ID large_stringlengths 7 13 | smiles stringlengths 1 288 | selfies stringlengths 3 1.14k | safe stringlengths 1 292 |
|---|---|---|---|
CHEMBL4945243 | CC[C@@H](CO)N(Cc1ccsc1)C(=O)c1cncc(C)c1 | [C][C][C@@H1][Branch1][Ring1][C][O][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c15cncc(C)c1.CCC3CO.c16ccsc1.N234.C25=O.C46 |
CHEMBL4945244 | CC(C)(C)C(=O)Nc1cnc2ccnn2c1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2] | c14cnc2ccnn2c1.CC(C)(C)C3=O.N34 |
CHEMBL4945245 | CC(C)/C=C/CN(C)CC1(CO)CCOCC1 | [C][C][Branch1][C][C][/C][=C][/C][N][Branch1][C][C][C][C][Branch1][Ring1][C][O][C][C][O][C][C][Ring1][Branch2] | C156CCOCC1.CC(C)C=4.C=4C2.N23C.C35.C6O |
CHEMBL4945246 | COc1ccc(-c2cc3cc(OC)c(OC)cc3c(Cc3cccc4ccccc34)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] | c1%10cc2cc6c7cc2c8n1.c19cccc2ccccc12.c15ccc%10cc1.CO5.O6C.O7C.C89 |
CHEMBL4945247 | COc1cccc([C@H]2OCCn3c(-c4ccc(Cl)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)c1O | [C][O][C][=C][C][=C][C][Branch2][Ring2][#C][C@H1][O][C][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C][O] | c15cccc(C2OCCn3c6c4c(=O)n(C)c(=O)n(C)c4c32)c1O.c16ccc(Cl)cc1.CO5 |
CHEMBL4945248 | CCC1(C)OC(=O)N(CCC(=O)Nc2ccccc2C(F)(F)F)C1(C)O | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][=Branch1][Branch1][C][C][O] | C16(C)OC(=O)N5C1(C)O.c14ccccc17.C5CC3=O.C7(F)(F)F.CC6.N34 |
CHEMBL4945249 | Cc1cc(C)cc(/N=C(/NC(=O)c2cccc(C)c2)N2CCN(Cc3cccc(F)c3)CC2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][O][/N][=C][Branch1][P][/N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][P] | Cc1cc(C)cc(N=C(N4)N2CCN5CC2)c1.c16cccc(C)c1.c17cccc(F)c1.C46=O.C57 |
CHEMBL1370036 | Cc1ccc(CNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)o1 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][O][Ring2][Ring1][=N] | c16cn8c(=O)c2c1c1ccccc1n2C.Cc1ccc7o1.C18CCCC1.C46=O.C57.N45 |
CHEMBL1370037 | Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring2][Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C][N][=Ring2][Ring1][#C] | c17nc2ccccc2nc15.Cc1cc(C)n7n1.N15CCN4CC1.c16ccc(Cl)cc1.C46=O |
CHEMBL1370039 | Cc1ccccc1N=C(NOCc1ccccc1)c1nonc1N | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][N][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][N][=C][Ring1][Branch1][N] | Cc1ccccc1N=C(NO2)c1nonc1N.c13ccccc1.C23 |
CHEMBL4945264 | C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1 | [C][C@@H1][C][C@H1][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P] | CC1CC(N3)c2ccccc2N1.c13ccccc1 |
CHEMBL4945265 | CCC(O)C1CCCCN1S(C)(=O)=O | [C][C][C][Branch1][C][O][C][C][C][C][C][N][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | C13CCCCN12.CCC3O.S2(C)(=O)=O |
CHEMBL4945266 | O=C(NC1CCCCCC1)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 | [O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=C][Ring1][P] | c16ccc2cnn7c2c1.C15CCCCCC1.c18ccc(F)cc1.O=C46.N45.C78 |
CHEMBL4945267 | CC(C)CCN1C[C@]23C=C[C@H](O2)C(C(=O)N2CCc4n[nH]cc4C2)C3C1=O | [C][C][Branch1][C][C][C][C][N][C][C@][C][=C][C@H1][Branch1][Ring2][O][Ring1][Branch1][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1][=O] | N17CC23C=CC(O2)C6C3C1=O.N15CCc2n[nH]cc2C1.CC(C)CC7.C56=O |
CHEMBL4945268 | CN(CC1(CO)CCOCC1)C(=O)Nc1cccc(-c2cnc[nH]2)c1 | [C][N][Branch1][=C][C][C][Branch1][Ring1][C][O][C][C][O][C][C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=C][N][=C][NH1][Ring1][Branch1][=C][Ring1][O] | C178CCOCC1.c16cccc9c1.c19cnc[nH]1.CN35.C34=O.C57.C8O.N46 |
CHEMBL4945269 | CCOc1ccc(-c2nc(CN[C@H]3CCOC34CCCC4)co2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][N][C@H1][C][C][O][C][Ring1][Branch1][C][C][C][C][Ring1][Branch1][=C][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | C18CCOC12CCCC2.c16ccc%10cc1.c1%10nc9co1.CC5.O56.C79.N78 |
CHEMBL4945270 | CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C(C)C)cc1)CC2 | [C][O][C@H1][C][C@@H1][Branch1][C][O][C][Ring1][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][Ring1][P] | C14CC(O)C12CCN3CC2.c15ccc6cc1.C35=O.C6(C)C.CO4 |
CHEMBL4945271 | O=C(Nc1nnc[nH]1)c1ccc2c(c1)CCCC2 | [O][=C][Branch1][=Branch2][N][C][=N][N][=C][NH1][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1] | c15ccc2c(c1)CCCC2.c14nnc[nH]1.O=C35.N34 |
CHEMBL1370040 | Cn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccccc3)nnc12 | [C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][Branch1][P][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring2][Ring1][=Branch2][Ring1][P] | Cn1c(=O)c2sccc2n2c6nnc12.c17ccccc1.C6CC4=O.N45.C57 |
CHEMBL1370041 | COc1cccc(CC(=O)OC(C)C(=O)Nc2ncc(Cl)cc2Cl)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][#Branch1] | c17ncc(Cl)cc1Cl.c16cccc8c1.C5(C)C4=O.C8C3=O.CO6.O35.N47 |
CHEMBL1371771 | COc1ccc(OC)c(NC2=NCCS2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch2][N][C][=N][C][C][S][Ring1][Branch1][=C][Ring1][=C] | c13ccc4c5c1.N5C1=NCCS1.CO3.O4C |
CHEMBL1371772 | CCOC(=O)CSc1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | c19nc7c2ccccc2n1.c18ccc2c(c1)OCO2.C4(=O)C6.CC5.O45.S69.N78 |
CHEMBL4941727 | O=S(=O)(CCN1CCc2cncnc2C1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][P][C][C][N][C][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S(=O)(CC3)c1ccccc1.N13CCc2cncnc2C1 |
CHEMBL4941728 | CC(C)=CCN1CCC[C@@](O)(CNC(=O)Cc2ccccc2)CC1 | [C][C][Branch1][C][C][=C][C][N][C][C][C][C@@][Branch1][C][O][Branch1][S][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | N14CCCC7(O)CC1.c18ccccc1.C3(=O)C8.CC=6C.C=6C4.C57.N35 |
CHEMBL4941729 | CC(=O)N(CCN1CCCCC1)[C@H]1CCCN(C(=O)CC2CCCC2)C1 | [C][C][=Branch1][C][=O][N][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C@H1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][=C] | C17CCCN4C1.N16CCCCC1.C18CCCC1.C4(=O)C8.CC3=O.N357.C5C6 |
CHEMBL1371774 | COc1ccc(-c2cc(C(F)(F)F)nc(S(C)(=O)=O)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c16cc5nc(S(C)(=O)=O)n1.c13ccc6cc14.C5(F)(F)F.CO3.O4C |
CHEMBL1371777 | Clc1ccccc1CSc1nnc(-c2ccco2)c(-c2ccco2)n1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][S] | c15nnc6c7n1.Clc1ccccc14.c16ccco1.c17ccco1.C34.S35 |
CHEMBL1371778 | Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | S5(=O)(=O)c1ccc7cc1.Cc1ccc6c(C)c1.C48=O.C18CC1.N56.N47 |
CHEMBL4941806 | Cc1cccc(C(=O)N2CCCS2(=O)=O)n1 | [C][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][=N][Ring1][#C] | Cc1cccc4n1.N13CCCS1(=O)=O.C34=O |
CHEMBL4941807 | Cc1ccc(N(C)C(C)C)c(C(=O)O)c1 | [C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=C] | Cc1ccc3c4c1.N23C.C2(C)C.C4(=O)O |
CHEMBL4941808 | O=C(NCc1cccnc1)c1nc(-c2nc(C3CC3)no2)cs1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][=C][S][Ring1][=N] | c17cccnc1.c16nc8cs1.c18nc9no1.O=C46.C19CC1.N45.C57 |
CHEMBL4941809 | CN1CC[C@@H]2CN(C(=O)NCCc3ccccc3)C[C@@H]21 | [C][N][C][C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][S][Ring2][Ring1][Ring1] | CN1CCC2CN4CC21.c17ccccc1.C45=O.C6C7.N56 |
CHEMBL4941810 | Cc1nn(-c2ncnc3[nH]cnc23)c2c1[C@H](C(C)(C)C)CC(=O)N2 | [C][C][=N][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][=C][C@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][O] | Cc1nn4c2c1C(C(C)(C)C)CC(=O)N2.c14ncnc2[nH]cnc12 |
CHEMBL1365847 | CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2nc1O | [C][C][O][C][=Branch1][C][=O][C][N][N][=N][N][=C][Ring1][Branch1][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][O] | c14cc2cc(C)ccc2nc1O.c1%12ccc6cc1.n1%10nnnc1%11.C3(=O)C%10.N789.CC5.O35.C7%11.C8%12.O6C.C94 |
CHEMBL1365848 | CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccc(N)cc1 | [C][C][N][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=N][N][=C][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1] | n18c9nnc1%10.c16ccccc17.c1%10ccc(N)cc1.C5C4=O.C37=O.CC8.S59.N46.O3C |
CHEMBL1365849 | Nn1c(SCC(=O)NCc2ccccc2)nncc1=O | [N][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][C][Ring2][Ring1][C][=O] | Nn1c7nncc1=O.c16ccccc1.C5C3=O.S57.N34.C46 |
CHEMBL4941878 | Cc1ccc(CCC(=O)N2CC[C@H](O)C23CCCC3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][O][C][Ring1][=Branch1][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | N14CCC(O)C12CCCC2.Cc1ccc5cc1.C5CC4=O |
CHEMBL4941879 | Cc1cccc(Cn2ncc(C)c2NC(=O)NCCc2cc(O)nc(C)n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][C][C][N][N][=C][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][O][=N][C][Branch1][C][C][=N][Ring1][Branch2][=C][Ring2][Ring1][O] | c18cc(O)nc(C)n1.Cc1cccc9c1.n17ncc(C)c16.C34=O.C5C8.C79.N36.N45 |
CHEMBL4941880 | CNC(=O)CN(C)C(=O)c1csc(NC(C)=O)n1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][Ring1][=Branch2] | c17csc6n1.C2(=O)C5.N35C.C37=O.C4(C)=O.CN2.N46 |
CHEMBL1365851 | CC(=O)N1CCSc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc21 | [C][C][=Branch1][C][=O][N][C][C][S][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P][Ring2][Ring1][Branch1] | N14CCSc2ccc(S5(=O)=O)cc21.c16ccc(C)cc1.CC4=O.N56 |
CHEMBL1365852 | COc1cc2c(cc1OC)CN(CC(=O)Nc1ccccc1SC)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][P][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][Ring2][Ring1][=Branch1] | c14cc2c(cc15)CN6CC2.c17ccccc18.C6C3=O.CO4.O5C.N37.S8C |
CHEMBL1365853 | Cc1cc(NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)no1 | [C][C][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][Ring1][S][=O][=N][O][Ring2][Ring1][#Branch2] | n17cnc2sc(C)c8c2c1=O.Cc1cc6no1.c18ccccc1.C5(=O)C7.N56 |
CHEMBL4941947 | Cc1occc1C(=O)NC[C@H]1Cc2ccccc2O1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | C16Cc2ccccc2O1.Cc1occc15.C35=O.N34.C46 |
CHEMBL4941948 | Cc1ccc(NC(=O)NCCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C | [C][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][O][C] | S7(=O)(=O)c1ccccc1.Cc1ccc8cc1C.C19CCN7CC1.C45=O.C6C9.N48.N56 |
CHEMBL4941949 | Cc1ccc(C(=O)N2CCC[C@@H]2COc2ccc(C(=O)N3CCOCC3)cc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][=C] | Cc1ccc8c(C)c1.c17ccc9cc1.N14CCCC1%10.N15CCOCC1.C48=O.C59=O.C6%10.O67 |
CHEMBL4941950 | Cc1nsc2c1[C@@H](c1ccc3cccc(O)c3n1)CC(=O)N2 | [C][C][=N][S][C][=C][Ring1][Branch1][C@@H1][Branch2][Ring1][C][C][=C][C][=C][C][=C][C][=C][Branch1][C][O][C][Ring1][#Branch1][=N][Ring1][O][C][C][=Branch1][C][=O][N][Ring2][Ring1][C] | Cc1nsc2c1C(c1ccc3cccc(O)c3n1)CC(=O)N2 |
CHEMBL4941952 | CC(C)(CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)Oc1ccccc1 | [C][C][Branch1][C][C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C@@H1][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][O][Ring1][S][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S7(=O)(=O)c1ccccc1Cl.C18CN7CCO1.c15ccccc1.CC4(C)C6.C38=O.N36.O45 |
CHEMBL4941953 | Cc1ncsc1CNc1ccc2nc(N(C)C)oc2c1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][N][C][=C][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][O][C][Ring1][Branch2][=C][Ring1][N] | c15ccc2nc4oc2c1.Cc1ncsc16.N4(C)C.C36.N35 |
CHEMBL1367684 | C=CCn1c(S)nnc1C(CC(C)C)CC(C)O | [C][=C][C][N][C][Branch1][C][S][=N][N][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][O] | C3(CC(C)C)CC(C)O.n12c3nnc1S.C=CC2 |
CHEMBL1367685 | COc1ccc(S(=O)(=O)N2CC3CCCN3c3cc(C(F)(F)F)ccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][N][Ring1][Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Ring1][P][C][=C][Ring2][Ring1][#Branch2] | N15CC2CCCN2c2cc6ccc21.c14ccc(S5(=O)=O)cc1.C6(F)(F)F.CO4 |
CHEMBL1367686 | COc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=S][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c14ccc6c5c1.C=7c1ccco1.N6C(=S)N3.C3(=O)C=7.CO4.O5C |
CHEMBL1367687 | COc1cc(-c2nc3ncccn3c2Nc2ccc(C)cc2C)ccc1O | [C][O][C][=C][C][Branch2][Ring1][O][C][N][=C][N][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Branch2][O] | c17nc2ncccn2c15.c14cc7ccc1O.c16ccc(C)cc1C.CO4.N56 |
CHEMBL4942011 | CC(C)CCC[C@H]1CN(Cc2c[nH]cn2)CCO1 | [C][C][Branch1][C][C][C][C][C][C@H1][C][N][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][C][O][Ring1][N] | C14CN3CCO1.CC(C)CCC4.c15c[nH]cn1.C35 |
CHEMBL4942012 | COc1ncccc1[C@H]1CC(=O)NCc2nc(N3CCCC3)sc21 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][=Branch1][C][=O][N][C][C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][S][C][=Ring1][#Branch2][Ring1][S] | c14ncccc1C1CC(=O)NCc2nc5sc21.N15CCCC1.CO4 |
CHEMBL4942013 | CCc1nc(CN2CCOCC2)n(-c2ccc(C(F)(F)F)cc2)n1 | [C][C][C][N][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=Ring2][Ring1][=Branch1] | c14nc5n7n1.c17ccc6cc1.N13CCOCC1.C6(F)(F)F.CC4.C35 |
CHEMBL4942014 | NC(=O)c1csc(N2CCC(CO)(C[C@H]3CCCCO3)CC2)n1 | [N][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][Ring1][C][O][Branch1][#Branch2][C][C@H1][C][C][C][C][O][Ring1][=Branch1][C][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | N14CCC78CC1.c15csc4n1.C16CCCCO1.NC5=O.C7O.C68 |
CHEMBL4942015 | CCC(CC)n1nc(C(=O)N2CC[C@H]2c2ccccc2F)cc1C | [C][C][C][Branch1][Ring1][C][C][N][N][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C@H1][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][C][C] | n15nc4cc1C.c16ccccc1F.CCC5CC.N13CCC16.C34=O |
CHEMBL4942016 | O=C(Nc1cccc(F)c1)N1CC2C3CCC(C3)C21 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][Ring1][=Branch2] | N15CC2C3CCC(C3)C21.c16cccc(F)c1.O=C45.N46 |
CHEMBL4942017 | COc1cccc(C(=O)N2CCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)s3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][S][Ring1][O][C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N] | c19ccc(S8(=O)=O)s1.c17cccc%10c1.N14CCN5CC1.C4%10=O.C56=O.N8(C)C.CO7.N69 |
CHEMBL1367689 | COc1ccc(C(NC(=O)/C=C/c2ccco2)c2ccc(OC)c(OC)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][Branch1][#C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][O][O][C] | c14ccc%10cc17.c1%11ccc5c6c1.C=9c1ccco1.C3(=O)C=9.C8%10%11.CO4.N38.O5C.O6C.O7C |
CHEMBL1367690 | C=CCn1c(=O)c2c(C)c(C)sc2n2c(Nc3ccccc3)nnc12 | [C][=C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][Branch1][C][C][S][C][=Ring1][#Branch1][N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring2][Ring1][=Branch1][Ring1][N] | n16c(=O)c2c(C)c(C)sc2n2c4nnc12.c15ccccc1.C=CC6.N45 |
CHEMBL1369613 | COC(=O)c1cccc(-n2sc3ccccc3c2=O)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][=C][Ring1][S] | n16sc2ccccc2c1=O.c15cccc6c1.C45=O.CO4 |
CHEMBL4942071 | O=C(Cc1ccc(O)cc1)N1CCC(n2ccnn2)CC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][O] | c14ccc(O)cc1.N13CCC5CC1.n15ccnn1.O=C3C4 |
CHEMBL4942072 | CC[C@@H](C(=O)NCCc1ccccn1)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 | [C][C][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring2][Ring1][Ring1] | n15c7nc2cc(C)c(C)cc21.c18ccccc1Cl.CCC5C3=O.c16ccccn1.C4C6.N34.C78 |
CHEMBL4942073 | Cc1noc(C)c1CNC(=O)N1CC(C)OC(c2ccsc2)C1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][N] | N14CC7OC(C)C1.Cc1noc(C)c16.c17ccsc1.C34=O.C56.N35 |
CHEMBL4942074 | CCC1(CC)CN(C(=O)NC2Cc3ccccc3C2)C1 | [C][C][C][Branch1][Ring1][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring2][Ring1][C] | C16Cc2ccccc2C1.C178CN4C1.C45=O.CC7.C8C.N56 |
CHEMBL4942075 | COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1cccnc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][=Branch1][C][N][Ring1][Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | N16C(=O)C2CC1CN24.c13ccc(Cl)cc16.c15cccnc1.CO3.C45 |
CHEMBL1369614 | c1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 | [C][=C][C][=C][Branch2][Ring1][#C][C][C][=N][N][C][Branch1][#C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][N][=C][Ring1][#C][S][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2] | c17nn2c8nnc2s1.n16nnc2ccccc21.c1ccc9cc1.C79.C68 |
CHEMBL1369615 | CCn1c(SCC(=O)N2CCC(C)CC2)nc2c(c1=O)SC(C)C2 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][Branch1][Branch1][C][Ring1][P][=O][S][C][Branch1][C][C][C][Ring1][Branch2] | n15c6nc2c(c1=O)SC(C)C2.N13CCC(C)CC1.C4C3=O.CC5.S46 |
CHEMBL4942139 | CCc1noc(CC)c1CNC(=O)c1nccn1CC | [C][C][C][=N][O][C][Branch1][Ring1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=N][C][=C][N][Ring1][Branch1][C][C] | c16noc7c18.c14nccn15.C24=O.CC6.C7C.C38.N23.C5C |
CHEMBL4942140 | Nc1cc(CN2CCCC2CC(O)c2ccc(F)cc2)ccn1 | [N][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=N][Ring2][Ring1][=Branch1] | Nc1cc5ccn1.c16ccc(F)cc1.N13CCCC14.C4C6O.C35 |
CHEMBL4942141 | COc1cc(C)sc1C(=O)NCc1cc2n(n1)CCNC2 | [C][O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][N][C][Ring1][#Branch1] | c17cc2n(n1)CCNC2.c14cc(C)sc16.C36=O.CO4.N35.C57 |
CHEMBL4942142 | CC12CCC(C(=O)Nc3cccc4ncccc34)(C(=O)C1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][Branch1][#Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=O][C][Ring2][Ring1][=Branch1][Branch1][C][C][C] | CC12CCC7(C(=O)C1=O)C2(C)C.c16cccc2ncccc12.C57=O.N56 |
CHEMBL4942143 | CC(=O)N(CCCN1CCOCC1)[C@H]1CCN(C(=O)COc2cccc(C)c2)C1 | [C][C][=Branch1][C][=O][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][S] | c16cccc(C)c1.N18CCOCC1.C19CCN4C1.C7CC8.C4(=O)C5.CC3=O.N379.O56 |
CHEMBL4942144 | CN(C)C(=O)N1CCc2[nH]nc(-c3cccc4c3OC(F)(F)O4)c2C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][NH1][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][O][Ring1][#Branch1][C][=Ring1][S][C][Ring2][Ring1][Ring2] | c17cccc2c1OC(F)(F)O2.N16CCc2[nH]nc7c2C1.CN5C.C56=O |
CHEMBL4942145 | Cc1ncsc1C(=O)NS(=O)(=O)c1c(C)nn(C)c1C | [C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C] | S3(=O)(=O)c1c(C)nn(C)c1C.Cc1ncsc14.C24=O.N23 |
CHEMBL1369742 | Cc1cc2ccccn2c1C(=S)NC(=O)c1ccccc1 | [C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc2ccccn2c1C(=S)N3.c14ccccc1.C34=O |
CHEMBL1369743 | CCCCCCN1C(=O)/C(=C/Nc2ccccc2N2CCOCC2)C(=O)NC1=S | [C][C][C][C][C][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][Ring1][=C][/N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring2][Ring1][=Branch1][=S] | N15C(=O)C(=CN3)C(=O)NC1=S.c13ccccc14.CCCCCC5.N14CCOCC1 |
CHEMBL1369744 | CC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch2][Ring1][O][C][=N][N][=N][N][Ring1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][C][Ring2][Ring1][Branch2] | C17%10CCCCC1.c18ccc(Cl)cc1.c1%10nnnn19.CC4=O.N47C.C9C6.C35=O.O36.N58 |
CHEMBL1371639 | Cc1ccccc1OCCn1cc(C=O)c2ccccc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=C][Branch1][Ring1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | n15cc(C=O)c2ccccc21.Cc1ccccc14.C3C5.O34 |
CHEMBL4942212 | O=C(N1CCCC1)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][C][C@@H1][C@@][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][O][C][C][C][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][Ring1][#C] | N14CC2C5(CCCS2(=O)=O)C1.N13CCCC1.C5(F)(F)F.O=C34 |
CHEMBL1371640 | COc1cccc(C2(c3cccc(OC)c3)CC2C(=O)Nc2cccc3ccccc23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][=C] | c17cccc2ccccc12.c15cccc9c1.c1%10cccc6c1.C19%10CC18.C48=O.CO5.O6C.N47 |
CHEMBL1371641 | O=C(O)CN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][#Branch1][=C][\C][=C][C][=C][C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][#C][S][C][Ring2][Ring1][=Branch1][=S] | N17C(=O)C=6SC1=S.C=6c1cccc5c1.c18ccccc1F.O=C(O)C7.O45.C48 |
CHEMBL1371642 | COCCCNCCCOc1ccc(C)cc1Br | [C][O][C][C][C][N][C][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br] | c14ccc(C)cc1Br.C2CC5.C6CC3.CO2.N56.O34 |
CHEMBL1371643 | COc1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)c(C)o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=N][C][Branch2][Ring1][#Branch1][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][=C][Branch1][C][C][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][O][C] | c16ccc%11cc17.c1%11nc%10c(C)o1.N18CCN5CC1.c19ccco1.C59=O.CO6.C8%10.O7C |
CHEMBL4942271 | CCc1nsc(N2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)n1 | [C][C][C][=N][S][C][Branch2][Ring1][Branch2][N][C][C][C][C@@H1][O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][O][Ring1][#C][=N][Ring2][Ring1][Ring2] | N15CCCC2OC7CC21.c16nsc5n1.c17ccccc1.CC6 |
CHEMBL4942278 | CC(C)(C)OC(=O)[C@H]1CCCN(c2ncnc(N)c2Cl)C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][C][C][C][N][Branch1][=N][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][Cl][C][Ring1][=C] | c15ncnc(N)c1Cl.C16CCCN5C1.CC4(C)C.C36=O.O34 |
CHEMBL4942279 | CC(C)(C)c1noc(C2(NC(=O)[C@H]3CCC(=O)N3)CCCCC2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][#Branch2][C][Branch1][S][N][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | C158CCCCC1.c17noc8n1.C16CCC(=O)N1.CC7(C)C.C46=O.N45 |
CHEMBL4942280 | Cc1nn(CC(F)F)cc1C(=O)N(C)[C@H]1CCN(C)C1=O | [C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O] | Cc1nn5cc14.C13CCN(C)C1=O.C5C(F)F.C24=O.N23C |
CHEMBL4942282 | Cc1ccc(NC(=O)N(C)C(C)C)cc1NC(=O)N(C)C(C)C | [C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C] | Cc1ccc8cc19.C23=O.N36C.C6(C)C.C45=O.N57C.C7(C)C.N28.N49 |
CHEMBL1371656 | COc1ccc(-n2cc(CN(C)CCO)c(-c3cccc(F)c3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][=C][Branch1][=Branch2][C][N][Branch1][C][C][C][C][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c14ccc8cc1.n18cc7c9n1.c19cccc(F)c1.N56C.C6CO.CO4.C57 |
CHEMBL1364418 | Cc1cc2c(c3oc(=O)c4ccccc4c13)CN(Cc1ccc(F)cc1)CO2 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=Ring1][O][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][Ring2][Ring1][=Branch2] | Cc1cc2c(c3oc(=O)c4ccccc4c13)CN5CO2.c16ccc(F)cc1.C56 |
CHEMBL4942332 | CCC[C@H]1CCCN(C(=O)c2c(C)nsc2NC)CC1 | [C][C][C][C@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][S][C][=Ring1][=Branch1][N][C][C][C][Ring1][P] | C16CCCN3CC1.c15c(C)nsc14.CCC6.C35=O.N4C |
CHEMBL4942333 | CC[C@H]1C=CCN1C(=O)c1coc(CN2CCN(c3ncccn3)CC2)n1 | [C][C][C@H1][C][=C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=N][Ring2][Ring1][C] | N15CCN6CC1.C18C=CCN14.c17coc9n1.c16ncccn1.C47=O.CC8.C59 |
CHEMBL1364419 | Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][N][C][C][=C][Ring2][Ring1][Branch2][C] | Cc1ccc7cc1C.c19nnc8n1C.N15CCOCC1.C4(=O)C6.N47.S69.C58 |
CHEMBL1364420 | CC1CCc2onc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2C1 | [C][C][C][C][C][O][N][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=Ring2][Ring1][Ring2][C][Ring2][Ring1][Branch2] | CC1CCc2onc7c2C1.N15CCN6CC1.c16ccc(Cl)cc1.C57=O |
CHEMBL1364421 | Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)O)cc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][O][C][=C][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2] | S4(=O)(=O)c1ccc6cc1.Cc1cc(C)c5c(C)c1.C3(=O)C=7.C=7C(=O)O.N45.N36 |
CHEMBL1364422 | CCOc1ccc2nc(SCC(=O)NC3CC3)sc2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][C][Ring1][=N][=C][Ring1][P] | c16ccc2nc9sc2c1.C7C4=O.C18CC1.CC5.O56.S79.N48 |
CHEMBL1364423 | COc1ccccc1NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][C][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] | S6(=O)(=O)c1ccccc1.c18cc(Cl)ccc1C.c14ccccc17.c19ccc%10cc1.C39=O.N568.CO4.N37.C5%10 |
CHEMBL4942403 | COCc1nc(C)cc(N2CCN(c3ccc(N)nc3)CC2)n1 | [C][O][C][C][=N][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][Ring2] | c17nc5cc(C)n1.N15CCN6CC1.c16ccc(N)nc1.CO4.C47 |
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