ID large_stringlengths 7 13 | smiles stringlengths 1 288 | selfies stringlengths 3 1.14k | safe stringlengths 1 292 |
|---|---|---|---|
CHEMBL1369408 | COc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | c18ccc2c(c1)OCCO2.c16ccc7cc1.C5CCC4=O.CO6.O57.N48 |
CHEMBL1369409 | CC(C)CCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C] | S6(=O)(=O)c1ccc(Cl)cc1.C17CCC8CC1.CC(C)CC4.C37=O.N34.C58.N56 |
CHEMBL4943154 | Cn1cnnc1-c1cncc(NC(=O)c2ccc(Cl)cn2)c1 | [C][N][C][=N][N][=C][Ring1][Branch1][C][=C][N][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring1][S] | c16cncc4c1.c15ccc(Cl)cn1.Cn1cnnc16.C35=O.N34 |
CHEMBL4943155 | C[C@]1(/[N+]([O-])=C/c2cccc(Cl)c2)CCCCC1=O | [C][C@][Branch1][P][/N+1][Branch1][C][O-1][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][C][Ring1][S][=O] | CC1([N+]([O-])=Cc2cccc(Cl)c2)CCCCC1=O |
CHEMBL4943156 | C/C(=C\c1ccccc1)CN1[C@H]2CCNC[C@@H]1CC2 | [C][/C][=Branch1][#Branch2][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C@H1][C][C][N][C][C@@H1][Ring1][#Branch1][C][C][Ring1][Branch2] | N13C2CCNCC1CC2.C=4c1ccccc1.CC=4C3 |
CHEMBL1369410 | CCOC(=O)Cc1cc(-c2ccccc2)nc2ccc3ccccc3c12 | [C][C][O][C][=Branch1][C][=O][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][Ring1][#Branch2] | c16cc7nc2ccc3ccccc3c12.c17ccccc1.C4(=O)C6.CC5.O45 |
CHEMBL1369411 | C=CCOc1ccc2oc(=O)cc(C)c2c1 | [C][=C][C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][N] | c14ccc2oc(=O)cc(C)c2c1.C=CC3.O34 |
CHEMBL1370717 | COc1ccc(C(=O)c2oc3ccc(OC)cc3c2NC(C)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][O][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][#Branch1] | c18oc2ccc6cc2c17.c15ccc9cc1.C89=O.C4(C)=O.CO5.O6C.N47 |
CHEMBL1370718 | CCn1c(N)c(C(=O)NCC2CCCO2)sc1=S | [C][C][N][C][Branch1][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][S][C][Ring1][#C][=S] | n16c(N)c5sc1=S.C17CCCO1.C35=O.CC6.N34.C47 |
CHEMBL1370719 | COc1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1O | [C][O][C][=C][C][Branch2][Ring1][Ring2][/C][=C][/C][=C][C][=C][C][=C][C][=C][Branch1][C][O][C][Ring1][#Branch1][=N][Ring1][O][=C][C][=C][Ring2][Ring1][Ring1][O] | C=5c1ccc2cccc(O)c2n1.c14cc(C=5)ccc1O.CO4 |
CHEMBL4943233 | CCc1cc(C(=O)Nc2cnns2)[nH]n1 | [C][C][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=C][N][=N][S][Ring1][Branch1][NH1][N][=Ring1][=N] | c16cc5[nH]n1.c14cnns1.C35=O.CC6.N34 |
CHEMBL4943234 | CCc1ccccc1NC(=O)N1CCC(n2cnc3cccnc32)CC1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring1][#C] | n18cnc2cccnc21.c17ccccc16.N15CCC8CC1.C45=O.CC7.N46 |
CHEMBL4943235 | Fc1ccc(OCc2nccc(-c3ccc4c(c3)OCO4)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][N][O][C][C][=N][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | c18ccc2c(c1)OCO2.Fc1ccc6cc1.c17nccc8n1.O56.C57 |
CHEMBL4943236 | CC(C)[C@H](NC(=O)NCCc1ncnn1C)c1ccccc1Cl | [C][C][Branch1][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=N][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c17ccccc1Cl.c16ncnn1C.CC(C)C47.C23=O.C5C6.N24.N35 |
CHEMBL1370720 | COC(=O)c1ccc(COC(=O)c2ccc(N(C)C)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c17ccc9cc1.c18ccc6cc1.C37=O.C48=O.N6(C)C.CO3.C59.O45 |
CHEMBL1370841 | COC(=O)CCC(=O)OC1(C)C(=O)C2=CN(C3CCCC3)C(c3ccc(OC)cc3)=CC2=C(Br)C1=O | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][Ring2][Ring1][Ring1][=C][Branch1][C][Br][C][Ring2][Ring1][#Branch2][=O] | C16(C)C(=O)C2=CN8C(c3ccc7cc3)=CC2=C(Br)C1=O.C4(=O)CCC5=O.C18CCCC1.CO4.O56.O7C |
CHEMBL1370842 | O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(CCc2ccccc2)C1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | c17ccc2c(c1)OCO2.C15CC(=O)N6C1.c18ccccc1.O=C35.C6C8.N34.C47 |
CHEMBL1370843 | Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)c1 | [C][C][=C][C][=N][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#C] | Cc1ccnc8c1.C3(=O)CCC4=O.C19CCCCC1.c1%10ccccc1.C6C5=O.N467.N38.N59.C7%10 |
CHEMBL4943307 | O=S(=O)(c1cccc2cccnc12)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C@H1][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][Ring1][S] | O=S4(=O)c1cccc2cccnc12.N14CCC5C1.n15cc6nn1.c16ccccc1 |
CHEMBL4943308 | O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cc(O)ccc1C(F)(F)F | [O][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=N][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15cc(O)ccc19.c18ccccc1.C167CC1.C9(F)(F)F.O=C35.C78O.N34.C46 |
CHEMBL4943309 | Cc1cc(O)nc(C(=O)N2CCc3c(C)cc(C)cc3C2)c1 | [C][C][=C][C][Branch1][C][O][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][Ring1][N][=C][Ring2][Ring1][Branch1] | N14CCc2c(C)cc(C)cc2C1.Cc1cc5nc(O)c1.C45=O |
CHEMBL4943310 | N#CCN(c1cc(F)cc(F)c1)S(=O)(=O)c1cccn2cnnc12 | [N][#C][C][N][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1] | S4(=O)(=O)c1cccn2cnnc12.c15cc(F)cc(F)c1.N#CC3.N345 |
CHEMBL4943311 | CN(CCN(C)S(=O)(=O)c1c(Cl)cccc1Cl)C1CCCCC1 | [C][N][Branch2][Ring1][#Branch2][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][C][C][C][C][Ring1][=Branch1] | S4(=O)(=O)c1c(Cl)cccc1Cl.C15CCCCC1.CN25.C2C3.N34C |
CHEMBL1365301 | CCCc1cc(O)nc(SCc2ccccc2)n1 | [C][C][C][C][=C][C][Branch1][C][O][=N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C] | c14cc(O)nc6n1.c15ccccc1.CCC4.S36.C35 |
CHEMBL1365302 | COc1ccc(CNS(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | S6(=O)(=O)c1ccc8c(C)c1.c14ccc7cc1.n18cnnn1.CO4.C57.N56 |
CHEMBL1365303 | Cc1cc(C)c2nc(SCC#N)cc(C)c2c1 | [C][C][=C][C][Branch1][C][C][=C][N][=C][Branch1][Branch1][S][C][C][#N][C][=C][Branch1][C][C][C][Ring1][O][=C][Ring1][S] | Cc1cc(C)c2nc4cc(C)c2c1.C3C#N.S34 |
CHEMBL1365304 | C=C(C)Cn1c(SCC(=O)O)nnc1-c1ccc(C(C)(C)C)cc1 | [C][=C][Branch1][C][C][C][N][C][Branch1][Branch2][S][C][C][=Branch1][C][=O][O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | n13c5nnc16.c16ccc4cc1.C=C(C)C3.C2C(=O)O.C4(C)(C)C.S25 |
CHEMBL4943364 | CC(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]2N(C)C)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@@H1][Ring1][Branch1][N][Branch1][C][C][C][=C][Ring1][P] | c16cccc7c1.C14CCCC15.CC6=O.C37=O.N5(C)C.N34 |
CHEMBL4943365 | CCN1C(=O)c2cc(C(=O)NCc3cccc(Br)c3)nn2C[C@@]1(C)C(=O)NC1CCCC1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][N][Ring1][S][C][C@@][Ring2][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | N1%10C(=O)c2cc9nn2CC18C.c1%11cccc(Br)c1.C17CCCC1.C49=O.C58=O.CC%10.N46.C6%11.N57 |
CHEMBL1365306 | COC(=O)Cn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C | [C][O][C][=Branch1][C][=O][C][N][C][Branch2][Ring1][Branch1][C][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=N][C][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n16c7nc2c1c(=O)n(C)c(=O)n2C.N15CCC8CC1.c19ccccc1.C4(=O)C6.CO4.C57.C89 |
CHEMBL1365430 | COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc1cc(OC)cc(OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][S][C][Branch1][C][Cl][=C][C][=Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c18cc2sc(Cl)cc2n19.c17cc5cc6c1.C9C4=O.C38=O.CO3.N47.O5C.O6C |
CHEMBL1365431 | CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1O | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][=Ring1][#C][O] | c15sc7nc1O.c17ccc6cc1.C6(F)(F)F.C35=O.CC4.O34 |
CHEMBL1365432 | Cc1ccc(CNS(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)o1 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][O][Ring2][Ring1][=N] | S5(=O)(=O)c1cc(F)ccc18.N16C(=O)c2cccnc2C1=O.Cc1ccc7o1.C47.N45.C68 |
CHEMBL4943446 | Cc1cc(C)c2ncn([C@H]3CCC(=O)N(C)C3)c(=O)c2c1 | [C][C][=C][C][Branch1][C][C][=C][N][=C][N][Branch1][#C][C@H1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c2ncn4c(=O)c2c1.C14CCC(=O)N(C)C1 |
CHEMBL4943447 | COCC[C@H]1CN(S(=O)(=O)CC2CCCC2)CCO1 | [C][O][C][C][C@H1][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][C][O][Ring1][#C] | C15CN4CCO1.S4(=O)(=O)C6.C16CCCC1.C3C5.CO3 |
CHEMBL1367264 | CCN(CCCNC(=O)C1CCC(=O)N1Cc1ccccc1Cl)c1cccc(C)c1 | [C][C][N][Branch2][Ring1][=N][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | C17CCC(=O)N18.c19ccccc1Cl.c16cccc(C)c1.C4CC5.N346.C27=O.CC3.N25.C89 |
CHEMBL1367265 | O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)OCc1ccc(Cl)cc1 | [O][=C][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Ring1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c16ccc(S5(=O)=O)s1.c17ccc(Cl)cc1.N15CCOCC1.O=C3C6.O34.C47 |
CHEMBL1367266 | CC(=O)NCN1CCN(CNC(C)=O)CC1 | [C][C][=Branch1][C][=O][N][C][N][C][C][N][Branch1][Branch2][C][N][C][Branch1][C][C][=O][C][C][Ring1][O] | N2CN1CCN(CN3)CC1.CC2=O.C3(C)=O |
CHEMBL1367267 | Cc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N] | N16CN5c2nc3ccccc3nc21.Cc1ccc(S6(=O)=O)cc1.c17ccco1.C57 |
CHEMBL4943523 | C[C@H](NC(=O)Nc1nc2ccccn2n1)C1CCOCC1 | [C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1] | c16nc2ccccn2n1.C17CCOCC1.CC57.C34=O.N35.N46 |
CHEMBL4943524 | CC1(C)[C@H]2CC=C(CCNC(=O)CCO)[C@@H]1C2 | [C][C][Branch1][C][C][C@H1][C][C][=C][Branch1][O][C][C][N][C][=Branch1][C][=O][C][C][O][C@@H1][Ring1][#C][C][Ring1][=C] | CC1(C)C2CC=C(CC4)C1C2.C3(=O)CCO.N34 |
CHEMBL1367268 | CCn1cnc2sc(C(=O)Oc3cccc(C)c3)c(C)c2c1=O | [C][C][N][C][=N][C][S][C][Branch1][P][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Branch1][C][C][C][=Ring1][S][C][Ring2][Ring1][Ring2][=O] | n17cnc2sc6c(C)c2c1=O.c15cccc(C)c1.C46=O.CC7.O45 |
CHEMBL1367396 | O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1ncc(C(F)(F)F)cc1Cl | [O][=C][Branch2][Ring1][O][C][O][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N][N][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] | c16ncc8cc1Cl.c19ccc(Cl)cc1.C179CCCC1.O=C4C5.C8(F)(F)F.C37=O.O35.N46 |
CHEMBL1367397 | CCc1ccc(-n2nc(C)c3c2NC(=O)CSC3c2ccccc2C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch2] | n15nc(C)c2c1NC(=O)CSC2c1ccccc1C.c14ccc5cc1.CC4 |
CHEMBL1367398 | CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1cc(C)ccc1OC | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][=N][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C] | c1%10nn%11c(=O)cc17.c19cc(C)ccc18.c1%11ccccc1.C6C4=O.C3%10=O.CC5.O35.O67.N49.O8C |
CHEMBL4943612 | Cn1cccc1CN[C@@H](CC(N)=O)C1CCCCC1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][C][C][C][C][Ring1][=Branch1] | Cn1cccc14.C35CC(N)=O.C15CCCCC1.C24.N23 |
CHEMBL4943613 | C=CCCS(=O)(=O)NC1(c2cccc(OC)c2)CC1 | [C][=C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][Ring1][O] | C=CCCS5(=O)=O.c16cccc3c1.C146CC1.N45.O3C |
CHEMBL4943614 | CCN(CC)C(=O)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)N(C(=O)C(C)(C)C)CC3)o1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][N][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring1][O][Ring2][Ri... | c17ccc2c(c1)C(c1ccccc1)N5CC2.c1%10ccc%11o1.C5(=O)C(C)(C)C.N489.C4%10=O.CC8.C9C.C6%11.O67 |
CHEMBL4943615 | O=C1CC[C@@H]2CN(Cc3c(F)cccc3F)CC[C@@H]2N1CC1CCCCC1 | [O][=C][C][C][C@@H1][C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][C@@H1][Ring1][#C][N][Ring2][Ring1][Ring1][C][C][C][C][C][C][C][Ring1][=Branch1] | O=C1CCC2CN4CCC2N15.c17c(F)cccc1F.C16CCCCC1.C47.C56 |
CHEMBL4943616 | CC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCCCCC3)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c18cc2c(s1)CCCCCC2.c16cccc7c1.CC4=O.C58=O.N46.N57 |
CHEMBL4943617 | CCc1nc(C(C)C)ccc1C(=O)N(C)Cc1cnccn1 | [C][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1] | c15nc6ccc14.c17cnccn1.C6(C)C.C24=O.N23C.CC5.C37 |
CHEMBL4943618 | OCCc1cn(C2CCN(c3cc(N4CCOCC4)ncn3)CC2)nn1 | [O][C][C][C][=C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=N][Ring1][N][C][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][#Branch1] | C18CCN5CC1.c15cc6ncn1.c17cn8nn1.N16CCOCC1.OCC7 |
CHEMBL4943619 | CCCCOc1cc(OCCC)ccc1C(=O)NC1CN(C(C)=O)C1 | [C][C][C][C][O][C][=C][C][Branch1][Branch1][O][C][C][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][#Branch1] | c16cc7ccc19.C18CN3C1.CCCC4.C5CC.C29=O.C3(C)=O.O46.O57.N28 |
CHEMBL4943620 | O=C(NCC1(Cn2cccn2)CC1)c1csc2nc(-c3ccccc3)cn12 | [O][=C][Branch2][Ring1][C][N][C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring1][=Branch2][C][=C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][=C][Ring1][O] | c16csc2nc%10cn12.c1%10ccccc1.n17cccn1.C189CC1.O=C46.N45.C58.C79 |
CHEMBL4943621 | CCC(CC)C(=O)N1CC[C@H](N(CCN2CCOCC2)S(C)(=O)=O)C1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][=Branch1][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring2][Ring1][C] | CCC(CC)C3=O.N13CCC7C1.N15CCOCC1.S6(C)(=O)=O.N467.C4C5 |
CHEMBL4943622 | Fc1ccc(-c2cnc3n2C[C@H](CNCc2cccs2)OC3)cc1 | [F][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][N][=C][N][Ring1][Branch1][C][C@H1][Branch1][O][C][N][C][C][=C][C][=C][S][Ring1][Branch1][O][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c18cnc2n1CC6OC2.Fc1ccc8cc1.c17cccs1.C46.N45.C57 |
CHEMBL4943623 | O=C(O)c1c2c(nc3ccc(S(=O)(=O)N4CCC(C(=O)N[C@H]5CCCc6ccccc65)CC4)cc13)CCCC2 | [O][=C][Branch1][C][O][C][=C][C][=Branch2][Branch1][#Branch1][=N][C][=C][C][=C][Branch2][Ring2][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][S... | c1%10c2c(nc3ccc(S8(=O)=O)cc13)CCCC2.N7C1CCCc2ccccc21.N18CCC9CC1.O=C%10O.C79=O |
CHEMBL1369416 | O=C(CSc1ccc(-c2cccs2)nn1)Nc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=N][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc7nn1.c15ccccc1.c17cccs1.O=C3C4.S46.N35 |
CHEMBL1369417 | Cc1ccc(-n2c(S)nnc2-c2ccc(Cl)cc2Cl)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][Branch1][C][S][=N][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][Ring2] | c14ccc(Cl)cc1Cl.Cc1ccc3cc1.n13c4nnc1S |
CHEMBL1369418 | Cc1cnc(C(=O)N2CCCC(C(=O)c3cccc(OC(C)C)c3)C2)cn1 | [C][C][=C][N][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch2] | Cc1cnc7cn1.N14CCCC8C1.c19cccc6c1.C47=O.C89=O.C5(C)C.O56 |
CHEMBL1369419 | COc1ccc(C)cc1NC(=O)NC(C)c1c(-n2cccc2)sc(C)c1C | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][S][C][Branch1][C][C][=C][Ring1][O][C] | c15ccc(C)cc17.c18c9sc(C)c1C.n19cccc1.C34=O.C68C.CO5.N37.N46 |
CHEMBL1369420 | Cc1ccc(-n2cc(-c3ccccc3)nc2O)cc1F | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][O][C][=C][Ring2][Ring1][C][F] | Cc1ccc4cc1F.n14cc5nc1O.c15ccccc1 |
CHEMBL4943691 | CC1CC(c2ccccc2)CN1CCCn1ccnc1 | [C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][O][C][C][C][N][C][=C][N][=C][Ring1][Branch1] | CC1CC5CN13.c15ccccc1.n14ccnc1.C3CC4 |
CHEMBL4943692 | CNS(=O)(=O)c1cc(C(=O)N2CCc3ccc(C)cc32)c(C)o1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][#Branch2][=C][Branch1][C][C][O][Ring2][Ring1][C] | S5(=O)(=O)c1cc6c(C)o1.N14CCc2ccc(C)cc21.C46=O.CN5 |
CHEMBL4943693 | CCC(C)N1C(=O)CC(C(=O)O)C1c1cnn(-c2ccccc2)c1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O] | N14C(=O)CC3C16.c16cnn5c1.c15ccccc1.CCC4C.C3(=O)O |
CHEMBL4943694 | Cc1ccc(N2CCN(Cc3nc(C(=O)Nc4ccc(F)cc4)co3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][C][N][Branch2][Ring1][O][C][C][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][O][Ring1][#C][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] | Cc1ccc7cc1.N17CCN6CC1.c18ccc(F)cc1.c1%10nc9co1.C59=O.C6%10.N58 |
CHEMBL4943695 | O=C(c1ccccc1Cl)N1Cc2cnc(N3CCOCC3)nc2C1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N][C][Ring1][#C] | N14Cc2cnc5nc2C1.c16ccccc1Cl.N15CCOCC1.O=C46 |
CHEMBL1369422 | Cc1cc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)ccc1Cl | [C][C][=C][C][Branch2][Ring2][C][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][=C][Ring1][#C][C][=C][C][=C][Ring2][Ring1][O][Cl] | c19nn2c(C)nnc2s1.Cc1cc7ccc1Cl.c18cc9ccc1C.C6C5=O.O67.N58 |
CHEMBL1372071 | COc1ccc(C2=C(CN(C)C)C(c3ccccc3)c3ccccc3O2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] | c14ccc(C2=C(C5)C(c3ccccc3)c3ccccc3O2)cc1.N5(C)C.CO4 |
CHEMBL4943743 | COc1ccc2c(c1)CCN2C(=O)C1CCCC(C(=O)O)C1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2] | c14ccc2c(c1)CCN23.C15CCCC6C1.C35=O.C6(=O)O.CO4 |
CHEMBL4943744 | Cc1cc2cc(CNC(=O)CCC3CCCC3)ccc2n1C | [C][C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][P][N][Ring2][Ring1][Ring2][C] | Cc1cc2cc7ccc2n1C.C4(=O)CC6.C16CCCC1.C57.N45 |
CHEMBL4943745 | O=C1CNC(=O)N1[C@H]1CCN(S(=O)(=O)CCc2ccccc2)C1 | [O][=C][C][N][C][=Branch1][C][=O][N][Ring1][=Branch1][C@H1][C][C][N][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S] | O=C1CNC(=O)N15.C15CCN3C1.S3(=O)(=O)CC4.c14ccccc1 |
CHEMBL4943746 | Cc1cnc(N2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)nc1N(C)C | [C][C][=C][N][=C][Branch2][Ring1][N][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Ring1][O][C][N][=C][Ring2][Ring1][Branch1][N][Branch1][C][C][C] | N14CCC2(CC1)C6CC(=O)N2C.Cc1cnc4nc15.C6(=O)O.N5(C)C |
CHEMBL4943747 | COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCC(C(N)=O)CC3)=C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch2][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2] | c15cccc(C2=NS(=O)(=O)N(C)C(C4=O)=C2)c1.N14CCC6CC1.C6(N)=O.CO5 |
CHEMBL1372072 | COc1ccccc1C1CC(c2ccc(Br)cc2)=NN1C(=O)c1cccnc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | C15CC(c2ccc(Br)cc2)=NN1C4=O.c13ccccc15.c14cccnc1.CO3 |
CHEMBL1372073 | Cc1nn(-c2ccccc2)c2c1cc1c(=O)[nH]c(=O)nc-1n2-c1cccc(C(F)(F)F)c1 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][=C][Ring1][Branch2][N][Ring1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | Cc1nn4c2c1cc1c(=O)[nH]c(=O)nc-1n25.c15cccc3c1.c14ccccc1.C3(F)(F)F |
CHEMBL4943843 | CCc1ccc([C@@H](C)C(=O)Nc2nccc(=O)n2C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring1] | c14nccc(=O)n1C.c15ccc6cc1.C6(C)C3=O.CC5.N34 |
CHEMBL4943844 | Cc1cc(NC(=O)[C@H]2CCC2(C)C)ncn1 | [C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C@H1][C][C][C][Ring1][Ring2][Branch1][C][C][C][=N][C][=N][Ring1][#C] | Cc1cc4ncn1.C15CCC1(C)C.C35=O.N34 |
CHEMBL4943846 | Cc1nccc(CNC(=O)C(C)(C)Oc2cccc(Cl)c2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | Cc1nccc7n1.c15cccc(Cl)c1.C3(=O)C4(C)C.C67.N36.O45 |
CHEMBL4943847 | CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CC[C@H](c2cc(OC)ccc2OC)C1 | [C][C][C][=C][C][=C][Branch1][O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C@H1][Branch1][#C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][Ring1][#C] | c16ccc7cc1S5(=O)=O.c18cc3ccc14.c17cc(C)no1.N15CCC8C1.CC6.O3C.O4C |
CHEMBL1372075 | COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)cc1S(N)(=O)=O | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch2][S][Branch1][C][N][=Branch1][C][=O][=O] | c15ccc7cc1S(N)(=O)=O.c18ccc(S6(=O)=O)cc1.N16CC(C)CC(C)C1.C48=O.CO5.N47 |
CHEMBL1372076 | Fc1ccc(Br)cc1C1C=C(c2ccc(Br)s2)Nc2ncnn21 | [F][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][=C][Branch1][O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][#C] | Fc1ccc(Br)cc1C1C=C(c2ccc(Br)s2)Nc2ncnn21 |
CHEMBL1365312 | CCOC(=O)C1CCN(c2c(NC3CCCc4ccccc43)c(=O)c2=O)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][N][C][=C][Branch1][S][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][S][=O][C][C][Ring2][Ring1][#Branch1] | N8C1CCCc2ccccc21.C19CCN7CC1.c17c8c(=O)c1=O.C59=O.CC6.O56 |
CHEMBL4943922 | CN(CC(F)(F)F)C(=O)CNc1ncnc2ccc(F)cc12 | [C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][N][C][=N][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][#Branch1] | c16ncnc2ccc(F)cc12.C4C(F)(F)F.C3(=O)C5.CN34.N56 |
CHEMBL4943923 | COc1ccc2ccc(O)c(CN3CCCc4cc(S(=O)(=O)N5CCCC5)ccc43)c2c1 | [C][O][C][=C][C][=C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][P][C][N][C][C][C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C] | N17CCCc2cc(S8(=O)=O)ccc21.c16ccc2ccc(O)c9c2c1.N18CCCC1.CO6.C79 |
CHEMBL4943924 | CC(=O)NCCc1csc(C2CCN(C(=O)NCc3cccc(F)c3)CC2)n1 | [C][C][=Branch1][C][=O][N][C][C][C][=C][S][C][Branch2][Ring1][=N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][P][=N][Ring2][Ring1][=Branch1] | C1%11CCN5CC1.c1%10cccc(F)c1.c19csc%11n1.CC4=O.C7C9.C56=O.N47.N68.C8%10 |
CHEMBL4943925 | CCN1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2)CC1=O | [C][C][N][C][C@@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1][=O] | N17CC6CC1=O.c18ccccc1.c15ccccc1.C36=O.N345.CC7.C48 |
CHEMBL4943926 | COc1ccccc1NC(=O)N[C@H](C)C(=O)OC(C)C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | c16ccccc18.C7(C)C2=O.C34=O.C5(C)C.CO6.N38.N47.O25 |
CHEMBL4943927 | C[C@H](NCc1ccon1)c1ccccc1N(C)C | [C][C@H1][Branch1][#Branch2][N][C][C][C][=C][O][N][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C] | c16ccccc14.c15ccon1.CC26.N4(C)C.N23.C35 |
CHEMBL1365314 | CN(C)CCCNC(=O)c1ccccc1Oc1ccccc1 | [C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc13.c14ccccc1.C5CC6.CN5C.C27=O.N26.O34 |
CHEMBL1365438 | C=CCn1cc(C(=O)N2CCc3ccccc3C2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 | [C][=C][C][N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring1][=C][Ring2][Ring1][#C] | n19cc8c(=O)c2cc(S7(=O)=O)ccc21.N14CCc2ccccc2C1.C=CC9.C48=O.N567.C5C.C6C |
CHEMBL1365439 | Cc1ccc2nc(NC(=O)CN3CCOCC3)sc2c1 | [C][C][=C][C][=C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Cc1ccc2nc6sc2c1.N15CCOCC1.C4(=O)C5.N46 |
CHEMBL1365440 | O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1ccccc1Cl | [O][=C][Branch2][Ring1][=N][O][C][C][=C][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][C][Ring1][O][=N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c17cc(=O)n2nc8sc2n1.c16ccccc1Cl.C18CCCCC1.O=C46.O45.C57 |
CHEMBL1365441 | CC(C)C(=O)N(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C] | S5(=O)(=O)c1ccc2c(c1)oc(=O)n2C.c16ccccc1.CC(C)C3=O.N345.C46 |
CHEMBL1367147 | COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4C3[C@]23N=C(c2ccccc2)OC3=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C@H1][C@H1][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C@][Ring2][Ring1][Ring1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O][C][=C][Ring2][Ri... | C18C7N2N=Cc3ccccc3C2C12N=C(c1ccccc1)OC2=O.c15ccc8cc16.C7(=O)C(C)(C)C.CO5.O6C |
CHEMBL1367269 | O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NNC(=O)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][=Branch2][C][C][C][N][C][=Branch1][C][=O][/C][=Branch1][=Branch2][=C][/C][=C][C][=C][S][Ring1][Branch1][S][C][Ring1][N][=S][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=C(CCC5)NNC3=O.N15C(=O)C=4SC1=S.c13ccc(F)cc1.C=4c1cccs1 |
CHEMBL1367270 | CCOc1ccc(C(=O)NC(=S)NCCCN2CCOCC2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.N17CCOCC1.N3C(=S)N6.C6CC7.C38=O.CC4.O45 |
CHEMBL4943945 | CCc1nn(C)cc1NC(=O)N[C@@H](C)c1nccs1 | [C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1] | c16nn(C)cc15.c17nccs1.C23=O.C47C.CC6.N25.N34 |
CHEMBL4943946 | CCCCn1nnnc1CN1C(=O)NC2(CCC(C)CC2)C1=O | [C][C][C][C][N][N][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][O][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][N][=O] | N14C(=O)NC2(CCC(C)CC2)C1=O.n13nnnc15.CCCC3.C45 |
CHEMBL4943947 | C=CCC[C@H](O)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 | [C][=C][C][C][C@H1][Branch1][C][O][C][N][Branch2][Ring2][Ring2][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][C][Ring1][Ring1] | c1%10c8nn%11c13.C=CCCC(O)C5.c14ccccc1F.c1%11ccccc1.N567.C8(C)C.C19CC1.C6%10.O34.C79 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.