCN1CCOCC1)c1cc(-c2cccs2)on1,0 +C=CC/N=c1\sc(C(=O)OC)cc(=O)n1CC=C,0 +Oc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc1,0 +O=C(CN1CCN(CCOCCO)CC1)N1c2ccccc2Sc2ccc(Cl)cc21,0 +COc1ccccc1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C,0 +O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccc2F)CC1,0 +O=C(O)c1cccnc1SCc1ccccc1,0 +Clc1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,0 +Cc1cc(C)c2c(n1)nn1c(N3CCN(c4ccccn4)CC3)cc(C)nc21,0 +CCOC(=O)N1CCN(c2nc(C)c3c(n2)CCCC3=O)CC1,0 +CC(C)CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C,0 +O=C(Cc1ccccc1)Nc1nnc(-c2ccco2)s1,0 +Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCN(CCO)CC1,0 +Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)s1,0 +C=CCn1/c(=N/C(=O)C2CC2)sc2cc(NC(C)=O)ccc21,0 +c1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1,0 +CC(C)(C)OC(=O)NCCc1nnc(SCc2ccccc2Cl)o1,0 +Cc1nn2c(-c3ccc(Cl)cc3)nnc2s1,0 +CCn1c(SCc2cccc(OC)c2)nnc1-c1ccco1,0 +CN(C)S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1,0 +Cn1c(Cc2cccs2)n[nH]c1=S,0 +COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)Nc1ccccc1OC,0 +N#CC1=C(NCc2ccccc2)C(=O)NCCC1,0 +N#CC1=C(N)OC2=C(C(=O)CCC2)C1C1C=CCCC1,0 +CCn1nnc(NC(=O)c2cc3ccccc3o2)n1,0 +COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCCC1,0 +Nc1c(C(=O)NCc2ccco2)nnn1Cc1ccccc1,0 +COc1ccc(S(=O)(=O)n2ccnc2)c2cccnc12,0 +O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1ccc(N2CCOCC2)c(Cl)c1,0 +Cc1cccc(-n2c(-c3ccco3)nc3ccccc3c2=O)n1,0 +Cc1ccc(S(=O)(=O)CCc2ccccn2)cc1,0 +O=C(CCCCCN1C(=O)CCC1=O)Nc1ncn[nH]1,0 +CCOC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O,0 +O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc2C1,0 +Nc1ncnc2nc(SCc3ccccc3)[nH]c12,0 +OC1(c2ccccc2F)CCN(Cc2nnc(-c3ccccc3)o2)CC1,0 +CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)n1,0 +C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(CO)NC(=O)c1ccccc1,0 +O=C1Nc2ccccc2SC(c2ccccc2)C1O,0 +COC(=O)Cn1c(CCS(=O)(=O)c2ccc(C)c(C)c2)nc2ccccc21,0 +Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2CCO,0 +CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1,0 +CSc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1,0 +CCSc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1,0 +Cc1cc(C)n2nc(SC(C)C(=O)N3CCC4(CC3)OCCO4)nc2n1,0 +O=C(CN1CCOc2ccccc21)NCc1ccccc1,0 +CC1(C)CC(=O)c2cnc(NC(=O)Cc3ccc(Cl)cc3)nc2C1,0 +O=C1C=C(Cl)C=C/C1=C1/NNC=C1C(=O)c1ccco1,0 +O=C(Nc1ccc2nc[nH]c2c1)c1ccco1,0 +C(=N/n1cnnc1SCc1ccccc1)\c1ccco1,0 +Cc1ccc(C)n1-c1ncn[nH]1,0 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+O=C1c2ccccc2C(=O)C1c1ccncc1,0 +Cc1nn2c(-c3cccc(NC(=O)CN4CCOCC4)c3)nnc2c2ccccc12,0 +CCOC(=O)c1cc2sccc2n1CC(=O)c1ccc2c(c1)OCCO2,0 +O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)Nc1nccs1,0 +O=C(O)c1cccc(CN2C(=O)SC(Nc3ccccc3)C2=O)c1,0 +Cc1cc(NCCCN2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1,0 +Cc1ccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c(C)c1,0 +CCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0 +COc1ccc(CCn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)cc1,0 +CCOc1ccc(-c2nnc(N)s2)cc1,0 +O=C(CCNc1ccc(F)c(Cl)c1)c1ccco1,0 +CCCc1nnc(NC(=O)CCC(=O)N2CCCCCC2)s1,0 +CCC(C)C(NC(=O)NC1CCCc2ccccc21)C(=O)O,0 +CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccnc2)cc1,0 +Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(C)OC(C)C1,0 +CCOc1ccccc1NC(=O)CSc1nnnn1Cc1ccccc1,0 +Cn1c(NC(=O)C2CCCC2)cc(=O)n(C)c1=O,0 +COc1ccc(Cl)cc1C(=O)Nc1cc(=O)n(C)c(=O)n1C,0 +O=CNC1CCCc2c1[nH]c1ccc(Cl)cc21,0 +Cc1cccn2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12,0 +Cc1ccc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2c1,0 +O=C(CSc1ncn[nH]1)Nc1nc(-c2ccccc2)ns1,0 +CNC(=O)N(O)C1N(C)C(=O)N(Cc2ccccc2)C1(C)C,0 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+O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc21,0 +C(=N/n1cnnc1)\c1ccc(-c2ccccc2)cc1,0 +CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)CC1,0 +Cc1c(C(=O)N2CC(C)OC(C)C2)oc2ccccc12,0 +Cn1c2ccccc2c2ncn(CCN3CCOCC3)c(=O)c21,0 +CN(C)CCNc1oc(-c2ccccc2F)nc1C#N,0 +Cc1nn(C)cc1CNC(=O)C1C2CCC(O2)C1C(=O)O,0 +COc1cccc(N2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)c1,0 +O=c1nc(SCc2cc(=O)n3ccccc3n2)[nH]c2c1CCC2,0 +COc1ccc(CCC(=O)NCc2cnn(C)c2)cc1,0 +NC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)sc2c1CCC2,0 +COc1ccccc1N1CCN(C(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)CC1,0 +Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCCn3ccnc3)cc12,0 +Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1N1CCOCC1,0 +COc1cc2c(C#N)c(N3CCc4ccccc4C3)nc(N)c2c(N)n1,0 +CN1CCN(S(=O)(=O)c2ccc(-c3noc(C4CCN(S(C)(=O)=O)CC4)n3)cc2)CC1,0 +O=C(O)CNC(=O)c1ccccc1NC(=O)c1ccco1,0 +O=C(CSc1nncs1)NC(=O)NCc1ccccc1,0 +O=C(Cn1nnc(-c2ccccc2F)n1)NCCc1ccccc1,0 +CC(C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2,0 +COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(CCO)CC1,0 +Cc1nc(NC2=NCN(CCc3ccccc3)CN2)nc2c(C)cccc12,0 +COc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1,0 +O=C(O)c1cccc(N2CCCC2)c1,0 +CCCc1cc(N2CCCC(C(=O)Nc3ccc(OC)cc3OC)C2)n2ncnc2n1,0 +O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc2c(c1)OCO2,0 +C(=C/c1ccccc1)\CN1CCN(c2ncnc3c2oc2ccccc23)CC1,0 +O=C(NCc1ccco1)c1noc2c1CCCC2,0 +Cc1nnc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)s1,0 +COC(=O)c1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1,0 +O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCCC1=CCCCC1,0 +Cc1n[nH]c(=O)nc1NCc1ccco1,0 +CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)scc12,0 +Cc1nn(-c2nc(=O)c(C)n[nH]2)c(C)c1SCC(=O)Nc1ccc(F)cc1,0 +CNC(=O)c1ccccc1N/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O,0 +CCn1c(CN2CCCCCC2=O)nnc1SCc1cnc(-c2ccccc2)s1,0 +C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nnc1-c1ccncc1,0 +COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)C3)cc1,0 +CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1,0 +CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)C3)cc1,0 +COc1cccc(NC(=O)CSc2nnnn2C(C)C)c1,0 +CC(C)(C)NC(=O)C(c1ccccc1F)N(Cc1ccco1)C(=O)c1csnn1,0 +CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1nc(C)cs1,0 +CC1CN(c2nc(-c3ccccc3)nc3ccccc23)CC(C)O1,0 +Cc1cc(C)c2c(N)c(C(=O)N3CCCCCC3)sc2n1,0 +CCOC(=O)c1sc(NC(=O)CSc2nnc3c4ccccc4n(C(C)C)c3n2)nc1C,0 +Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCCCN3CCOCC3)o2)c1,0 +COc1ccc(N)cc1C#N,0 +Cc1cc(NC(=O)c2ccccc2F)n(-c2nc3ccccc3[nH]2)n1,0 +COc1cccc(-n2nnnc2SCC(=O)Nc2cccc(C)n2)c1,0 +Cc1cc(C)c2c(n1)nn1c(N3CCN(c4ccccc4)CC3)cc(C)nc21,0 +c1ccc(-n2cnc3cc(NCc4ccncc4)ccc32)cc1,0 +CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1,0 +CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCCOC)cn2C,0 +Fc1ccccc1CSc1nnc(-c2cccs2)o1,0 +O=S(=O)(Nn1cnnc1)c1ccccc1Cl,0 +CC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1,0 +COC(=O)c1c(NC(=O)c2ccco2)sc2c1C(C(=O)OC)CC2,0 +CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccn2)cc1,0 +O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1N1CCOCC1,0 +c1ccc(CCc2nn3c(-c4ccncc4)nnc3s2)cc1,0 +N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1,0 +COc1ccccc1-c1cc(C(=O)Nc2ccccc2SC)no1,0 +COc1ccc(-c2nc3scc(-c4ccccc4)n3n2)cc1,0 +CCOC(=O)COc1ccc(-c2nnc(-c3ccccc3)o2)cc1,0 +Cc1cccc(OCc2nc(C#N)c(NCCN(C)C)o2)c1,0 +N#CC1=C(N)OC2=C(CCC/C2=C/c2ccoc2)C1c1ccoc1,0 +CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1,0 +CCn1c(=O)cc(SCC(=O)NCc2cccnc2)c2ccccc21,0 +COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,0 +CCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)cc1,0 +CCOc1ccc(/C=N/C23CN4CN(CN(C4)C2)C3)cc1,0 +COc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1,0 +Cc1cc2nncn2c(Cc2ccccc2)n1,0 +c1coc(CNc2nc(-c3ccncc3)cs2)c1,1 +O=C(NCc1cccs1)c1cc(-c2ccccc2)on1,0 +CC1Cc2nc(SCC(N)=O)n(Cc3ccccc3)c(=O)c2S1,0 +O=C(CNC(=O)c1ccco1)Nc1cc(Cl)ccc1N1CCOCC1,0 +CCN(CC)C(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl,0 +Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c(C)c1,0 +C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccccn1,0 +COC(=O)C(NC(=O)c1ccco1)(Nc1nc(C)cs1)C(F)(F)F,0 +CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)NC1CCCCC1,0 +O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccco2)n1Cc1ccccc1,0 +Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)s1,0 +c1ccc2c(N3CCCCC3)nc(N3CCCC3)nc2c1,0 +Cc1ccc(-n2c(SCC(N)=O)nnc2-c2cccnc2)c(C)c1,0 +CCN(C(=O)c1cc2cc(OC)ccc2oc1=O)c1ccccc1,0 +Cc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1,0 +Clc1ccc(-c2noc(CN3CCCC3)n2)cc1,0 +CCOc1nc(C)ccc1-c1noc(-c2ccncc2)n1,0 +COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CSc1ccccn1,0 +CCOC(=O)C1=C(CSc2nc(-c3ccncc3)ccc2C#N)OC(N)=C(C#N)C1c1cccnc1,0 +CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C,0 +CCN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O,0 +Cc1c(C(=O)N(C)Cc2ccccc2)oc2ccc(S(=O)(=O)N3CCCC3)cc12,0 +CC(C)c1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc(N(C)C)cc3)CC2)cc1,0 +Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C)o4)nc32)cc1,0 +CCOCc1[nH]c(N)nc(=O)c1Cc1ccc(OC(C)C)cc1,0 +O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)N1CCOCC1,0 +Cc1cccc(N(C)S(=O)(=O)c2cccc3nsnc23)c1,0 +COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)c1,0 +Cc1[nH]nc2c1C(c1ccoc1)C(C#N)=C(N)O2,0 +CC(=O)c1c(C)nc2ccccc2c1N,0 +Cc1c(C(=O)N2CC(C)OC(C)C2)sc2nc(-c3ccc(F)cc3)cn12,0 +Cc1nc(C)c(-c2csc(Nc3cccnc3)n2)s1,0 +CCCCN1C(=O)c2ccc(C(=O)Nc3cccnc3)cc2C1=O,0 +CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccco2)c1,0 +O=C(O)c1ccccc1NCc1ccncc1,0 +Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2nnc(C)s2)cc1,0 +Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2C)s1,0 +CCc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2C)s1,0 +O=C(OCc1cc2ccccc2[nH]c1=O)c1ccncc1,0 +CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1,0 +CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1,0 +CCOC(=O)c1c(C#N)c(SCC(=O)Nc2ccc(OC)cc2)nc2c1CN(CC)CC2,0 +N#Cc1nc(-c2ccc(Cl)cc2)oc1NCCc1ccccn1,0 +CCN(CC)c1ccc(CNC23CN4CN(CN(C4)C2)C3)cc1,0 +Cc1csc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)n1,0 +COc1ccccc1-c1ccc(NC2CCCCC2)nn1,0 +CN(C(=O)c1ccccn1)c1nnc(-c2cnccn2)s1,0 +COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1C,0 +COc1ccc(CCn2nnnc2C(C(C)C)N2CCC(C(N)=O)CC2)cc1OC,0 +COCC(=O)N(C)c1nnc(-c2cnccn2)s1,0 +CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1cccc(C(C)=O)c1,0 +CCOc1ccc(C(CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1OC,0 +c1ccc2sc(SN3CCOCC3)nc2c1,0 +CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1,0 +c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1,0 +O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccccc1Cl,0 +Cn1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O,0 +CC(C)=CC(=O)Nc1nnc(-c2cccnc2)s1,0 +CCOC(=O)Cn1nnc(-c2cccc(OC)c2)n1,0 +Cn1nnnc1SCC(=O)N1CCN(c2cccc(Cl)c2)CC1,0 +O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12,0 +COc1ccc(CNC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1,0 +COC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2c(C)cccc2n1C,0 +Cc1cc(C)cc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c1,0 +CCOc1cccc(-n2nnnc2-c2ccc(OC)cc2)c1,0 +Cc1cc(C)n(-c2nc(SCC(=O)N3CCCC3)c3c4c(sc3n2)CCCC4)n1,0 +Cc1cc(N(CN2CCCC2=O)C(=O)c2ccc(F)cc2)no1,0 +COc1ccc(CNC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)cc1OC,0 +Cc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1C,0 +COc1c(Cl)cc(-c2noc(C)c2C(=O)NC(C)C)cc1Cl,0 +Cc1cc(NC(=O)COc2ccccc2)n(-c2ccccc2)n1,0 +Nc1nc2n(c1C(=O)c1ccccc1)CCC2,0 +CC(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1,0 +CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1cc(C)ccc1C,0 +Nc1nc(-c2ccccc2)nn1C(=O)Cc1ccccc1,0 +Cn1c(SCC(=O)OCC(=O)c2ccccc2)nnc1-c1cccs1,0 +CCOC(=O)c1cc(NC(=O)NCc2ccco2)c(C)nc1C,0 +O=C(CSc1nnc(Cc2ccccc2)o1)NCc1ccco1,0 +CC(C)CC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1,0 +O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCCCCC1,0 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+CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)c(C(=O)OCC)c1C,0 +O=C(NC1CCCC1)c1cccnc1N1CCCCCC1,0 +COc1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1,0 +CC(=O)N(C)c1nc(-c2ccc(Cl)cc2)cs1,0 +CC(C)CCNC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)o1,0 +Cc1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1,0 +O=C(c1ccccc1)n1c(=S)nc2ccccn21,0 +CCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CC(C)OC(C)C1,0 +Cc1nc2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc2n1C,0 +C=CCn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0 +O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1O,0 +O=C1c2cccc3cccc(c23)C(=O)N1c1nncs1,0 +O=C(Nc1cccc(Cl)c1)c1ccncc1,0 +CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1=NCCS1,0 +Cc1sc2ncnc(Oc3ccc(-n4ccnc4)cc3)c2c1C,0 +COCCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccc(OC)cc1,0 +Cc1cc(C(=O)CSc2nnc(C3COc4ccccc4O3)n2C)c(C)n1-c1ccc(F)cc1,0 +C=CCn1c(SC(C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccc(OC)cc1,0 +N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1,0 +Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,0 +O=C(CCn1c(=O)sc2ccccc21)NC1=NCCS1,0 +Cc1cc(NC(=O)CSc2nnc(C3CC3)n2C)no1,0 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+CC(=O)Cn1c(CN2CC(C)CC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,0 +Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21,0 +COc1ccccc1C1C(C(C)=O)=C(O)C(=O)N1CCc1ccccc1,0 +COc1ccc(OC)c(NC(=O)Cn2c(CCC(=O)O)ccc2-c2cccs2)c1,0 +O=C(COc1ccccc1)Nc1nnc(-c2ccc(Cl)s2)o1,0 +Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c(c2=O)SCC3)cc1,0 +C=CCN(CC=C)C(=O)CCCCC(=O)N(CC=C)CC=C,0 +Cc1ccc2cc(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1C,0 +CN1CCN(c2nc3nonc3nc2N2CCN(C)CC2)CC1,0 +CC(C)Cn1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21,0 +Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-c2cccs2)cc1,0 +O=C(CSc1nccc(=O)[nH]1)N1c2ccccc2CCc2ccccc21,0 +O=C1NCCCC1C(=O)N1CCN(C(=O)c2ccco2)CC1,0 +O=C(NCc1ccc2c(c1)OCO2)c1ccc2snnc2c1,0 +CNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O,0 +Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1,0 +COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)c(OC)c1,0 +Cc1ccc(NCc2nnc(SCC(=O)Nc3ncc(C)s3)n2Cc2ccco2)c(C)c1,0 +Cc1c(C(=O)N2CCCCC2)sc(NC(=O)C(C)C)c1C#N,0 +O=C(NCC1CCCO1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1,0 +CC(C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2,0 +COC(=O)c1ccccc1NC(=O)c1cc(-c2cccs2)on1,0 +COc1ccc(Cc2nnc(SCC(=O)Nc3nc(C)cs3)o2)cc1,0 +O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cnc[nH]1,0 +CSc1ccc(Cl)c(C(=O)OCC(=O)N2CC(C)OC(C)C2)c1,0 +O=C1C=C(NCc2ccco2)CC(c2ccc(Cl)cc2)C1,0 +Cc1cc(C)cc(OCC(=O)NC2=NCCS2)c1,0 +COc1ccc2c(c1)nc1n2CN(CC2CCCO2)CN1Cc1ccccc1,0 +COc1ccc(C(c2c(O)ccc3ccccc23)N2CCOCC2)c(OC)c1,0 +Cc1ccc(OCCCCn2ccnc2)c(Cl)c1,0 +Cn1c(CCNC(=O)c2ccco2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21,0 +CNC(=O)ON(C(=O)NC)C1N(C)C(=S)SC1(C)C,0 +CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)C1,0 +O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCc1ccccc1,0 +CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ncccc4C)ccc1c23,0 +Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)c1ccccc1,0 +COc1ccc(-c2nc(N3CCOCC3)nc3n[nH]c(N)c23)cc1,1 +O=C1c2ccccc2NC(c2cnc3ccccc3n2)N1O,0 +CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccn2)c1C,0 +Cc1ccc(-c2nc(C3CCN(S(C)(=O)=O)CC3)no2)cc1,0 +COCCNc1cc(C)nc2c3c(C)cc(C)nc3nn12,0 +O=S(=O)(NCc1ccc(Cl)cc1)c1cnc[nH]1,0 +CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)(=O)C2,0 +CCC(Sc1ncccc1C(=O)O)C(=O)N1CCOCC1,0 +O=C(Nc1cccc2ncccc12)c1cccnc1,0 +Cc1ccc(Cn2nnc3c(=O)n(Cc4ccccc4C)cnc32)cc1,0 +COC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(OC(=O)c2ccccc2)cc1,0 +Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1,0 +COCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1,0 +CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nc(=O)cc(C)[nH]2)s1,0 +Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(C)C3,0 +Cc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)c1,0 +Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1,0 +CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCc2ccccc2C1,0 +Nc1nc(CSc2ncn(-c3ccccc3)n2)cs1,0 +COc1ccc(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)c(OC)c1,0 +C1CCN=C(Nc2nn[nH]n2)CC1,0 +CCOC(=O)c1ccc(CSc2n[nH]c(C)n2)o1,0 +CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1,0 +CCOC(=O)c1ccc(N2C(=O)CC(Sc3nnc(C)s3)C2=O)cc1,0 +C=CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCN(C)C3,0 +Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NC2CC2)CC1,0 +COc1ccccc1-n1c(=O)c2c3c(sc2n2c(SC)nnc12)CCC3,0 +CCSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N,0 +Cc1ccc(CS(=O)(=O)CCC(=O)NCCN2CCCC2)cc1,0 +CC(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1,0 +O=C(Cc1ccc(-n2cccc2)cc1)N1CCN(c2ccccc2F)CC1,0 +COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)c1,0 +Cc1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1C,0 +Cc1ccc(-c2nnn(CCC(=O)NC3CCCC3)n2)cc1,0 +Nc1nc(-c2cccnc2)nn1C(=O)COc1ccccc1,0 +CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)C(C)C,0 +Cc1ccc(-c2ccc(=O)n(CC(=O)NCCCN3CCCCC3C)n2)cc1,0 +Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(C)c3)c2N)cc1,0 +Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccncc1,0 +Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)n1,0 +COc1ccc(CCNc2nc(C)nc3c2oc2ccccc23)cc1OC,0 +N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCCCN1CCOCC1,0 +COCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1OC,0 +NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)CC1,0 +CC(C)n1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C,0 +COC(=O)CSc1cc(C)nc(NC(C)=O)n1,0 +CC(C)C(c1nnnn1C1CCCC1)N1CCc2ccccc21,0 +O=C(COc1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,0 +CCCCN(C)CCNC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21,0 +Cc1noc(C(=O)NCc2ccco2)c1Cl,0 +O=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC1CCCCCC1,0 +Cc1cc(NC(=O)c2noc3c2CCCC3)nn1Cc1ccc(Cl)cc1,0 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+CCOC(=O)CNC(=O)CNC(=O)c1ccc(OC)cc1,0 +C/N=C(\NC)SC1CC(=O)N(c2ccccc2)C1=O,0 +CC1CN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)cc2)CC(C)O1,0 +COCCNc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)s1,0 +COc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1,0 +CCn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2ccccc21,0 +Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCCC1)O2,0 +Cc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1,0 +Cc1nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2s1,0 +Cn1cnnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1,0 +COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1OC,0 +O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1,0 +CCN1C(SC(C)C)=NN/C1=C1\C=Nc2ccccc21,0 +CCOC(=O)N1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1,0 +CCOCCCn1c(=S)[nH]c2cc(C(=O)NCCOC)ccc2c1=O,0 +O=C(CCSc1ccccc1)NCCN1CCOCC1,0 +CCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1,0 +Cc1nn(-c2ccccc2)c2sc(C(=O)n3cccn3)cc12,0 +CCCCn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O,0 +CCCCNC(=O)c1nnn(-c2ccccc2)c1N,0 +O=C(CCSc1ccccc1)Nc1ncccn1,0 +O=C(CCSc1nccn1Cc1ccccc1)N1CCOCC1,0 +Cc1nnc2n1NC(c1ccc(Cl)cc1)C(C(=O)N1CCC(C)CC1)S2,0 +O=S1(=O)N=C2CCCCCN2C(c2ccncc2)N1,0 +COc1ccc(CCN2CNc3c(c(=O)n(C)c(=O)n3C)C2)cc1,0 +O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2c(c1)OCO2,0 +COc1ccc(OCCSc2nnc3sc4ccccc4n23)cc1,0 +CCc1nnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1,0 +O=C(CSc1nnc(-c2ccc(Cl)s2)o1)N1CCc2ccccc21,0 +CCOCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0 +Cc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)no1,0 +CC(=O)c1c(C)n(-c2ccc(N(C)C)cc2)c2ccc(OCC(N)=O)cc12,0 +O=C(CCCOc1ccccc1)Nc1nnc(C2CCCO2)s1,0 +Cc1oc(C(=O)O)cc1CSc1nnc(-c2ccccc2)n1C,0 +C=C1Cn2c(nnc2-c2ccc(Cl)cc2)S1,0 +CS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1,0 +CC1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1,0 +Cc1csc(SCCn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1,0 +Cc1ccccc1C(=O)NCCNC1=NS(=O)(=O)c2ccccc21,0 +CC(C)CC(NC(=O)Nc1cccc(Cl)c1)C(=O)O,0 +COc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC(C)C2)cc1,0 +O=C(CSc1nc2ccccc2o1)N1CCN(c2ccc(Cl)cc2)CC1,0 +Cc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1,0 +CC(C(=O)Nc1ccc2c(c1)OCO2)N(c1ccc(Cl)cc1)S(C)(=O)=O,0 +CC1(C)CC(=O)C(=CNCc2cccnc2)C(=O)C1,0 +COCCCn1c(SCC(=O)N2CCCCC2C)nnc1-c1ccco1,0 +O=C(Nc1nc(-c2ccco2)cs1)c1ccccc1,0 +COc1ccc(NC(=O)NC2(C(=O)N3CCCCCC3)CCCCC2)cc1,0 +COCCCn1c(C(C)C)nc2oc3cc(OC)ccc3c(=O)c2c1=O,0 +CC(C)OCCCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1,0 +COc1ccc(-c2nn3cnnc3s2)cc1OC,0 +O=C(O)CCCCCNC(=O)CCn1nnc2ccccc2c1=O,0 +COc1ccc(NC(=O)Cn2nc3n(c2=S)CCC3)cc1,0 +COCCn1c(=O)[nH]c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1=O,0 +COc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccc3nsnc23)cc1OC,0 +Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1,0 +Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1=O,0 +O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0 +COCCNC(=O)c1cc(-c2cccs2)on1,0 +COc1ccc(-c2noc(COc3ccc(C)c(C)c3)n2)cc1OC,0 +O=C(COc1ccccc1)Nc1nnc(-c2ccccc2)o1,0 +CC(=O)NC(NC(C)=O)c1ccc(N(C)C)cc1,0 +COc1ccc(OC)c(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(C)(=O)=O)c1,0 +Cc1ccc(C(=O)NC(C)(COc2nonc2C)COc2nonc2C)cc1,0 +Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)CC(C)(C)C2,0 +COC(=O)CSc1ncnc2c1cnn2Cc1ccccc1,0 +Cc1nc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c2oc3ccccc3c2n1,0 +Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3,0 +Cc1cc(F)ccc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0 +Cc1cc(NC(=O)c2sccc2C)n(-c2cccc(Cl)c2)n1,0 +O=C(COc1ccccc1)Nc1nc2ccccc2[nH]1,0 +O=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC1CCCCC1,0 +Cc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1,0 +CCOC(=O)c1ccccc1OCc1cc(/C=N/n2cncn2)ccc1OC,0 +COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1,0 +COc1ccc(C(=O)Nc2nncs2)c(OC)c1,0 +COc1ccc(CCNC(=O)c2c(N)n(CCN3CCOCC3)c3nc4ccccc4nc23)cc1,0 +O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccccn1,0 +CCOC(=O)c1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)o1,0 +O=C(Nc1ccc2nsnc2c1)c1ccc2c(c1)OCO2,0 +CCCC(O)(CCN(C)C)c1ccc(OC)cc1,0 +Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)no1,0 +Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N1CCCC1,0 +Cc1cc(C)nc(SCC(=O)N2CCCCC2)n1,0 +CCCNC(=O)NC(=O)CN1C(=O)NC(C)(c2ccc(C)cc2)C1=O,0 +Cc1noc(C)c1COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1,0 +COc1cc(C2C(C(=O)OC(C)C)=C(C)Nc3[nH]c(=O)[nH]c(=O)c32)ccc1O,0 +Cc1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)no1,0 +Cc1cccc(NCc2nc(-c3ccccc3)no2)c1,0 +Cc1cccc(N2CCN(C(=O)c3ccncc3)CC2C)c1,0 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+O=C(Nc1cnc2sc3c(n2c1=O)CCCC3)c1ccc(F)cc1,0 +Cn1c(=O)c2c(nc(N3CCOCC3)n2CCSc2nc3ccccc3s2)n(C)c1=O,0 +COc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)cc1OC,0 +COC(=O)CSc1nnc(CNc2ccc(OC)cc2)n1C,0 +Cc1noc(C)c1C(=O)Nc1cccnc1,0 +Cc1ccc2nc(NC(=O)COC(=O)c3ccco3)sc2c1,0 +CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(C)ccc2OC)c1C,0 +CCOC(=O)N1CCC(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)CC1,0 +COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccn3)C2)cc1Cl,0 +Cn1cnc2c1c(=O)[nH]c(=O)n2C,0 +CCSc1nnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1,0 +COc1cccc(NC(=O)N2CCN(c3cccc(C)c3C)CC2)c1,0 +O=C(NCc1ccco1)c1cnccn1,0 +CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)sc(C)c1C,0 +Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)c1,0 +O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)N2CCCC2)cc1,0 +COCCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1,0 +O=C1NC(=O)C(CC(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1,0 +COc1cccc(-n2nc(C(=O)O)c3ccccc3c2=O)c1,0 +O=C(Cc1ccccc1)OCn1nnc2ccccc2c1=O,0 +CCN(CC)CCn1c2ccccc2c2nc(C)sc21,0 +O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1N1CCOCC1,0 +CC(=O)Nc1ccccc1C(=O)N1CC2(C)CC1CC(C)(C)C2,0 +CCC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(=O)CC)C(=O)CC,0 +O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCc2ccccc21,0 +Cn1c(=O)c2c(nc(NCCO)n2CCc2ccccc2)n(C)c1=O,0 +Cn1c(=O)c2c(nc(NCC3CCCO3)n2C)n(C)c1=O,0 +Cc1ccc(OCC(=O)NCc2ccco2)cc1C,0 +COc1ccc(OCc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1,0 +Cc1ccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)cc1C,0 +O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCC1,0 +COC(=O)C1=NC2=NC(C)=C(C(=O)OC3CCCCC3)C(c3ccc(OC)c(OC)c3)N2N1,0 +CSCCC(NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)O,0 +OC12CCCCC1C(c1ccccc1)NCC2,0 +CCOC(=O)Cn1cnc2c(nnn2-c2ccc(OC)cc2)c1=O,0 +N#Cc1nc(-c2cccs2)oc1NCCN1CCOCC1,0 +N#CC(c1nc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1,0 +Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1C,0 +Cc1cc(C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(N)=O)no1,0 +O=C(CCc1ccccc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1,0 +Cc1cc(N2CCN(C3CCCC3)CC2)n2c(nc3ccccc32)c1C#N,0 +CCCCn1c(SCc2c(C)noc2C)nc2cc(S(N)(=O)=O)ccc21,0 +CCc1nnc(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)s1,0 +CC(C)C(C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O,0 +Clc1ccc2nc(N3CCCCC3)sc2c1,0 +CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,0 +CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2C)cc1,0 +C=CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CCCCC1,0 +CC(=O)Nc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1,0 +C=C(C)CSc1nc(N)c2c3c(sc2n1)CCC3,0 +CN(C=C1C(=O)CC(C)(C)CC1=O)CCN1CCNCC1,0 +Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCCC4)nc2-3)cc1C,0 +CC(=O)N1CCc2cc(NC(=O)c3ccc(C)cc3)ccc21,0 +Cc1cccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c1,0 +Cc1nc(N)sc1-c1csc(N(C)c2ccc(O)cc2)n1,0 +COC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1,0 +CCCOC(=O)Nc1cc(OC)c(Cl)cc1OC,0 +CCN(CC)C1=CC(=O)/C(=C/Nn2nnnc2N)C=C1,0 +O=C(Oc1ccccc1)c1ccc(COC(=O)c2cnccn2)cc1,0 +CC(C)Nc1nc2n(c(=O)n1)CCN2C(C)C,0 +CN1C(=O)CSc2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc21,0 +COc1ccccc1-c1cc(C(=O)Nc2cc(C)on2)no1,0 +Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1,0 +Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2Cc2ccco2)n1,0 +Cn1c(=O)c2cc(NCc3ccccc3)nnc2n(C)c1=O,0 +CCOC(=O)C1CCN(Cc2nc3ccc(Cl)cc3n2CCO)CC1,0 +CC(C)(C)NC(=O)Nc1ccccc1C(N)=O,0 +CN(C(=O)CSc1nnnn1-c1ccccc1)C1CCCCC1,0 +COc1ccc(-c2onc3ccc(Cl)cc23)cc1OC,0 +CCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1F,0 +c1ccc2c(c1)nnn2-c1ncnc2sc3c(c12)CCCC3,0 +CCOC(=O)c1[nH]c2ccc(OC)cc2c1C,0 +Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccco1,0 +O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCc1ccco1,0 +O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)NC1CCCCC1,0 +CCOC(=O)NC(CC(=O)O)c1ccc(OC)cc1,0 +Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccs1,0 +CC1CCCCC1NC(=O)CC1Oc2ccccc2NC1=O,0 +Cc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccccn3)c(C)o2)cc1,0 +O=S1(=O)N=C(Oc2ccccc2)c2ccccc21,0 +CCN(CC)C(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C,0 +CCOc1ccccc1OCCn1nnc2ccccc21,0 +CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1,0 +CCC1CCCCN1c1nc(-c2ccncc2)nc2ccccc12,1 +CN(C)c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1,0 +CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1,0 +Nc1nnnn1/N=C/c1cccs1,0 +O=C(NC1=NCCS1)c1cccs1,0 +CCC(C)(C)n1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCCC1,0 +COc1cc2[nH]c(NC(=O)c3ccccc3)nc(=O)c2cc1OC,0 +Cc1ccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1,0 +CCOC(=O)c1c(-c2ccncc2)csc1N,0 +CC(C)c1nccn1S(=O)(=O)c1cc(Cl)ccc1Cl,0 +O=C(c1cc(-c2cccs2)on1)N1CCN(c2ccc(F)cc2)CC1,0 +Cc1cc(C)n(-c2nc(NC(C)C)nc(NC(C)C)n2)n1,0 +OCCNc1nc(C2CC2)nc2c1nnn2Cc1ccccc1Cl,0 +COc1ccc2ccccc2c1CN1CCCC(CO)C1,0 +O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc2c(c1)OCO2,0 +COCc1[nH]nc2c1C1(CCSCC1)C(C#N)=C(N)O2,0 +NC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1,0 +CC(C)(C)n1ncc2c(=O)n(CC(=O)NCCc3ccccc3)cnc21,0 +COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)c1ccco1,0 +CC(C)C(=O)Nc1cc(=O)nc2nc[nH]n12,0 +Cc1ccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)cc1C,0 +CCOC(=O)C1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1,0 +CCOc1ccccc1NC(=O)CCc1ccc(C)o1,0 +Cc1nnc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)s1,0 +c1ccc(-c2nnc(CSc3nnc(-c4ccncc4)n3Cc3ccco3)o2)cc1,0 +C=CCNc1nc(NCCN2CCOCC2)nc(OC)n1,0 +CCn1c(SCCC(=O)Nc2ccccc2)nnc1-c1ccc(OC)cc1,0 +CCCCNC(=O)c1cnc2n(c1=O)CCS2,0 +Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCC4)cnc32)cc1,0 +COc1ccc(OC)c(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)c1,0 +COc1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccccc2)cn1,0 +Cc1ccccc1Cn1nc(C)c(NC(=O)c2noc3c2CC(C(C)(C)C)CC3)c1C,0 +CCc1ccccc1N(CC)C(=O)CCc1nc(-c2ccc(C)cc2)no1,0 +CCOC(=O)c1[nH]c(C)c(C(=O)NCCc2ccc(OC)cc2)c1C,0 +Nc1nc(-c2cccnc2)nc(N2CCCCC2)n1,0 +COc1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)c2cnccn2)cc1,0 +COc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1,0 +CNC(=O)c1c[nH]n2c(=O)c(Cc3ccccc3F)c(C)nc12,0 +Cc1cc(N/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)no1,0 +CCCCNc1nc(N(C)c2ccccc2)nc(-n2ccnc2)n1,0 +Cc1ccc(SCC(=O)NCCCN2CCOCC2)cc1,0 +COCc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1,0 +O=C(CSc1nnc(CNC(=O)c2ccco2)o1)NC1CCCC1,0 +Cn1cc(/C=N/n2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)c2ccccc21,0 +CC1(C)Cc2c(c(-c3ccccc3Cl)[nH]c(=O)c2C#N)CO1,0 +CN(CC(=O)N1CC=C(c2ccccc2)CC1)S(=O)(=O)c1cnc[nH]1,0 +CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccccc3)cs2)CC1,0 +CCCN(CCC)c1nc(NC2CCN(C(=O)OCC)CC2)nc(OC)n1,0 +Nn1c(COc2ccccc2)nnc1SCC(=O)O,0 +Cc1nnc(SCc2ccon2)n1-c1ccccc1,0 +Cc1ccc(C)c(OCC(=O)Nc2cc(C)on2)c1,0 +CN1c2ccccc2-c2nc3ccccc3n2C1c1ccccn1,0 +CCOC(=O)C(N)CSC1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O,0 +O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccco1,0 +COc1cccc2cc(C(C)N(CCCN3CCOCC3)C(=O)Nc3ccccc3)oc12,0 +CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccsc1,0 +N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccsc1,0 +Cc1sc2nc(SCc3nc4ccccc4[nH]3)n(Cc3ccco3)c(=O)c2c1C,0 +Cc1nn(CCCC(=O)N2CCc3ccccc3C2)c(=O)c2cc3sccc3n12,0 +CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(CC)CCS3)CC1,0 +CC1CCN(C(=O)CSc2nnc(-c3ccco3)o2)CC1,0 +c1ccc(Cn2nnc3c(NCCN4CCOCC4)ncnc32)cc1,0 +Cc1nnc(SCCCN2C(=O)c3ccccc3C2=O)o1,0 +CCNC(=O)CCCOc1ccc(Cl)cc1Cl,0 +O=C(C(Cc1ccccc1)n1cccc1)N1CCN(c2ncccn2)CC1,0 +COc1ccccc1-c1cc(N)n(S(=O)(=O)c2ccc(F)c(C)c2)n1,0 +O=C(Nc1ccc(-c2nnco2)cc1)c1ccccc1,0 +Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(C)on3)nc2n1,0 +Cc1csc(NC(=O)c2cnc3ccccn3c2=O)n1,0 +COc1cccc(OC)c1C(=O)N1CCN=C1SCc1cccnc1,0 +Cc1ccccc1-c1nc(CN2CCCC(C(=O)NCc3cccnc3)C2)c(C)o1,0 +Cn1c(Nn2cnnc2)nc2ccccc21,0 +CCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1,0 +COc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1,0 +CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(=O)OC)cc1,0 +Cc1c(C#N)c2ccccc2n1CC(=O)N1CCCC1,0 +O=C(NCc1cn2ccsc2n1)c1cccc(C(F)(F)F)c1,0 +CCOC(=O)N1CCN(C(=O)Nc2ccc3nc(C)c(C)nc3c2)CC1,0 +Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCc4ccco4)nn3c2C)cc1,0 +Cc1ncoc1C(=O)NCc1ccccc1Cl,0 +CC(C)C1N=C2c3ccccc3N=C(SCc3cc(=O)n4cc(Cl)ccc4n3)N2C1=O,0 +COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,0 +COc1ccc(-n2nnc3c(SCC(=O)Nc4ccc5c(c4)OCCO5)ncnc32)cc1,0 +C=CCN1CC(c2nc3ccccc3n2CCOc2ccccc2)CC1=O,0 +O=C(O)c1ccccc1C(=O)Nc1n[nH]c(=S)s1,0 +COc1ccc(CCN(Cc2nc(=O)c3ccccc3[nH]2)C(=O)c2ccco2)cc1,0 +COCC(=O)N(C)c1nnc(-c2cnc(C)cn2)s1,0 +Cc1cc(N)n2ncc(-c3ccccc3)c2n1,0 +O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nnc(-c2ccccc2)s1,0 +C/C(Cl)=C\Cn1c(Nc2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C,0 +CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCCC1,0 +Cc1ccc2cc3cc(C(=O)NCCN4CCOCC4)oc3nc2c1,0 +Cc1cc(NCCCN2CCOCC2)n2ncc(-c3ccc(Cl)cc3)c2n1,0 +Cn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2ccccc21,0 +COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)c1,0 +Cc1nnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)s1,0 +c1ccc(OCc2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)cc1,0 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+CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCN(C)CC3)c12,0 +COCCn1nnnc1CN(CCCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,0 +c1csc(-c2cnc3ccccc3n2)c1,0 +CN(Cc1ccccc1)Cc1nc2c([nH]1)c(=O)[nH]c(=O)n2C,0 +CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCOCC1,0 +CCCc1cc(=O)n2[nH]c(Cc3ccccc3)nc2n1,0 +Cc1nc(S(=O)(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl,0 +Cc1nc(S(=O)(=O)NC2CCCCC2)c(C#N)c(C)c1Cl,0 +CCOc1cccc(C(=O)Nc2nnc(-c3ccco3)s2)c1,0 +COc1ccc(-c2nnc(SCCOc3cccc(C)c3)n2N)cc1,0 +O=C(CC1SC(=O)N(c2ccccc2)C1=O)Nc1ccccc1,0 +c1ccc(SCc2nc(-c3ccncc3)no2)cc1,0 +O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccccn2)cs1,0 +COC(=O)c1ccn(C(=O)c2ccc(Cl)cc2)n1,0 +Nc1nonc1-c1nc2ccccc2n1CCC(=O)O,0 +Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1,0 +COc1cccc(CNC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1,0 +O=C(NC1CC1)c1ccc2c(c1)ncn2C1CCCC1,0 +O=C(c1nc2ncccn2n1)N1CCN(c2ccc(F)cc2)CC1,0 +O=C(NCc1ccco1)c1nc2ncccn2n1,0 +Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccncc1,0 +Cn1c(=O)c2c(nc(N3CCC(C(N)=O)CC3)n2CCSc2nc3ccccc3s2)n(C)c1=O,0 +COc1ccc(-c2nnc(SCC(=O)c3ccc(C)o3)o2)cc1,0 +Cc1nnc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)s1,0 +O=C(NCC1CCCO1)C1CCCCN1S(=O)(=O)c1ccc(F)cc1,0 +Cc1cccc(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)n1,0 +N#Cc1c(NC(=O)CSc2nnnn2C2CCCCC2)sc2c1CCCC2,0 +O=C(Oc1ccc2ccccc2c1Cl)N1CCCC1,0 +CCOc1ccc(CNc2ccc(N3CCCC3)cc2)cc1,0 +Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1Cl,0 +CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O,0 +O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccc(Cl)cc1,0 +O=c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c2c1CCC2,0 +Cc1nc(SCCCSc2n[nH]c(C)n2)n[nH]1,0 +Cc1nc(NCC2CCCO2)c2nnn(Cc3ccccc3Cl)c2n1,0 +Cc1ccc(S(=O)(=O)Nc2nsc(N)n2)cc1,0 +COc1ccc(-c2nnnn2C)cc1S(=O)(=O)NCCc1ccccc1,0 +CCCNC(=O)CSc1nnc(-c2ccco2)n1C,0 +Cc1ccc(SCc2[nH]nc3c2C(c2ccco2)C(C#N)=C(N)O3)cc1,0 +Cn1cnnc1SCC(=O)N1CCC(Cc2ccccc2)CC1,0 +C1=C(c2ccccc2)CCN(c2nc3ccccc3n3cnnc23)C1,0 +CCOc1ccccc1Nc1cc(C)nc2nc(C)nn12,0 +O=C(CCN1CCOCC1)Nc1ccc2c(c1)CCC2,0 +Cc1cc(Nc2c(C)cccc2C)n2nc(C)nc2n1,0 +Cc1ccc(CNC(=O)CS(=O)Cc2nc(-c3ccccc3C)oc2C)cc1,0 +Cc1ccc(Cn2c(SCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1,0 +CCOC(=O)N1CCC(NC(=O)CN2C(=O)CSc3nc(C)cc(C)c32)CC1,0 +Cn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC1,0 +CCn1ncc(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1C,0 +CCn1c(SCC(=O)Nc2cc(C)on2)nc2c1c(=O)n(C)c(=O)n2C,0 +Fc1ccc(-c2noc(C3CCN(Cc4cccnc4)CC3)n2)cc1,0 +CCCCNC(=O)Cn1c(-c2ccc(OC)cc2)noc1=O,0 +Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1,0 +C=CCN1C(SCC(=O)NCc2ccccc2)=NN/C1=C1/C=CC=CC1=O,0 +CC(=O)CSc1nnc(CSc2ncccn2)n1C1CCCCC1,0 +COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)cc1,0 +COc1ccc(OC)c(NC(=O)C2CCN(c3ncccn3)CC2)c1,0 +CC1(C)Oc2ccc(C(=O)N3CCc4ccccc43)cc2N(CC(=O)N2CCCC2)C1=O,0 +Cc1ccc(S(=O)(=O)NCCc2ccncc2)cc1,0 +O=C(Nc1nccs1)c1ccc(S(=O)(=O)NCc2cccs2)cc1,0 +Cc1ccc(C(O)c2cccnc2)o1,0 +O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)NC1CCCCC1,0 +Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2ccccc2)n1,0 +Cc1ccc(Nc2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1,0 +CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccs2)CC1,0 +CCn1cc(C(=O)NCC(=O)OC)c2cc(OC)c(OC)cc2c1=O,0 +CC1CN(C(=O)CCn2c(=O)oc3ccccc32)CC(C)O1,0 +O=C(NCc1ccc(Cl)cc1)c1noc2c1CCCC2,0 +COc1cc(OC)nc(Nc2nc(C)c(C(C)=O)s2)n1,0 +O=C(C1CCN(CC2CCCCC2)CC1)N1CCCC1,0 +O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc2c(c1)OCCO2,0 +CSc1nc2nc(C)cc(-c3ccccc3)n2n1,0 +NC(=O)CSc1nnc(COc2ccccc2)n1C1CCCCC1,0 +c1cncc(CNc2c3c(nc4nnnn24)CCCC3)c1,0 +CCCn1nnnc1SCC(=O)Nc1ccc(F)cc1,0 +Cn1nnc2cc(C(=O)NC(C)(C)C)ccc21,0 +O=C(Nc1ccon1)c1cccc(S(=O)(=O)N2CCCC2)c1,0 +CC1CCCCC1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1,0 +O=C(NCc1ccc2c(c1)OCO2)c1ccc(-n2cnnn2)cc1,0 +Cc1ccc(-c2nnc(N(C)C(=O)c3ccncc3)s2)cn1,0 +CCc1c(C)nc2ncnn2c1N1CCCC(C(=O)NCc2ccco2)C1,0 +CCn1c(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc2ccccc21,0 +Cc1noc(C)c1CSc1nc2ccccc2[nH]1,0 +Cc1[nH]c2ccccc2c1CCC(N)=O,0 +COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)ccc1O,0 +Cc1cc(Cl)ccc1OCC(=O)NCCCN1CCOCC1,0 +O=c1cc(CSc2nc3cc(Cl)ccc3o2)nc2sccn12,0 +Cc1cc(C)nc(N2CCN(c3nnnn3-c3ccccc3)CC2)n1,0 +Cc1n[nH]c(SCC(=O)NC(C)c2ccccc2)nc1=O,0 +S=C(Nc1ccccn1)c1ccccn1,0 +COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2,0 +OCCOCCOCCn1c2ccccc2c2ccccc21,0 +COc1ccccc1-c1ccc(Nc2cccc(C(C)=O)c2)nn1,0 +NC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1,0 +Cc1nc(Nc2ncc3c(n2)CC(C)(C)CC3=O)nc2ccccc12,0 +Cc1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC2CCCO2)c(C)n1C,0 +N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1,0 +COc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1,0 +CCOc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC)CC1,0 +CC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12,0 +Cc1nnc(NC(=O)Nc2cccc(Cl)c2)s1,0 +Cn1c(-c2ccccc2)cnc1SCc1nc(=O)c2ccccc2[nH]1,0 +CCOC(=O)c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1O,0 +N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCN(Cc2ccccc2)CC1,0 +Cc1ccc2nc(N3CCOCC3)c3nncn3c2c1,0 +O=C(O)CSc1nnc(-c2ccccc2)o1,0 +O=C(Cc1ccccc1)NCCCN1CCN(CCCNC(=O)Cc2ccccc2)CC1,0 +CCOc1ccc(C(=O)NCCCn2ccnc2)cc1,0 +CC(NC(=O)c1ccccc1)C(=O)NC1=NCCS1,0 +COC(=O)c1cc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc(C(=O)OC)c1,0 +Cc1ocnc1C(=O)Nc1ccc(Cl)cc1,0 +Cc1nc2c(C(=O)NCCC3=CCCCC3)c[nH]n2c(=O)c1Cl,0 +Cc1ccc(S(=O)(=O)CCSc2nc(C)cc(C)c2C#N)cc1,0 +Cc1ccc(/N=C(/c2cccs2)N2CCOCC2)cc1,0 +CC(C)OC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2,0 +COc1ccccc1-n1c(-c2cccnc2)n[nH]c1=S,0 +O=C(Cn1c(=O)sc2ccccc21)NCc1ccccn1,0 +CCOC(=O)CNC(=O)CSc1nnc(-c2cccc(OC)c2)n1CC,0 +CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccnc1,0 +Cc1ccc2c(c1)N(CCCC(=O)NCc1cccnc1)C(=O)CO2,0 +CC1(C)CC(=O)C=C(Nc2ccc(S(N)(=O)=O)cc2)C1,0 +CCN1C(=O)CS/C1=N\c1nccs1,0 +Cc1cc(C)n2nc(CC(=O)NC3CCCCCC3)nc2n1,0 +O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1,0 +Cc1cc(C)n2nc(SCn3nnc4ccccc4c3=O)nc2n1,0 +CCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OCC)cc2)c2ccccc21,0 +COCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21,0 +COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1,0 +C=CCN1C(=O)CSc2ccc(C(=O)NCc3ccco3)cc21,0 +CCOC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1,0 +C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1,0 +COC(=O)C(NC(=O)c1ccccc1)(Nc1nc(C)cs1)C(F)(F)F,0 +O=C1OC(Nc2nccs2)c2ccccc21,0 +CCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3cccc(C)c3nc21,0 +CCc1nc(NC2CCCCC2)c(C#N)c2c1COC(C)(C)C2,0 +Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCCN1CCOCC1,0 +COc1ccc(C2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1,0 +O=C(Nc1cccc(N2CCOCC2)c1)c1cccs1,0 +Cc1cc(NC(=O)c2ccc3nc(C)sc3c2)no1,0 +CCCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C,0 +CC(C)Cn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C,0 +CC(=O)Nc1ccc2nc(SCC(=O)O)sc2c1,0 +CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1N,0 +Cc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)o1,0 +CCOc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1Cl,0 +CCC(Sc1nc(=O)cc(N)[nH]1)C(=O)NC(C(=O)OC)c1ccccc1,0 +Cn1c(SCCOc2ccccc2Cl)nnc1-c1ccncc1,0 +CC(C)CCOCC1CC2(CC(C)(c3csc(N)n3)OC2=O)C(=O)O1,0 +CCc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1,0 +CCNc1nc(OC)nc(SCC(N)=O)n1,0 +COc1cc(C(=O)Nc2nccs2)cc(OC)c1OC,0 +Cc1ccc(C(=O)n2cnnc2N)cc1C,0 +O=c1c2cc3c(cc2[nH]c(=S)n1CCN1CCOCC1)OCO3,0 +CC1(C)Cc2ccccc2-c2nnc(-c3cccnc3)n21,0 +Cc1cc(C)cc(OCC(=O)NCCN2CCOCC2)c1,0 +Cc1ccc2[nH]c3c(N4CCCCCC4)ncnc3c2c1,0 +COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)C1c1ccco1,0 +O=C(NC1CCCCC1)Nn1c(-c2ccccc2)nc2ccccc2c1=O,0 +C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1,0 +Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cn2)c1,0 +Nc1ccc(-c2nc3ccc(N)cc3o2)cc1,0 +O=C(NCc1ccc2c(c1)OCO2)c1cccc(Cl)c1,0 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+COc1ccccc1CCC(=O)Nc1nc2ccccc2[nH]1,0 +O=C1N=C(Nc2ccccn2)SC1Cc1ccccc1,0 +CCN(C(=O)CN1CCN(c2ccc(OC)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0 +COc1nc(Nc2nc(=O)c3ccccc3[nH]2)nc2ccc(C)cc12,0 +Cc1ccc(NC(=O)c2ccccc2O)cc1,0 +CN(CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)Cc1ccccc1,0 +O=C(CS(=O)(=O)Cc1ccccc1)Nc1cccnc1,0 +O=C(CSCc1c(F)cccc1Cl)NCc1ccco1,0 +COc1cc2c(cc1OC)C(c1cccnc1)CC(=O)N2,0 +CC(NCc1cccnc1)=C1C(=O)c2ccccc2C1=O,0 +CC(=O)c1cccc(NC2c3ncccc3C(=O)N2Cc2ccco2)c1,0 +CS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,0 +O=CN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1,0 +COc1cccc(-c2nnc(SCc3cccnc3)o2)c1,0 +CCC(c1nnc(SCc2nc3ccccc3s2)n1Cc1ccccc1)N(C)C,0 +O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)N2CCCCC2)o1,0 +Cc1c(C(=O)NCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12,0 +O=C(NCCN1CCOCC1)c1cc2sccc2n1Cc1ccc(F)cc1,0 +CCOCCCNC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1,0 +Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc3c(c2)OCO3)n1,0 +O=C(Nc1nnc(-c2ccco2)s1)C1CCCCC1,0 +COc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1,0 +c1ccc(Cn2nnc3c(NCC4CCCO4)ncnc32)cc1,0 +Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C,0 +CCOC(=O)c1cnc2ccc(Cl)cc2c1N1CCN(C)CC1,0 +Cn1ccnc1SCc1cn2ccccc2n1,0 +CN1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)CC1,0 +CCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc21,0 +Cn1nnnc1SCC(=O)NC(=O)Cc1ccccc1,0 +C=CCNc1nc(C)nc(OC)n1,0 +Cn1c(=O)[nH]c(=O)c2[nH]c(N(Cc3ccccc3)Cc3ccccc3)nc21,0 +Cc1nc(N2CCN(Cc3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2,0 +O=C1CCC(=O)N1c1ccc(CSc2nc3ccccc3[nH]2)cc1,0 +O=C(NCCCN1CCN(Cc2ccccc2Cl)CC1)Nc1ccccc1,0 +c1ccc2c(c1)OCC(c1csc3ncnc(N4CCOCC4)c13)O2,0 +Cc1ccc(-c2sc(C)nc2CC(=O)O)cc1,0 +Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCO3)cc1,0 +Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl,0 +c1ccn2c(SCc3ccc4c(c3)OCO4)nnc2c1,0 +Cn1c(=O)c2c(nc(OCc3cccnc3)n2Cc2ccccc2)n(C)c1=O,0 +O=C(O)CCc1nn2c3ccccc3nc2n(CCN2CCCCC2)c1=O,0 +CCc1cccc2c(C#N)cn(CC(=O)NCCOC)c12,0 +O=C(Nc1c(C(=O)O)[nH]c2ccccc12)NC1CCCCC1,0 +Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)o1,0 +Cc1nn(-c2nc(=O)c(C)n[nH]2)c(C)c1SCC(=O)Nc1ccc(C(C)C)cc1,0 +O=C(CCn1c(=O)oc2ccccc21)NCCN1CCOCC1,0 +COC(=O)Cc1cc(=O)nc(N/C(=N/C(=O)c2ccccc2)Nc2ccccc2C)[nH]1,0 +CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C,0 +OC1CN=C2CCCc3c2n(c2ccc(Cl)cc32)C1,0 +CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1,0 +CCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(N(C)C)n1,0 +CCOC(=O)CSC1=C(C#N)C(c2ccccc2OCC)C(C(=O)OCC)C(=O)N1,0 +CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1nc(C)cc1C,0 +COc1ccc(-n2nnnc2SCC(=O)c2ccc(OC)c(OC)c2)cc1,0 +CCn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1,0 +CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)c(C#N)c1C,0 +CC1=CC(=O)/C(=C2\C=C(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)NN2)C=C1C,0 +Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)cc2)n1,0 +Cc1cc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)no1,0 +Cc1cc(NC(=O)CSc2ncn(-c3ccccc3)n2)no1,0 +O=C(CCc1ccccc1)Nc1ncc2c(n1)CCCC2=O,0 +CCCCN(C)C(=O)c1coc(=O)c2ccccc12,0 +O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)c1ccc(Cl)cc1,0 +CCN(CC)c1ccc(NC(=O)c2cnc3ccccn3c2=O)c(C)c1,0 +Nc1nnc(CCN2CCCCC2)s1,0 +Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccccc1,0 +O=c1cc(CSc2nnc(COc3ccc(Cl)cc3)o2)c2ccccc2[nH]1,0 +Cc1cc(C(=O)NC(C)c2ccncc2)no1,0 +CC1CCC(NC(=O)CN2C(=O)C3CCCN3c3ncc(Cl)cc32)CC1,0 +Cc1cc(C)c2ccc(N)nc2c1O,0 +CC(=O)c1cnc(N2CCCCC2)nc1C,0 +CCOC(=O)CSc1nnc(C(Cc2ccccc2)NC(=O)OC(C)(C)C)o1,0 +Cc1noc(C)c1S(=O)(=O)N1CCC(Cc2ccccc2)CC1,0 +CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1,0 +CCN1CCN(CNC(=O)c2cnccn2)CC1,0 +Cc1cc(=O)oc2cc(OCC(=O)N3CCCC(C)C3)ccc12,0 +Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccn1,0 +c1cncc(-c2nc(Oc3ccc(-c4nnco4)cc3)c3c4c(sc3n2)CCCC4)c1,0 +O=C(NC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1,0 +O=C(NC1=NCCS1)c1ccc(OCC2CCCO2)cc1,0 +COc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)[nH]c2c1,0 +COc1ccc(-c2nc3nc(C)c(Cc4ccccc4)c(=O)n3[nH]2)cc1,0 +CC/N=C1/SC(CC(=O)NC2CCCCC2)C(=O)N1CC,0 +CCOC(=O)c1cc(C(C)=O)c(=O)n(C)c1N,0 +CCC1CCCCN1CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1,0 +CSCCC(N/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)C(=O)O,0 +CC1(C)c2ccccc2N2CC(=O)NC21/C=C/c1ccco1,0 +CCOc1ccccc1OC1=CNN/C1=C1\C=CC(OC)=CC1=O,0 +COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1,0 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+CN1CCN(S(=O)(=O)c2ccc(Cc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)CC1,0 +O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)NCc1ccco1,0 +COCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0 +COc1ccccc1-c1nnc(SCc2ccccn2)n1C,0 +CCn1c(C(O)c2cccc(OC)c2OC)nc2ccccc21,0 +CN(C(=O)COc1ccccc1)c1nnc(-c2cccnc2)s1,0 +Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2cccc3ccccc23)n(C)c1=O,0 +CN(CC(=O)NCCN1CCCCCC1)S(=O)(=O)c1cccc2nsnc12,0 +CN1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1,0 +O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2,0 +COc1ccc2c(CC(=O)Nc3ccc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)coc2c1,0 +COC(=O)c1ccccc1NC(=O)Nc1cnccn1,0 +Cn1nc(C(=O)NCc2cccnc2)c2ccccc2c1=O,0 +Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccncc2)cc1,0 +CCC(C)(C)n1nnnc1C(CC(C)C)N1CCC(C(N)=O)CC1,0 +CCCn1c(SCC(=O)Nc2nnc(CC)s2)nnc1-c1ccco1,0 +CN(C)c1nc(SCCOC(=O)c2ccccc2)nc(N(C)C)n1,0 +Cn1nnc(NC(=O)c2cccc(F)c2)n1,0 +O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cnccn1,0 +Cc1nnc(SCC(=O)NCc2ccccc2)s1,0 +COc1ccc(CC(=O)OCn2nnc3ccccc3c2=O)cc1,0 +COc1ccc(CC(C(=O)Nc2cccc(F)c2)c2nn[nH]n2)c(OC)c1,0 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+Cc1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1,0 +COc1cccc(-c2nnn(CC(=O)O)n2)c1,0 +O=C1Nc2ccccc2C12OCCCO2,0 +Cc1cc(C2C(=O)CC(=O)CC2c2ccccc2)on1,0 +CSCCC(NC(=O)c1ccc(C)o1)C(=O)O,0 +O=C(COn1nnc2ccc(Cl)cc21)NCc1ccccc1,0 +Cn1c(SCC(=O)N2CCN(Cc3ccccc3)CC2)nnc1-c1ccncc1,0 +CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,0 +Cc1cc(C)nc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1,0 +Cc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4cccc(Cl)c4)cnc32)cc1C,0 +COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1OC,0 +COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccnc1,0 +O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NC1CCCC1,0 +Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1,0 +Cc1cc(C)c2c(n1)nn1c(NCCCN3CCOCC3)cc(C)nc21,0 +COc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c21,0 +CC(C)OCCCNC(=O)CCc1nc(-c2ccccc2)no1,0 +c1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1,0 +O=C(Nc1c(C(=O)N2CCCC2)cnn1-c1ccccc1)c1cccc(F)c1,0 +c1ccc(CCc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,0 +Cc1cc(N2CCN(c3ccccc3)CC2)n2c(n1)nc1ccccc12,0 +Cn1c(=O)c2c(nc(CN3CCCCC3)n2CCCc2ccccc2)n(C)c1=O,0 +Cc1noc(C)c1CSc1nc(=O)c(C)n[nH]1,0 +Cc1ccc2cc(C#N)c(NCCNC(=O)C3CC3)nc2c1C,0 +CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1,0 +Cc1ccc(OCc2nnc(SCc3cc(=O)[nH]c4ccccc34)o2)cc1,0 +Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(O)COc2ccccc2)n(C)c1=O,0 +COc1ccc(-n2c(C)cc(C(=O)Cn3c(NCCO)nc4ccccc43)c2C)cc1,0 +CCCCn1cnc2cc(NCc3ccncc3)ccc21,0 +Cc1sc(NC(=O)c2ccco2)c(CN2CCCCC2)c1C,0 +O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc2c(c1)OCO2,0 +Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1,0 +CCCCC(c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1,0 +Cc1cc(C)nc(N2CCCC(C(=O)NCCc3ccc(F)cc3)C2)n1,0 +CCOCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1,0 +O=C1CC(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CN1,0 +CC(C)(C)NC(=O)Cn1nnc(-c2cccs2)n1,0 +O=C(c1ccccc1CCc1ccccc1)N1CCN(c2ccccn2)CC1,0 +O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCOCC1,0 +CS(=O)(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1,0 +CN1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)CC1,0 +Cc1ccc(N(C)C(=O)N2CCN(c3ccccn3)CC2)cc1,0 +Cc1ccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)c(C)c1,0 +COc1nc(NCc2ccco2)nc(N2CCC(C)CC2)n1,0 +CCOc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1,0 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+O=C(NC1CCCCCC1)c1nnc(Cc2ccc(Cl)cc2)o1,0 +COc1cc(NC(=O)CCc2ccccc2)c(C(=O)O)cc1OC,0 +Cc1ccccc1Cn1ccc(NC(=O)c2onc(C)c2Cl)n1,0 +C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nc(C)cs1,0 +O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)OC1CCCCC1,0 +Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3N3CCCCC3)n2C)n(C)c1=O,0 +Cc1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccncc2)c1,0 +CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21,0 +COc1cc(C(=O)Nc2cc(C)ccn2)cc(OC)c1OC,0 +Cc1cc(C)n(-c2nnc3n2N=C(c2ccccc2)CS3)n1,0 +COc1ccc(N(C)C(=O)CCS(=O)(=O)c2cccc3nonc23)cc1,0 +Cc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(Cc2ccccc2Cl)c1C,0 +O=C(Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1)N1CCOCC1,0 +Cc1cc(N2CCOCC2)nc(NCc2ccccc2)n1,0 +COC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(OC)cc1,0 +c1coc(-c2nnc(-c3cccs3)o2)c1,0 +COc1cccc(CNn2cnnc2)c1OCc1ccc(F)cc1,0 +CC(C)C(c1nnnn1Cc1ccccc1)N1CCSCC1,0 +COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O,0 +O=C(CSc1nc2ccccc2o1)Nc1ccccc1,0 +COc1ccc(C(=O)CSc2nnc(Cn3cnc4ccccc43)o2)cc1,0 +Cn1c(=O)c2nnn(/N=C(\c3ccccc3)C3CC3)c2n(C)c1=O,0 +C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCCC1,0 +CCNC(=O)Nn1c(C)nnc1C,0 +Cc1nnc(SCCn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)s1,0 +COc1ccc(S(=O)(=O)N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)cc1,0 +COCCCn1c(-c2ccsc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,0 +CC1CN=C(N(C(=O)Nc2ccccc2)c2ccc(S(=O)(=O)N3CCOCC3)cc2)S1,0 +O=C(Cc1cn2ccsc2n1)Nc1ccccn1,0 +Nc1nonc1C(=O)NC(c1ccccc1)c1ccccc1,0 +CCOCC(=O)NCc1ccc2c(c1)cc(C)n2C,0 +Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)N3CCCCC3)cc12,0 +COC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,0 +O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1CCCn1ccnc1,0 +Cc1cc(C)c2nc(N3CCN(C)CC3)c(C#N)cc2c1,0 +COc1ccccc1CNC(=O)Cn1nnc(-c2ccncc2)n1,1 +Cc1cc(NCCCn2ccnc2)n2nc(-c3ccc(F)cc3)cc2n1,0 +CCOC(=O)C(C)(C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1,0 +CN1CCN(S(=O)(=O)c2ccc(SCCOc3ccccc3)nc2)CC1,0 +Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccs3)cc2N)cc1,0 +O=C(CSc1n[nH]c(=O)[nH]c1=O)c1ccccc1,0 +CC1=C(c2ccccc2)[N+](=O)C2(CCCC2)N1[O-],0 +O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccccn2)CC1,0 +Cc1c(NC(=O)C(C#N)=C2CCCCC2)c(=O)n(-c2ccccc2)n1C,0 +Cc1cc(C)n2cc(CSc3nnnn3C)nc2n1,0 +Cc1ccc(-n2nnnc2SCC(N)=O)c(C)c1,0 +CC(=O)N1C(=O)N(C)C2C1N(C(C)=O)C(=O)N2C,0 +COCCn1c(SCC#N)nnc1-c1ccccc1,0 +COCCNC(=O)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1,0 +O=C(CC1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1,0 +O=C(O)c1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1,0 +CCOc1ccc(Cl)cc1S(=O)(=O)N1CCCC1,0 +O=C(NCc1ccco1)c1cc(-c2ccccn2)nc2ccccc12,0 +CCn1nc(C(=O)NC2=NCCS2)c2ccccc2c1=O,0 +CCN(CC)C(=O)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1,0 +Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccnc1,0 +COc1cccc(-n2nnnc2SCC(=O)c2ccc(NC(C)=O)cc2)c1,0 +N#CCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1,0 +COc1ccc(C(=O)CSc2nc3nc(C)cc(C)n3n2)cc1OC,0 +CC12CCC(C(=O)N3CCc4ccccc43)(CC1=O)C2(C)C,0 +COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,0 +O=C(Nc1nccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1,0 +COc1ccc(Nc2nc3ccccc3c(=O)s2)c(OC)c1,0 +COCCOC(=O)c1c(C)nc(SCC(=O)Nc2ccc(OC)cc2)c(C#N)c1-c1ccco1,0 +CC(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)ns2)CC1,0 +COc1cc(NS(=O)(=O)c2ccccc2)ccc1-n1nc(C)cc1C,0 +CC(=O)Nc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1,0 +O=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1cccnc1,0 +c1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1,0 +OCCNc1nc(-c2ccccc2)c2ccccc2n1,0 +CCCCCCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0 +CN(CCc1ccccn1)c1ncnc2[nH]ncc12,0 +COc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1,0 +COc1ccc(CCNc2ncnc3[nH]ncc23)cc1OC,0 +COc1ccc(S(=O)(=O)N2CCCN(Cc3cccc(F)c3)CC2)cc1,0 +Clc1nnc2ccc(-c3ccccc3)nn12,0 +Cc1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2,0 +CCN(CC)c1ccc(NC(=O)CN2CCN(c3nc(C)cc(C)n3)CC2)cc1,0 +Nc1nnc(SCCOc2ccccc2)s1,0 +O=C(NCc1cccs1)c1noc2c1CCCC2,0 +Cc1cc(N2CCOCC2)nc(SCC(=O)c2ccccc2)n1,0 +C=CCOC(=O)C1=C(C)Nc2sc(C#N)c(N)c2C1c1ccco1,0 +Cc1ccc(C)c(-n2c(CNc3ccc(F)cc3)nnc2SCC(N)=O)c1,0 +COCCn1nnnc1C(c1ccc(OC)cc1)N1CCC(C)CC1,0 +COc1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2cccnc2)c1,0 +CCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0 +O=C(c1ccco1)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1,0 +COc1cccc(-c2noc(CCC(=O)NC3CCCCC3)n2)c1,0 +O=C(O)C(c1ccccc1)C1(O)CCCC1,0 +Cc1ccc(-c2nnc(Nc3ccccc3)o2)cc1,0 +Cc1csc(NC(=O)c2cnccn2)n1,0 +COc1cccc(CNC2CCCC2)c1,0 +CC(=O)Nc1nonc1NC(=O)CSC1=NCCS1,0 +CC(NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1,0 +COc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)no1,0 +CC(C)NC(=O)C1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1,0 +O=C(Nc1ccc(F)cc1)N1CCn2c(nc3ccccc32)C1,0 +Cc1cccc(C)c1NC(=O)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1,0 +O=C1CC(CCC(=O)NC2CC2)c2ccccc2N1,0 +Cc1cc(C)n2nc(SCC(=O)c3cc(C)n(-c4cc(C)on4)c3C)nc2n1,0 +CCOc1ccc(CC2CC(=O)NC2=O)cc1,0 +CCOc1ccc(-c2cc(CCCC(=O)NCc3cccnc3)no2)cc1,0 +COC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O,0 +O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccnc1,0 +COC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,0 +CN1C(=O)N(C)C(NC(=O)Nc2ccccc2)C1NC(=O)Nc1ccccc1,0 +CC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2,0 +N#CC12CCCCC1CC1CCCCC1(C#N)N2Cc1cccnc1,0 +c1ccc(COn2c(-c3ccccc3)nc3c2CCc2nonc2-3)cc1,0 +CCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C)c1,0 +Cc1cc(C(=O)NCc2cc(C(=O)O)oc2C)c(C)o1,0 +O=S(=O)(c1cccc(-c2cn3cccnc3n2)c1)N1CCOCC1,0 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+O=C(NCc1ccccc1F)C1CCCN(C(=O)NC2CCCCC2)C1,0 +CCNc1nc(NCC)n2c(SCc3nc(=O)c4ccccc4[nH]3)nnc2n1,0 +CC(C)(C)OC(=O)NCc1nc(N)n[nH]1,0 +COc1ccccc1NC(=O)CSc1nnnn1C,0 +O=C(c1ccco1)N1CCN(C(c2cccs2)c2sc3ncnn3c2O)CC1,0 +O=C(CCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccco1,0 +C=CC(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl,0 +CCCCC(=O)Nc1nnc(SCC(=O)N2CCN(c3ccccc3OC)CC2)s1,0 +CCOC(=O)C(C)n1cnc2c(nnn2-c2ccc(C)cc2)c1=O,0 +COC(=O)CC1=Nc2ccccc2NC(=O)C1,0 +O=C(O)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,0 +Cc1cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c(C)n1CC1CCCO1,0 +CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2Cc1ccccc1,0 +O=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NCc1ccco1,0 +c1ccc(-n2nnnc2Oc2cccc3cccnc23)cc1,0 +CCOc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1,0 +CN(C)c1nc(N)nc(Nc2ccccc2C#N)n1,0 +Cc1c(C)n(Cc2ccccc2)c2ncnc(N)c12,0 +Cc1csc2ncc(C(=O)NCc3ccccc3Cl)c(=O)n12,0 +CCN(CC(=O)NC1CCS(=O)(=O)C1)c1nc(-c2ccccc2)nc2ccccc12,0 +O=C(NCCOc1ccccc1)C1CCCN1C(=O)c1cccs1,0 +COc1ccc(CC(=O)NC2=NC3=NC(=O)CC(c4ccccc4)N3N2)cc1OC,0 +O=C(NC1=NCCS1)C1Cc2ccccc2CN1C(=O)c1ccccc1,0 +O=C(Nc1ccc(N2CCOCC2)cc1)c1cnsn1,0 +CCOC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,0 +Cc1cc(C)nc(N2CCCC(C(=O)NCCc3cccc(F)c3)C2)n1,0 +COCc1[nH]nc2c1C(c1ccc(F)cc1F)C(C#N)=C(N)O2,0 +Cc1ccc(SCc2nnc(N)s2)cc1,0 +CCN(CC)c1nc(C#N)cc(-c2ccc(OC)cc2)n1,0 +Cc1ccc(NC(=O)CC(=O)NCCN2CCOCC2)cc1,0 +Cc1ccc(-n2nnnc2SCC(=O)NCCC2=CCCCC2)c(C)c1,0 +CCCc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)OCC,0 +CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccccc1,0 +COc1cc(NC2c3ncccc3C(=O)N2Cc2ccco2)cc(OC)c1,0 +COc1cc(OC)c(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl,0 +COc1ccc(-n2c(=O)cc(N3CCc4ccccc43)[nH]c2=O)cc1,0 +O=C(NCCc1ccccc1)c1c(O)n2c3c(cccc3c1=O)CC2,0 +Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1C,0 +CCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(C)on1,0 +CC(C)COC(=O)c1nnsc1NC(=O)Nc1ccccc1,0 +Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NCc1ccco1,0 +COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1,1 +CN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1,0 +NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1,0 +O=C(CSc1ncn[nH]1)Nc1nnc(-c2ccccc2)s1,0 +C1=Nc2c(NCc3ccccc3)ncnc2Oc2ccccc21,0 +Cc1ccc2nc(SCC(=O)Nc3cc(C)on3)[nH]c2c1,0 +COCCNc1oc(-c2ccccc2Cl)nc1C#N,0 +Cc1noc(C)c1COC(=O)Cc1ccc(Cl)cc1,0 +Cc1cccc(NC(=O)CSc2nnc(Cn3nnc(-c4ccccc4)n3)n2-c2ccccc2)c1,0 +O=C(NCc1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1,0 +Cc1cc2ccccc2nc1SCC(=O)N1CCCC1,0 +COc1ccc2cc3cc(C(=O)NCCc4ccc(OC)c(OC)c4)oc3nc2c1,0 +O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ncccn2)CC1,0 +O=C(O)c1cccc(COc2ccccc2Cl)c1,0 +CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CC2,0 +CCOC(=O)c1c(C)nn(Cc2cccc(Cl)c2)c1N,0 +CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)CC1,0 +CC(C)C(NC(=O)NCCc1ccc(F)cc1)C(=O)O,0 +CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C)s1,0 +Cc1nc2ncnn2c(Nc2ccc3c(c2)OCO3)c1Cc1ccccc1,0 +CCc1nnc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)s1,0 +CC1(C)Cc2ccccc2C(Nn2cnnc2)=N1,0 +CC(=O)c1cccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1,0 +Cn1c(=O)c2c(nc(NCCCO)n2CCc2ccccc2)n(C)c1=O,0 +O=c1cc(-c2ccccc2)[nH]n1-c1nc2ccccc2s1,0 +N#Cc1c(-c2ccco2)cc(-c2cccnc2)nc1N,0 +CCCCCCn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C,0 +Cc1ccc(Cn2ccc(NC(=O)c3noc4c3CCCC4)n2)cc1,0 +Cc1cc(C)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1,0 +c1ccc(-c2cnnc(N3CCCCC3)n2)cc1,0 +CCCC(=O)Nc1cc(-c2cn3cccnc3n2)ccc1OC,0 +O=C(CNS(=O)(=O)c1cccs1)N1CCc2ccccc2C1,0 +Cn1c(C(=O)NCc2cccnc2)cc2sc(Cl)cc21,0 +O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCc2ccccc2C1,0 +Cc1cc2cc(CN(C(=O)C3CC3)C3CCCC3)c3nnnn3c2cc1C,0 +COc1cc2c(cc1OC)CN(C(=O)c1cccs1)CC2,0 +Cc1noc(C)c1COC(=O)C1(c2cccc(F)c2)CCCC1,0 +O=C(CCc1nc(-c2ccccc2F)no1)NCCc1ccccc1Cl,0 +c1ccc(-c2ccc(-c3nc(-c4cccnc4)no3)cc2)cc1,0 +Nc1nc(NC(=O)c2cccnc2)nn1-c1ccccc1,0 +O=C(NCCCn1ccnc1)c1cccnc1,0 +CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1,0 +O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1,0 +COc1ccccc1CNc1nc2nc(C)c(Cl)c(=O)n2[nH]1,0 +CCOC(=O)c1cnn(-c2ncnc3c2cnn3Cc2ccccc2)c1N,0 +Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1,0 +COC(=O)C(C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1,0 +CC(C)Cn1c(CNC(=O)c2ccccc2)nc2ccccc21,0 +CCCC1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21,0 +CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccco3)c2CO1,0 +Cc1ccc(CNc2ccc3c(c2)OCO3)cc1,0 +Cc1c(Cl)cccc1NC(=O)CCN1CCCCCC1,0 +Cc1cc(NC=C2C(=O)CCCC2=O)no1,0 +Cc1ccc(CC2CC(=O)N(c3cc(C)on3)C2=O)cc1,0 +COc1ccc2nc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3c(C)nn(C)c3C)sc2c1,0 +CCCn1nnc(NC(=O)c2cc3ccccc3o2)n1,0 +CCc1ccc(S(=O)(=O)NCCc2cn3ccccc3n2)s1,0 +COc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC,0 +O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)o1,0 +CCCN(CCC)C(=O)CCS(=O)(=O)c1cccc2nsnc12,0 +O=C1C=CC(Cl)=C/C1=C\Nc1nccs1,0 +COc1ccccc1CNC(=O)CCCNS(=O)(=O)c1cccc2nsnc12,0 +C=C(C)Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc21,0 +CCn1c(C)c(C(C)=O)c(N2CCCCC2)nc1=S,0 +CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1NCC1CCCO1,0 +CCCCn1c(C(C)NC(=O)c2cccs2)nc2ccccc21,0 +COc1cccc(CC(=O)Nc2nccs2)c1,0 +COc1ccc(C(C#N)C2(C)OCCO2)cc1OC,0 +Cc1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1Cl,0 +O=C(Oc1ccc(-c2nnco2)cc1)N1CCCCC1,0 +Cc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(C3CC3)s2)cc1C,0 +c1cn(C23CC4CC(CC(C4)C2)C3)cn1,0 +CC1=C(n2nnc3ccccc32)C(c2ccccc2)C(C#N)=C(N)O1,0 +CCOc1ccc(N(CC(=O)NC2CCCC(C)C2C)S(=O)(=O)c2c(C)noc2C)cc1,0 +CCCNC(=O)c1ccc(SC)cc1OC,0 +CCOC(=O)N1CCC(NC(=O)C2CCCN(C(=O)c3cc4sccc4n3C)C2)CC1,0 +O=C(CSc1ccc(-c2ccccc2)nn1)N1CCOCC1,0 +Cc1cc(=O)nc2n(Cc3ccccc3)[nH]cc1-2,0 +NC(=O)C1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1,0 +COC(=O)c1nc(-c2ccccc2)n[nH]1,0 +Cn1ccnc1Sc1nnnn1-c1ccccc1,0 +Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3)n2C)n(C)c1=O,0 +O=C(NCc1cccnc1)c1cnn2ccccc12,0 +COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1,0 +COc1ccc(C2CC(=O)C(=CNCCN3CCN(C(C)=O)CC3)C(=O)C2)cc1OC,0 +O=C1CC(Sc2ncccn2)C(=O)N1c1ccccc1C(F)(F)F,0 +c1ccc(OCCCn2nnc(-c3cccnc3)n2)cc1,0 +CCOC(=O)c1sc2ncn(C(C)C(=O)OCC)c(=O)c2c1C,0 +CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC2c2nc3ccccc3s2)cc1,0 +Cc1ccc(-c2nc(C#N)c(NCCc3ccccn3)o2)cc1,0 +CCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C)cc2)cc1,0 +CCCN(C(=O)c1ccccc1N)c1c(C)n(C)n(-c2ccccc2)c1=O,0 +C1CCC(Nc2nnnn2C2CCCCC2)CC1,0 +CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1,0 +Cc1nc2nc3c(c(=O)n2[nH]1)CCC3,0 +COc1ccccc1CNc1nc2nc(C)c(C)c(=O)n2[nH]1,0 +Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(=O)N(C)C)n1,0 +O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21,0 +COC(=O)COc1ccc(Oc2cc(C)nc(SC)n2)nn1,0 +CCc1c(C)nc2ncnn2c1N1CCC(C(=O)NCc2cccc(OC)c2)CC1,0 +Cc1ccc2nc3c(cc2c1)CN(Cc1ccco1)/C(=N/CC1CCCO1)S3,0 +Cc1cc(Oc2ccccc2)nc(SCC(N)=O)n1,0 +CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1cccnc1,0 +Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CN2CCCC2)n3C)c(=O)c2ccccc12,0 +Cc1sc2c(c1C)CN(C1CC(C)(C)NC(C)(C)C1)CN2C(=O)c1ccco1,0 +CS(=O)(=O)N1CCC(NC(=O)Cc2ccccc2)CC1,0 +Cn1cccc1C(=O)Nc1nc(-c2ccccn2)cs1,0 +CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1,0 +CCn1c(-c2ccc(F)cc2)n[nH]c1=S,0 +COc1ccc2nc(SCc3cnc(C)nc3N)[nH]c2c1,0 +Cc1ccccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C(C)C,0 +O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)NCc1ccco1,0 +Cc1cc(NC(=O)CSCCc2ccncc2)no1,0 +CCNC(=O)NCCc1c[nH]c2ccc(Cl)cc12,0 +C=CCN1CC(c2nc3ccccc3n2Cc2ccccc2)CC1=O,0 +O=C1C2CSCN2C(=O)CN1CCc1cccc(F)c1,0 +O=C(OCC(=O)N1CCOCC1)c1ccc2c(c1)OCCO2,0 +C1=C(c2ccccc2)CCN(c2ncnc3nc[nH]c23)C1,0 +CC(=O)CN1Cc2ccccc2/C1=N/C(=O)Nc1ccccc1,0 +O=C(c1nc2ncccn2n1)N1CCc2ccccc2C1,0 +COCC(C)NS(=O)(=O)c1ccc(OC)cc1,0 +COc1ccc(OCCSc2ncccn2)cc1,0 +COCCCNC(=O)CCc1nc(-c2ccccc2Cl)no1,0 +Cc1cc(N2CCCC2)n2nc(C)c(-c3ccccc3)c2n1,0 +O=c1c2c[nH][nH]c-2nc(=S)n1-c1ccccc1F,0 +Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc32)cc1,0 +CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1,0 +O=C(Cc1c(F)cccc1Cl)Nc1cccnc1,0 +Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)o1,0 +Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1,0 +CC1(C)CC(=O)c2cc(C(=O)NCc3ccco3)c(=O)n(-c3ccccc3)c2C1,0 +Cc1cc(N2CCC(C)CC2)nc(-n2nc(C)cc2C)n1,0 +COc1ccc(CCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1,0 +CCOC(=O)CC1C(=O)NC2CCCCC2N1C(=O)Nc1ccc(Cl)cc1,0 +COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)no2)c1,0 +CNC(=O)CC(C(=O)O)c1ccc(OC(C)C)cc1,0 +COC(=O)Cc1n[nH]c(=S)[nH]c1=O,0 +CCOC(=O)C1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1,0 +Cc1cccc(-n2ncc3c(N4CCN(c5nc(C)cc(C)n5)CC4)ncnc32)c1,0 +Cc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1,0 +CCC(C(=O)N1CCN(c2ccccn2)CC1)n1nc(C)n2c(cc3occc32)c1=O,0 +Nc1ccccc1S(=O)(=O)c1ccccc1N,0 +c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1,0 +N=c1ccccn1CC(O)COc1ccccc1,0 +Cc1ccccc1-n1c(SCc2c(C)noc2C)nnc1-c1ccncc1,0 +N#Cc1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)cc1,0 +CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)C(c1ccccc1)c1ccccc1,0 +Cc1ccc(-c2nc(C(=O)NC3CCCCCC3)no2)cc1,0 +C=CCOc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C,0 +Cc1csc(NC(=O)C2CCN(C(=O)CSc3nnc(C)n3Cc3ccccc3)CC2)n1,0 +O=C(CN1C(=O)COc2ccccc21)N1CCN(c2ccccc2F)CC1,0 +O=C(NCCC1=CCCCC1)c1cnccn1,0 +COc1ccc2c(C(=O)CN3CCN(CCO)CC3)c[nH]c2c1,0 +CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CSc1ncccn1,0 +C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C,0 +CC(C)=CCSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1,0 +Nc1nnnn1/N=C/c1ccccn1,0 +Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1N,0 +COc1ccccc1-c1nnc2sc(COc3ccccc3)nn12,0 +O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccc(O)cc1,0 +CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1,0 +CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)C2=C(CCCC2=O)N1,0 +COc1ccc(CCNc2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1OC,0 +Cc1c(Cl)cccc1NC(=O)c1cc(C2CC2)on1,0 +Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCC1,0 +CC(NC(=O)Cn1cc2c(n1)CCCCC2)c1ccccc1,0 +COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1,0 +Nc1nnc(SCC(=O)c2ccccc2)s1,0 +O=C(N1CCOCC1)N1CCC(n2nnc3cc(F)ccc32)CC1,0 +CN(c1ccc(O)cc1)c1nc(-c2ccccc2)cs1,0 +COCCNC(=O)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(C)=O)c1,0 +CCOC(=O)c1[nH]c(C)c(C(=O)NCc2cccnc2)c1C,0 +Cc1noc(C(=O)N2CC3(C)CC2CC(C)(C)C3)c1Cl,0 +COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC,0 +Cc1cccc(Nc2nc(-c3ccccn3)cs2)n1,0 +CCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1,0 +Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)n1,0 +c1ccc(OCCCn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1,0 +Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C)c3O)CC2)cc1,0 +CCN(CC)C(=O)CSc1nnc(-n2nc(C)cc2C)c2ccccc12,0 +CCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1,0 +COc1cc(C(=O)Nc2cc(Cl)ccc2C)c(-n2cnnn2)cc1OC,0 +COc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N(C)C3CCCCC3)cc2c1,0 +Cc1ccc(Oc2nsnc2N2CCOCC2)cc1,0 +Cc1csc(NC(=O)c2nc3nc(C)cc(C)n3n2)n1,0 +Fc1ccc(-n2cnnn2)c(F)c1,0 +Cc1ccc(C2CC(=O)c3cnc(N4CCN(c5ccccc5)CC4)nc3C2)cc1,0 +COc1ccccc1Oc1cc(C#N)c(C#N)cc1-n1nnc2ccccc21,0 +Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1,0 +Cc1cc2cc(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1C,0 +COCc1nnc(NC(=O)CCCOc2ccccc2OC)s1,0 +Cc1nn(C)cc1CNC(=O)CCC(=O)O,0 +COc1cccc(-c2csc(N3CCN(C(=O)Nc4ccccc4OC)CC3)n2)c1,0 +CC(C)C(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1,0 +Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2c(C)noc2C)c1,0 +O=C(Cc1ccccc1)Nc1cccc(-c2nc3ncccc3o2)c1,0 +Cc1ccc2nc(Nc3ccc4[nH]c(=O)[nH]c4c3)c(-n3nc(C)cc3C)nc2c1,0 +CC1(C)NC(=O)N(CC(O)CN2CCOCC2)C1=O,0 +COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)cc1OC,0 +COCCn1c(SCC(=O)N2CCCCC2)nc2cccnc21,0 +Cc1ccc2c(c1)N(CCC(=O)N1CCC3(CC1)OCCO3)C(=O)CO2,0 +Cc1ccc(Nc2cc(C)nn2-c2nc(=O)cc(C)[nH]2)cc1,0 +O=c1oc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21,0 +Cc1cc(-c2nc3c4c5c(sc4nc(=O)n3[nH]2)CCC5)c(C)o1,0 +Cc1c(C)n(C(=O)CSc2ncn[nH]2)c2ccccc12,0 +Cn1nnnc1SCCNC/C=C/c1ccccc1,0 +COc1ccc(CCn2c(N)cc(=O)[nH]c2=S)cc1OC,0 +CCc1c(C)nc(N)n2c(SCC(=O)N3CCCc4ccccc43)nnc12,0 +CCOc1nc(OCC)nc(N2CCC(C)CC2)n1,0 +O=C(CCc1ccccc1)Nc1ncn[nH]1,0 +COc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1,0 +COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC,0 +O=C(c1csc2c1CCCC2)n1cccn1,0 +COc1cc(C(=O)N(Cc2ccco2)Cc2cc3ccccc3[nH]c2=O)cc(OC)c1OC,0 +Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CCC2,0 +Cc1cc(C)c2c(n1)nn1c(NCCN3CCOCC3)cc(C)nc21,0 +CCCc1cc(=O)n2[nH]c(NCc3c(Cl)cccc3Cl)nc2n1,0 +CCOC(=O)N1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1,0 +CCOC(=O)C1C(=O)NC(N2CCN(Cc3ccccc3)CC2)=NC1c1ccco1,0 +O=N/C=C1/C=CC(C(=O)NCC2CCCO2)=CN1,0 +O=C(CCC1CC(=O)Nc2ccccc21)NCc1cccnc1,0 +CCOC(=O)c1sc2ncn(CC(=O)NCC3CCCO3)c(=O)c2c1C,0 +N#CC1=C(NCCc2ccccc2)C(=O)NCCC1,0 +CNc1cc(C)nc(-n2nc(C)cc2C)n1,0 +CC1(C)Cc2ccccc2-c2c1c(=O)n(-c1ccccc1)c1nnnn21,0 +Cn1c(SCc2nc(-c3cccs3)no2)nnc1C1CCCCC1,0 +COc1cccc(Nc2nnc(SCC(=O)N3CCOCC3)s2)c1,0 +NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1,0 +CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1N,0 +Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)c1,0 +O=C(CN1CCCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCCC4)ccc3o2)cc1,0 +CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1,0 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+COc1ccc(OC)c(CNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)c1,0 +Cc1cc(C(=O)O)cc(S(=O)(=O)N2CCOCC2)c1C,0 +COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)n[nH]c2C)cc1,0 +Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC1=NCCS1,0 +CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1,0 +Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1,0 +CCN(CC)S(=O)(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1,0 +CCOc1ccccc1Nc1nc(N)nc(CSc2nccc(C)n2)n1,0 +CCOc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1,0 +CCSc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1,0 +CC(C)CCn1c(SCC(=O)OCn2nnc3ccccc3c2=O)nc2ccccc2c1=O,0 +Cc1cc(C)nc(SCCCn2c(=O)[nH]c3ccccc32)n1,0 +CCn1c(SCC(=O)NCCOc2ccccc2)nc2ccccc2c1=O,0 +O=C(Nc1ccc2c(c1)OCO2)Nc1cnccn1,0 +CCN(CCC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1,0 +O=C(N1CCOCC1)n1nnc2ccccc21,0 +CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCOCC2)s1,0 +CCc1nnc2c3cnn(-c4ccc(C)c(C)c4)c3ncn12,0 +CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1C2c1ccccc1,0 +Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)sc2c1,0 +O=C(c1cc2ccccn2n1)N1CCCC1,0 +Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)nc2n1,0 +CCCCCc1c(C)[nH]c(N2CCOCC2)nc1=O,0 +O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(F)c1,0 +CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3ccncc3)o2)cc1,0 +COc1cccc(CN(C)CC(=O)NC(=O)NCc2ccco2)c1,0 +CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(CC)CC)C2c2ccncc2)cc1,0 +O=C1Nc2ccccc2OC1CC(=O)N1CCOCC1,0 +COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1,0 +O=C(Nc1nccs1)NC1CCCCC1,0 +Cn1c(=O)[nH]c(=O)c2c1nc(Sc1nc3ccccc3[nH]1)n2CCc1ccccc1,0 +CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccs1,0 +CC1=C(C#N)C(c2cccnc2)C2=C(CC(C)(C)CC2=O)N1,0 +O=C(CSc1n[nH]c(C2CCCC2)n1)NC1CCCC1,0 +COC(=O)c1ccccc1NC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(C)cc2)n1C,0 +Cc1ccc(-c2nnc(SCC(=O)Nc3nc4c(s3)CCCC4)n2C)cc1,0 +Cc1c(NC(=O)N2CCCCCC2)c(=O)n(-c2ccccc2)n1C,0 +CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccs3)C2C1,0 +CCOC(=O)CC(=O)CSc1nc(N)c(C#N)c(-c2ccc(F)cc2)c1C#N,0 +N#CC(C#N)C(c1ccsc1)c1c(-c2ccccc2)[nH][nH]c1=O,0 +NC(=O)CSc1nc2ccccc2n1-c1ccccc1,0 +Cc1nnsc1C(=O)Nc1ccccc1Cl,0 +CSc1nc(C)c(Cl)c(C)c1C#N,0 +O=C(CSc1nc(O)cc(=O)[nH]1)Nc1ccc2c(c1)CCC2,0 +O=S(=O)(Nc1nc2ccccc2nc1NCCO)c1cccc(Cl)c1,0 +Cc1cc(C)nc(N(C#N)CC(=O)N2CCC(C(N)=O)CC2)n1,0 +CC(C)CCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2,0 +Fc1ccc(OCc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1,0 +CCCc1cc(Nc2cccc(OC)c2)n2ncnc2n1,0 +O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1)NCc1ccco1,0 +O=C(NCc1ccccc1)NC1(C(=O)N2CCN(c3ncccn3)CC2)CCCCC1,0 +CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1,0 +Cc1n[nH]c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc1=O,0 +COc1ccc(NC(=O)NCCCN2CCCC2=O)cc1,0 +Cc1nccc2[nH]c(=O)c(C(=O)NC3CCCCC3C)cc12,0 +Cc1ccc(C)c(NS(=O)(=O)c2c(C)nn(C)c2C)c1,0 +COc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(c2=O)SCC3)cc1,0 +Cc1ccc2c(C(=O)CN3CCCCC3CCO)c(C)[nH]c2c1,0 +O/N=C1\CCCc2oc3c(c21)CCCC3,0 +Clc1ncn(C23CC4CC(CC(C4)C2)C3)n1,0 +CCOC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0 +COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2ccc(Cl)cc2)c1=O,0 +Cc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)c(C)c1,0 +CCS(=O)(=O)N1CCC(NC(C)=O)(c2ccccc2)CC1,0 +Cc1cc(/N=C/C=C2\N(C)c3ccccc3C2(C)C)n(CCC#N)n1,0 +Cc1ccc(CS(=O)(=O)CCC(=O)NCCCN2CCCC2=O)cc1,0 +CC(NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1,0 +c1ccc(-c2noc(-c3ccc4ccccc4c3)n2)nc1,0 +CC1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1,0 +CC1=CC2=c3cc(C)ccc3=NC(c3sccc3C)N2N1,0 +Cc1c2c(n3c(nc4ccccc43)c1C#N)N(Cc1cccnc1)CC2,0 +COc1cc2c(cc1OC)C(C(=O)O)C(c1cccc(Cl)c1)N(C)C2=O,0 +CCOC(=O)C1=C(C)Nc2[nH]c(SCC)nc(=O)c2C1c1ccncc1,0 +Cc1ccc(C)c(N2CCN(c3cc(C)nc4nnnn34)CC2)c1,0 +CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cc(C)on2)s1,0 +Cc1cc(C)c(S(=O)(=O)N2CCN(CCO)CC2)c(C)c1,0 +O=C(CSc1nnc(-c2cccnc2)o1)Oc1ccccc1,0 +COC(=O)CC1SC(=O)N=C1Nc1ccc(C)cc1,0 +O=C1CCCN1C(=O)CCC(=O)N1CCCC1=O,0 +CCC(C(=O)OC)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O,0 +Cc1nc2sc(C(c3cccc(F)c3)N3CCOCC3)c(O)n2n1,0 +O=C(c1ccccc1)C(Sc1ncn[nH]1)c1ccccc1,0 +O=C(NCc1cccnc1)c1noc2c1CCCC2,0 +Cc1cccc(N2CCN(C(=O)COc3cc(=O)n(C)c4ccccc34)CC2)c1C,0 +CCOc1ccc(OCC)c(NC(=O)CCCN2C(=O)c3cccnc3C2=O)c1,0 +CCOc1ccc(C2CC(=O)NC(SC)=C2C#N)cc1,0 +COC(=O)c1cc(OC)c(OC)cc1N,0 +Cn1c(=O)c2cn3c(c2n(C)c1=O)C(c1ccccc1)CC(c1ccccc1)=N3,0 +COc1cc(C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1,0 +Cc1cc(NC(=O)c2cccc(C(=O)Nc3cc(C)on3)n2)no1,0 +COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1,0 +CCOc1ccc(NC(=O)C(CC)NC(=O)c2ccccc2CO)cc1,0 +O=C(NCc1ccc(Cl)cc1)c1noc2c1CCCCC2,0 +O=C(NC1CCCCCC1)c1ccc(N2CCCC2=O)cc1,0 +CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1,0 +Cc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C,0 +CCOC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1,0 +COc1ccc(Cc2n[nH]c(Nc3ccc(C)cc3C)nc2=O)cc1,0 +CCn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S,0 +Cc1nn(-c2ccccc2)c(C)c1/C=N/O,0 +CCn1c2ccccc2c2cc(Nc3cc(C)nc4ncnn34)ccc21,0 +COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cnc(C)cn1,0 +Cc1ccccc1-n1c(=O)cc(NCC2CCCO2)[nH]c1=O,0 +Cc1c2c(n3c(nc4ccccc43)c1C#N)N(Cc1ccccn1)CC2,0 +Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2cccnc2)cs1,0 +CCc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0 +CC1Cc2ccccc2N1C(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,0 +Cc1cc(Nc2ccc(F)cc2)n2nc(C)nc2n1,0 +CNC(=O)c1cc(C)c(-c2ccccc2)s1,0 +COc1ccccc1Nc1nnc(SCC(=O)N2CCCC2=O)s1,0 +Cc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1,0 +O=C(NC1CC2CCCC(C1)N2C(=O)NC1CCCCC1)c1ccc(F)cc1,0 +CCC(=O)Nc1ccc(NC(=O)c2ccccn2)cn1,0 +COc1ccc(C)c(Cn2c(-c3nonc3N)nc3ccccc32)c1,0 +Cc1cc(NC(=O)C2CCC2)n(-c2ccccn2)n1,0 +CCn1c(SCC(=O)O)nnc1-c1ccccc1,0 +CCCCn1c(NCCC)nc2c1c(=O)[nH]c(=O)n2C,0 +CCOC(=O)c1c[nH]c2c3c(ccc2c1=O)CCCC3,0 +O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccc2)no1,0 +CCc1ccccc1NC(=O)c1cnccn1,0 +COc1ccccc1-c1cn[nH]c(=S)n1,0 +COc1cccc(NC(=O)N2CCCC2C(=O)NC(C)C)c1,0 +COc1ccc(-c2cc3nc(C)cc(NCCO)n3n2)cc1,0 +CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)CC1,0 +COc1ccccc1NC(=O)N1CCCC1C(=O)NC1CCCCC1,0 +CCCCOc1ccc(NC(=O)CSc2nnnn2C)cc1,0 +COc1ccc(C(=S)N(C)C)cc1OC,0 +CC(C)(C)NC(=O)CSc1nnc(NC(=O)CCn2cnc3ccccc3c2=O)s1,0 +C=CCn1c(=O)c2ccccc2n2c(SCc3cc(=O)n4ccsc4n3)nnc12,0 +Cc1cc(C)n2nc(C(=O)N3CCOCC3)nc2n1,0 +COc1cccc(-c2nnn(CC(=O)NC3CCCC3)n2)c1OC,0 +Cc1cc(NC(=O)CN2CCN(c3ccccc3O)CC2)no1,0 +CC(C)c1cc(=O)oc2c3c4c(cc12)CCCN4CCC3,0 +CNC(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1,0 +Cc1cc(NC(=O)C(C)C)ncc1NC(=O)Cc1ccccc1,0 +c1ccc2c3nnc4n(c-3nc2c1)CCCS4,0 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+O=C(NCc1cccnc1)Nc1cccc(NC(=O)NCc2cccnc2)c1,0 +Nc1nc(-c2cccnc2)nn1C(=O)c1ccco1,0 +Cn1c(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21,0 +CC1Cc2ccccc2N1C(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3,0 +O=C1CCCN1CCCNc1ncnc2c1[nH]c1ccccc12,0 +CSc1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1,0 +CS(=O)(=O)NC1c2cccc3cccc(c23)C1N1CCOCC1,0 +CCN(Cc1ccccc1)C(c1ccccn1)c1nnnn1C(C)(C)CC,0 +O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccccc1F,0 +NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1CC1CCCO1,0 +O=C(NCc1ccco1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12,0 +Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)n1,0 +Cc1ccc2oc3c(c(=O)c2c1)C(c1cccs1)N(CCCN(C)C)C3=O,0 +Cc1nn(C)c(C)c1S(=O)(=O)NC1CCCC1,0 +O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ncccn2)CC1,0 +CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)cc2)CC1,0 +N#CCCCSc1nnc(-c2ccccn2)o1,0 +CCn1c(COc2cccc3ccccc23)nnc1SCC(N)=O,0 +Cc1nnc(SC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1,0 +CN(C(=O)C1CCOC1)c1nnc(-c2ccccn2)s1,0 +CC(C)C1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nncn32)CO1,0 +COc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1OC,0 +Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cc(=O)c3ccccc3o2)n1,0 +Cn1c(SCC(N)=O)nnc1C1CCN(C(=O)NC2CCCCC2)CC1,0 +CCc1nnc(NC(=O)C2CCC2)s1,0 +CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1,0 +CCOC(=O)c1[nH]cnc1C(=O)NC1CCCCC1,0 +c1ccc2sc(N3CCN(Cc4nnnn4CC4CCCO4)CC3)nc2c1,0 +CCOC(=O)CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1,0 +CCOC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1,0 +CN1CCN(C(=O)c2ccc3ccccc3c2)CC1,0 +COc1ccccc1-c1nc(C#N)c(N2CCN(Cc3ccccc3)CC2)o1,0 +Cc1ccc2cc3c(NC(=O)c4ccco4)nn(CC(C)C)c3nc2c1,0 +O=C(O)CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1,0 +CCOc1cccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1,0 +COc1ccccc1NC(=O)CSc1nc(=O)cc(O)n1-c1ccccc1OC,0 +Cc1cccc(NC(=O)COc2nsnc2N2CCOCC2)c1,0 +Cc1ccccc1C(=O)Nc1cccc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c1,0 +CCCC12CN3CC(CCC)(CN(C1)C3c1ccccn1)C2=O,0 +CCN1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1,0 +Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O,0 +Nc1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(Nc2ccccc2)n1,0 +O=C(CC1c2ccccc2Oc2ccccc21)N1CCN(c2ccccn2)CC1,0 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+CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccccc4OC)c3C2=O)CC1,0 +CCOC(=O)C(C)(C)Sc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1,0 +Cc1ccc(-c2nnc(N(C)C(=O)c3cccnc3)s2)cn1,0 +O=C(Cc1cccs1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1,0 +Nn1c(CSc2ccccn2)nc2ccccc2c1=O,0 +Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)C(C(=O)NC2CCCC2)c2cccnc2)no1,0 +Cc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C,0 +COc1ccccc1Nc1nc(N)nc(CSc2ncccn2)n1,0 +c1ccc(Cn2nnc3c(N4CCCC4)ncnc32)cc1,0 +COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1,0 +CC(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1,0 +COc1ccc(-c2cc(NCc3ccccn3)n3ncnc3n2)cc1,0 +OCCSc1nnc(Nc2ccccc2)s1,0 +Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)c1,0 +N#Cc1cc(Sc2ccccn2)c(Sc2ccccn2)cc1C#N,0 +Cn1c(=O)c2c(nc(NCc3ccco3)n2C)n(C)c1=O,0 +Cc1noc(C)c1CSc1nnc2ccc3ccccc3n12,0 +CCOc1cc(CNc2ncnc3nc[nH]c23)ccc1OC,0 +CCCCN(CCCNc1ncnc2nc[nH]c12)c1ccccc1,0 +O=C(Nc1ccc(C2CCCCC2)cc1)C1CCCN(c2ncccn2)C1,0 +Cc1cccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)c1,0 +CCc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2)s1,0 +CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1,0 +CCC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2C)cc1,0 +CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C,0 +O=C(CSCc1ccccc1Cl)N1CCN(c2ccccn2)CC1,0 +O=C(Nc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1)c1ccco1,0 +CSc1ccccc1NC(=O)c1cnccn1,0 +O=C(CSc1nc2ccccc2[nH]1)N1CCN(c2ccccc2)CC1,0 +COc1nc2ccc(C)cc2cc1-c1noc(-c2cccnc2)n1,0 +CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,0 +c1ccc(C2=C(c3ccco3)NNC2=C2N=c3ccccc3=N2)cc1,0 +CCOc1ccc(C(=O)CCNC(Cc2cnc[nH]2)C(=O)O)cc1,0 +Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1cccs1,0 +COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C)on1,0 +O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCCCC1,0 +O=C1CC(c2ccccc2)CN1Cc1ccccc1,0 +Cc1onc(-c2ccccc2)c1C(=O)n1cccn1,0 +CCCOC(=O)CSc1nnc(-c2ccccc2Cl)o1,0 +CCOc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1,0 +COCc1[nH]nc2c1C(c1c(F)cccc1Cl)C(C#N)=C(N)O2,0 +c1ccc(OCc2nn3c(-c4ccncc4)nnc3s2)cc1,0 +Cc1cccc(NC(=O)C23CCC(C)(/C(=N/O)C2)C3(C)C)c1,0 +Cc1ccc2cc(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)c(=O)[nH]c2c1,0 +Cc1noc(C)c1CSc1nnc2cc(C)c3ccccc3n12,0 +O=C(c1cccc(Cl)c1)N1CCCC(C(=O)N2CCCCCC2)C1,0 +CCOc1ccc(NC(=O)CSc2nccn2C)cc1,0 +NC(=O)c1cc(-c2ccccc2)nc(N2CCCCCC2)n1,0 +COc1cccc(C2CC(c3ccccc3Cl)N3NN=NC3=N2)c1,0 +Cc1ccc(-c2nc(NC(=O)CSc3nnnn3-c3ccccc3)ns2)cc1,0 +Cn1c(C(=O)N2CCc3ccccc3C2)cc2c(=O)n3ccccc3nc21,0 +CC(C)CN1C(=O)NC(NC(=O)c2cccs2)(C(F)(F)F)C1=O,0 +COc1cccc(OCc2nnc(SCC(=O)OC3CCCCC3)n2C)c1,0 +c1ccc(Cn2nnnc2CN2CCN(c3ncccn3)CC2)cc1,0 +CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2OC)cn1,0 +O=C(Nc1nnc(CCN2CCCCC2)s1)C1CCCCC1,0 +CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccccn3)cc2C1=O,0 +Cc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)c(C)c1,0 +c1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1,0 +Cc1cccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)c1,0 +COC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1,0 +C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C,0 +O=C(Nc1cnc2sccn2c1=O)c1ccccc1Cl,0 +Cc1cc2c(cc1C)NC(c1ccccn1)C1=C(CC(C)(C)CC1=O)N2,0 +Cn1nnc2cc(NC(=O)NCc3ccc4c(c3)OCO4)ccc21,0 +CC1(C)CC(=O)c2sc(N)nc2C1,0 +COc1ccc(-c2nc(C#N)c(NC(C)c3ccccc3)o2)cc1OC,0 +Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc2nsnc12,0 +O=C(Cc1ccccc1)Nc1nnc(-c2cccs2)s1,0 +Cc1nc2sc(C(c3ccc(Cl)cc3)N3CCOCC3)c(O)n2n1,0 +CCOCC(=O)Nc1nc2ccc(C)cc2s1,0 +COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2o1,0 +CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccco2)CC1,0 +CCN1CCN(c2nc(C)nc3c2sc(=S)n3C)CC1,0 +CCN(CC)C(=O)N1CCN(C(=O)c2ccc(C)cn2)CC1,0 +Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cs1,0 +CCOC(=O)N1CCN(C(=O)c2ccc3nc4cc(Cl)ccc4c(=O)n3c2)CC1,0 +CN(C)S(=O)(=O)N(CCN1CCOCC1)Cc1ccccc1F,0 +COC(=O)c1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1,0 +CCOC(=O)CNC(=O)C1CCCN(c2ncccn2)C1,0 +c1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)nc1,0 +CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1ccccc1)C(C#N)=C(N)O2,0 +Cc1ccc(C(C(=O)NCc2ccco2)N(CC2CCCO2)C(=O)Cn2nnc3ccccc32)cc1,0 +Cc1cccc(C)c1NC(=O)CSc1nnnn1C,0 +COc1cccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)c1,0 +CC(C)CCn1nnnc1C(c1ccc(F)cc1)N1CCC(C(N)=O)CC1,0 +CCOc1ccc(Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1,0 +COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCC(C)CC4)cnc32)c1,0 +O=C(Cn1ncc2ccsc2c1=O)N1CCC2(CC1)OCCO2,0 +COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3)cc2)nc(OC)n1,0 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+COCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccc1,0 +Cc1cc(=O)nc(SCC(=O)c2ccc(C)c(C)c2)[nH]1,0 +O=C(Nc1ccc2c(c1)OCO2)c1c(Cl)nc2sccn12,0 +CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3OCC)c2N)cc1,0 +COc1cccc(CNn2c(-c3cccc(C)c3)nc3ccccc3c2=O)c1O,0 +Cc1ccc(C(=O)NCCNC(=O)CN2CCOCC2)cc1,0 +COCCn1c(C)cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c1C,0 +CC(C)(C)OC(=O)NCCc1nnc(SCC(N)=O)o1,0 +COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1,0 +COc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1,0 +CCn1c2c(c3ccc(OC)cc31)CCCC2=O,0 +Cc1nnc(SCC(=O)Nn2cnnc2)s1,0 +Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1,0 +CC(C)(C)n1nnc(CCc2nnn(C(C)(C)C)n2)n1,0 +O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccco1,0 +CCOC(=O)c1sc(NC(=O)C2CCCO2)c(C(=O)OC)c1C,0 +CC(C)c1ccc(-c2[nH]c(N3CCCCC3)nc(=O)c2C#N)cc1,0 +O=C1c2ccccc2C(=O)N1CCSc1nncs1,0 +O=C1CC(c2ccc(S(=O)(=O)NC3CC3)cc2)CN1,0 +COc1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1,0 +COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)o1,0 +CC1CC(Nc2ccccc2)c2ccccc2N1C(=O)c1cccnc1,0 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+CNC(=O)Nc1ccccc1C(=O)NCc1ccccc1,0 +O=C1c2sc3nc4ccccc4n3c2C(=O)N1c1ccccc1Cl,0 +Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccco1,0 +Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccco1,0 +Cn1c(=O)c2c(=O)cc(O)n(-c3ccccc3)c2n(C)c1=O,0 +COc1ccc(-c2c3c([nH]c(=S)c2C#N)CCC3)cc1,0 +O=C1CC(c2ccccc2)Sc2ccccc2N1,0 +Cc1cc(Cn2ccnc2)c(C)cc1Cn1ccnc1,0 +CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1cc(C)ccn1)c1ccc2c(c1)OCO2,0 +Cc1cccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)n1,0 +CCOc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2ccco2)cc1,0 +O=S(=O)(c1cccc(-c2nnco2)c1)N1CCCC1,0 +c1ccc2sc(SCc3ccc(-c4nnco4)cc3)nc2c1,0 +Cc1ccc2cccc(Oc3cnccn3)c2n1,0 +CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccs1,0 +COC(=O)c1nnn(-c2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1C,0 +COc1ccc(OCCSc2nnc(-c3ccccc3)n2N)cc1,0 +COc1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)cc2)cc1,0 +O=C(O)CSC1=NN/C(=C2/C=CC=CC2=O)N1Cc1ccccc1,0 +COc1ccccc1-c1c(C)nn2c(C)cc(C)nc12,0 +COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)c1,0 +Cn1c(NC(=O)c2cccnc2)nc2ccccc21,0 +CCCN1C(=O)c2ccc(C(=O)NC3=NCCS3)cc2C1=O,0 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+C=CCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1,0 +Cc1cccc(-n2ncc3c(NCCCO)ncnc32)c1,0 +Cc1cccc(OCc2nnc(SCc3nc(=O)c4ccccc4[nH]3)o2)c1,0 +COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)CNC(C)=O)cc1,0 +CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2cccnc12,0 +O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCC1CCCO1,0 +CCOC(=O)N1CCN(C(=O)Cn2nc(C)c3sc4ccccc4c3c2=O)CC1,0 +Cc1c(C(=O)NCc2ccccn2)sc2nc(-c3ccc(F)cc3)cn12,0 +COc1cccc(/C=N/n2cncn2)c1OCC#N,0 +COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C)on3)no2)c1,0 +CCOC(=O)C(Sc1ncn[nH]1)c1ccccc1,0 +COc1ccc(NC(=O)NCc2cccnc2)cc1OC,0 +Cc1cccc(Cn2c(CN3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1,0 +Clc1ccc2nc(N3CCN(c4ccccc4)CC3)sc2c1,0 +CCN(CCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1,0 +CC(C)OC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc2C1,0 +CC(C)(C)c1cc(-c2ccco2)c(C#N)c(SCC#N)n1,0 +COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(-n3[nH]c(=O)c(C)c3C)n2)cc1,0 +CC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1,0 +COc1ccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cc1,0 +CCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)c3C#N)C2=O)cc1,0 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+NC(=O)CSc1c[nH]c2ccccc12,0 +CCOC(=O)c1c(C)c(C(=O)N2CCC3(CC2)OCCO3)c(C)n1CC,0 +O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ccnc2ccccc12,0 +Cc1cc(C)c2c(n1)nn1c(NCCCn3ccnc3)cc(C)nc21,0 +Cc1cc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)ccc1F,0 +CC(C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O,0 +c1ccc(-c2nnnn2CCOCCn2nnnc2-c2ccccc2)cc1,0 +COCCNC(=O)C(c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1,0 +CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,0 +COc1ccc(-c2nnc3ccc(SCC(=O)N4CCCCC4)nn23)cc1OC,0 +CC(C)(C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1,0 +COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(N)n1)CC2,0 +Cc1ccc(-n2nc3ccc(N)cc3n2)cc1,0 +Cc1cccc(Cn2c(N3CCCCC3C)nc3c2c(=O)[nH]c(=O)n3C)c1,0 +Cc1cccc(-n2c(SCC(=O)NCc3ccco3)nc3ccccc3c2=O)c1,0 +COc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1,0 +Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1,0 +Cc1cc(=O)oc(C)c1C(=O)n1nc(C)c2c1CC1C2C1(C)C,0 +COc1ccc(CCNC(=O)CSc2nnc(Cc3csc(N)n3)n2C)cc1OC,0 +O=c1c(CN2CCN(Cc3ccccc3)CC2)coc2ccc(Cl)cc12,0 +C=CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1sc(N)nc1C,0 +CN(C(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2,0 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+Cc1ccc(C)c(NC(=O)c2nnn(Cc3ccccc3C)c2N)c1,0 +O=C(NCc1n[nH]c(=S)n1-c1ccc(F)cc1)c1ccco1,0 +Cc1nn2c(-c3ccccc3)c(-c3ccccc3)[nH]c2nc1=O,0 +O=C(CCc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1,0 +O=C(NCCCN1CCCC1)c1cccc(N2CCCC2=O)c1,0 +O=C(Cn1nnc(-c2ccccc2)n1)NCc1cccs1,0 +O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2c(c1)OCCO2,0 +CC1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1,0 +O=C(OCCOCCNC1=NS(=O)(=O)c2ccccc21)c1ccncc1,0 +CC1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC(C)O1,0 +C=CCn1c(C)cc(C(=O)COc2nncc3ccccc23)c1C,0 +O=C1OCCC1Sc1nnc(-c2cccs2)n1Cc1ccccc1,0 +COc1ccc(Nc2cc(C)nc3ncnn23)c(OC)c1,0 +C=C(C)CSc1nnc(-c2ccccc2)n1N,0 +CCc1nc(N)nc2c1C(=O)CC(C)(C)C2,0 +COC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1,0 +CCCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1,0 +CCOC(=O)c1ccc(Oc2nc(NC)nc(OC)n2)cc1,0 +O=C(Cn1ccs/c1=N\C(=O)c1ccco1)c1ccccc1,0 +CN(C(=O)c1cccnc1)c1nc(-c2ccccc2)cs1,0 +Cc1cc(C)n2nc(C(=O)NCc3ccco3)nc2n1,0 +CN(C(=O)c1ccncc1)c1nnc(-c2ccncc2)s1,0 +CC(=O)Nc1nc(=S)n(-c2ccccc2)[nH]1,0 +CCOC(=O)c1c(NC(=O)CSc2ncn[nH]2)sc(C)c1C,0 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