ID large_stringlengths 7 13 | smiles stringlengths 1 288 | selfies stringlengths 3 1.14k | safe stringlengths 1 292 |
|---|---|---|---|
CHEMBL4938934 | NC(=NCCc1cccc(Cl)c1)N1CCOCC1 | [N][C][=Branch1][#C][=N][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | NC(=NCC2)N1CCOCC1.c12cccc(Cl)c1 |
CHEMBL4938936 | CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc(CC(C)C)s1 | [C][N][C][=Branch1][C][=O][N][C][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2] | C17COCCN14.c16ccc8s1.C8C(C)C.C23=O.C46=O.CN2.N35.C57 |
CHEMBL4938937 | Cc1cc(C(=O)N(CC(=O)N2CCOCC2)Cc2ccccc2)no1 | [C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][Branch2] | Cc1cc7no1.N14CCOCC1.c18ccccc1.C5C4=O.C37=O.N356.C68 |
CHEMBL4938938 | CCc1sc(N)nc1CC(=O)OC | [C][C][C][S][C][Branch1][C][N][=N][C][=Ring1][=Branch1][C][C][=Branch1][C][=O][O][C] | c13sc(N)nc14.C4C2=O.CC3.O2C |
CHEMBL4938939 | O=S(=O)(Cc1ccc(Cl)cc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C@H1][Branch1][S][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][Ring1][#C] | c17ccc(Cl)cc1.N14CCCC6C1.c15nc8no1.O=S4(=O)C7.C18CC1.C56 |
CHEMBL1365069 | O=C1C2=CC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@@H]2[C@H](O)[C@@H]2O[C@H]12 | [O][=C][C][=C][C][C@H1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Ring1][=C][C@@H1][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][O][C@H1][Ring2][Ring1][Branch2][Ring1][Ring1] | O=C1C2=CCC3C(=O)N5C(=O)C3C2C(O)C2OC12.c16ccccc1.C56 |
CHEMBL1365070 | CCN(CC)c1ccc(-c2nc3cnccc3n2C)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][#C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring1][S] | c17nc2cnccc2n1C.c16ccc7cc1.N456.CC4.C5C |
CHEMBL1365071 | CN(C)c1ccc(NC(=O)c2sc(SCC(=O)Nc3ccc(Br)cc3)nc2N)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][C][=Ring1][P][N][C][=C][Ring2][Ring1][O] | c17ccc8cc1.c1%10sc%11nc1N.c19ccc(Br)cc1.C6C5=O.CN7C.C4%10=O.N48.S6%11.N59 |
CHEMBL1365462 | Cc1nnc(N2CCC(C(=O)NC(C)C)CC2)c2nn(-c3ccccc3)c(C)c12 | [C][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][N][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][N][Ring1][N] | Cc1nnc6c2nn8c(C)c12.N16CCC7CC1.c18ccccc1.C47=O.C5(C)C.N45 |
CHEMBL4939015 | C#CCN(C)S(=O)(=O)CC1CCC1 | [C][#C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Ring1][Ring2] | S3(=O)(=O)C4.C14CCC1.C#CC2.N23C |
CHEMBL4939016 | C[C@]1(CO)[C@H]2Cc3sc(NC(=O)C4CCC4)nc3[C@@H](CC(=O)Nc3nccs3)[C@]2(C)CC[C@H]1O | [C][C@][Branch1][Ring1][C][O][C@H1][C][C][S][C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=N][C][=Ring1][N][C@@H1][Branch1][=C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C@][Ring2][Ring1][=Branch2][Branch1][C][C][C][C][C@H1][Ring2][Ring1][S][O] | CC1%10C(O)CCC2(C)C(CC6=O)c3nc7sc3CC12.c18nccs1.C19CCC1.C59=O.C%10O.N57.N68 |
CHEMBL4939017 | CC(C)(C)OC(=O)CC[C@H]1CCCCN1Cc1csnn1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][C][=C][S][N][=N][Ring1][Branch1] | C15CCCCN14.C2(=O)CC5.c16csnn1.CC3(C)C.O23.C46 |
CHEMBL4939018 | COc1ccc(/C=C/CN2CCN(c3ncc(Cl)cn3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][/C][N][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c14ccc(C=7)cc1.N15CCN6CC1.c16ncc(Cl)cn1.C=7C5.CO4 |
CHEMBL4939019 | COCc1cn(C2CCN(c3ncccc3C(N)=O)CC2)nn1 | [C][O][C][C][=C][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][#C][N][=N][Ring2][Ring1][Ring2] | C18CCN5CC1.c15ncccc16.c17cn8nn1.C6(N)=O.CO4.C47 |
CHEMBL4939020 | Cc1nccc(N2CC[C@H]3[C@H](CCC(=O)N3CCc3cccs3)C2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][#C][N][C][C][C@H1][C@H1][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2] | N14CCC2C(CCC(=O)N25)C1.Cc1nccc4n1.c16cccs1.C5C6 |
CHEMBL1365463 | Cc1ccc(CN2CCCOCCS2(=O)=O)cc1 | [C][C][=C][C][=C][Branch1][S][C][N][C][C][C][O][C][C][S][Ring1][Branch2][=Branch1][C][=O][=O][C][=C][Ring1][P] | N13CCCOCCS1(=O)=O.Cc1ccc4cc1.C34 |
CHEMBL1365464 | Cc1ccccc1-n1c(C)nnc1S | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S] | Cc1ccccc12.n12c(C)nnc1S |
CHEMBL1365467 | COc1ccc(NC(=O)NC2(C(=O)N3CCCCC3)CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch2] | c17ccc9cc1.C18%10CCCCC1.N16CCCCC1.C45=O.C6%10=O.CO7.N49.N58 |
CHEMBL4939067 | C[C@@H](c1cccc(O)c1)N1C(=O)NC(CC(F)(F)F)C1=O | [C][C@@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O][=O] | N12C(=O)NC3C1=O.c14cccc(O)c1.C3C(F)(F)F.CC24 |
CHEMBL4939068 | COc1cc(N2C[C@@H](C(=O)N3CCn4ncnc4C3)CC2=O)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][=N][N][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][N][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2][C][C][Ring1][S][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C] | c16cc%10cc7c18.N15CCn2ncnc2C1.N1%10CC9CC1=O.C59=O.CO6.O7C.O8C |
CHEMBL4939069 | O=C1[C@@H](n2ncnc2-c2ccccc2Cl)CCN1CC(F)(F)F | [O][=C][C@@H1][Branch1][P][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][N][Ring1][P][C][C][Branch1][C][F][Branch1][C][F][F] | O=C1C4CCN13.c15ccccc1Cl.n14ncnc15.C3C(F)(F)F |
CHEMBL4939070 | CCN(CC)C(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring1][=N] | c17ccc6c(C)c1.S5(C)(=O)=O.N234.C27=O.N56C.CC3.C4C |
CHEMBL1365469 | C(=C/c1nc(-c2cccnc2)no1)\c1ccccc1 | [C][=Branch2][Ring1][Ring1][=C][/C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][\C][=C][C][=C][C][=C][Ring1][=Branch1] | C=3c1ccccc1.C=3c1nc4no1.c14cccnc1 |
CHEMBL1365986 | Cn1c(=O)c2cc(S(=O)(=O)N3CCC(c4ccccc4)CC3)ccc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][Branch1][N][Branch1][C][C][C][Ring2][Ring1][O][=O] | Cn1c(=O)c2cc(S5(=O)=O)ccc2n(C)c1=O.N15CCC6CC1.c16ccccc1 |
CHEMBL1365989 | CCOC(=O)Cc1ccc(NC(=O)NCc2c(-n3cccc3)sc3c2CCCC3)cc1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][S][C][=C][Ring1][#Branch2][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] | c1%11c%12sc2c1CCCC2.c1%10ccc9cc1.n1%12cccc1.C4(=O)C%10.C56=O.CC7.O47.N59.N68.C8%11 |
CHEMBL1365990 | COc1ccc(/C=C/C(=O)N(C(C)C)C(C)C)cc1Br | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][/C][=C][/C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=C][Ring1][P][Br] | c13ccc(C=6)cc1Br.C=6C2=O.N245.C4(C)C.C5(C)C.CO3 |
CHEMBL1365991 | CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)NC2CCCCC2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][P] | c1%12nc2ccccc2c(=O)n1%11.c17ccc9cc1.C1%10CCCCC1.C%11CC5=O.C4(=O)C8.CC6.O67.N49.S8%12.N5%10 |
CHEMBL4939176 | CC1CN(C(=O)C2Cc3cc(Cl)ccc3O2)CC1N(C)C | [C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][C][Ring1][P][N][Branch1][C][C][C] | C16Cc2cc(Cl)ccc2O1.CC1CN4CC15.C46=O.N5(C)C |
CHEMBL4939177 | O=C(NC[C@H](OCCO)c1cccs1)c1ccsc1 | [O][=C][Branch1][P][N][C][C@H1][Branch1][Branch1][O][C][C][O][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1] | c17cccs1.c16ccsc1.C5C37.O=C26.C4CO.N25.O34 |
CHEMBL1365993 | CC(C)(O)C#Cc1c(C=O)[nH]c2ccccc12 | [C][C][Branch1][C][C][Branch1][C][O][C][#C][C][=C][Branch1][Ring1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | CC(C)(O)C#Cc1c(C=O)[nH]c2ccccc12 |
CHEMBL1366513 | COc1ccc2cc(C3CC(c4ccco4)=NN3S(=O)(=O)c3ccccc3)c(Cl)nc2c1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][S][C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=N][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C] | C16CC(c2ccco2)=NN1S(=O)(=O)c1ccccc1.c15ccc2cc6c(Cl)nc2c1.CO5 |
CHEMBL1366639 | O=C(Cc1ncc(C(F)(F)F)cc1Cl)N1CCN(c2ccccn2)CC1 | [O][=C][Branch2][Ring1][Branch1][C][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c15ncc6cc1Cl.N13CCN4CC1.c14ccccn1.O=C3C5.C6(F)(F)F |
CHEMBL4939243 | O=C(COCc1ccccc1Cl)N[C@H]1CCN(C2CC2)C1 | [O][=C][Branch1][=N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C@H1][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][Branch2] | c18ccccc1Cl.C16CCN7C1.O=C3C4.C17CC1.O45.C58.N36 |
CHEMBL4939244 | Cc1ccc(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch2][C][Ring1][=N][=O][C][Branch1][C][C][=C][Ring2][Ring1][Branch2] | N15C(=O)NC2(CCCCCCC2)C1=O.Cc1ccc4c(C)c1.C4(=O)C5 |
CHEMBL1366641 | Cc1cc(NCCCn2ccnc2)n2nc(C)c(-c3ccccc3)c2n1 | [C][C][C][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][N][N][=C][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][N][=Ring2][Ring1][=Branch2] | Cc1cc5n2nc(C)c7c2n1.c17ccccc1.n16ccnc1.C4CC6.N45 |
CHEMBL1366642 | COc1ccccc1Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1.c13ccccc15.CO3.C45 |
CHEMBL1366643 | CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 | [C][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1][C][C][Ring1][P] | c18ncnc2sc(C)c(C)c12.c19ccc(F)c(F)c1F.C1%10CCN8CC1.C7C4=O.CCC6.N567.C5%10=O.N49 |
CHEMBL1366644 | COc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OCc1c(C)noc1C | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] | c18nc2ccccc2s1.c16cc9ccc17.c1%10c(C)noc1C.C49=O.CO6.N48.O57.C5%10 |
CHEMBL1367166 | CCN1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3CC)CC2)CC1 | [C][C][N][C][C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2] | c18cc2sccc2n1%10.N17CCN5CC1.C19CCN6CC1.C59=O.C68=O.CC7.C%10C |
CHEMBL4939905 | CC(C)O[C@@H]1CCN(C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 | [C][C][Branch1][C][C][O][C@@H1][C][C][N][Branch2][Ring1][Branch2][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C] | c16ccc7cc1.C14CCN5C1.C5C6O.C7(F)(F)F.CC3C.O34 |
CHEMBL4939906 | CC(C)c1nc(-c2noc(-c3ccsn3)n2)cs1 | [C][C][Branch1][C][C][C][=N][C][Branch1][P][C][=N][O][C][Branch1][Branch2][C][C][=C][S][N][=Ring1][Branch1][=N][Ring1][#Branch2][=C][S][Ring1][#C] | c14nc5cs1.c15noc6n1.c16ccsn1.CC4C |
CHEMBL4939907 | CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccco2)Cc2cn(Cc3nccn3C)c3cccc1c23 | [C][C][Branch1][C][C][C][C@@H1][N][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][N][Branch1][#Branch2][C][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][Ring2][Ring1][N][=C][Ring1][S][Ring1][=Branch1] | CC(C)CC1NC6Cc2cn7c3cccc1c23.c19nccn1C.c18ccco1.C46=O.N45.C58.C79 |
CHEMBL1367167 | COc1cc(CNc2ncc(-c3ccc(Br)cc3)n2C)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Branch2][C][N][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Ring1][N][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] | c14cc9cc5c16.c18ncc%10n1C.c1%10ccc(Br)cc1.CO4.C79.N78.O5C.O6C |
CHEMBL1367168 | COc1ccc(OC)c(CC(NC(C)=O)C(=O)NC2CCN(c3c(Cc4ccccc4)c(C)nc4ncnn34)CC2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Branch1][#Branch1][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][N][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][C][=N][C][=N][N][Ring1][P][Ring1][Branch1][C][C][Ring... | c1%11c%14c(C)nc2ncnn12.c18ccc9c%13c1.C1%12CCN%11CC1.C%13C%10C7=O.c16ccccc1.C5(C)=O.CO8.O9C.N5%10.N7%12.C%146 |
CHEMBL1367169 | CCOc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1O | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][P][/C][=C][/N][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][P][=O][=C][Ring2][Ring1][=Branch2][O] | c16cccc(C=8)c1O.C1=8NC(=O)N9C1=O.c17cccc(C)c1.C9C4=O.CC5.O56.N47 |
CHEMBL1367171 | O=C(NC12CC3CC(CC(C3)C1)C2)c1cccnc1Cl | [O][=C][Branch2][Ring1][=Branch1][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl] | C125CC3CC(CC(C3)C1)C2.c16cccnc1Cl.O=C46.N45 |
CHEMBL4940455 | COc1cccnc1CC(=O)NC1(c2ccccc2)COC1 | [C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Ring1][#Branch2] | c14cccnc16.c17ccccc1.C157COC1.C6C3=O.CO4.N35 |
CHEMBL4940456 | COc1ccc(C(=O)N2CC(=O)N3C[C@@H](OC)C[C@H]3C2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring1][O][C][C][C@H1][Ring1][#Branch1][C][Ring1][N][C][=N][Ring2][Ring1][Ring2] | N14CC(=O)N2CC6CC2C1.c15ccc7cn1.C47=O.CO5.O6C |
CHEMBL1367975 | Cc1ccc(S(=O)(=O)N2CCC(=O)N(CCOCc3cccc(F)c3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N] | Cc1ccc(S6(=O)=O)cc1.N16CCC(=O)N7CC1.c18cccc(F)c1.C7C4.O45.C58 |
CHEMBL1368098 | CSc1ncccc1C(=O)OCC(=O)c1cc(C)n(CC2CCCO2)c1C | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Ring1][N][C] | c16cc(C)n7c1C.c19ncccc15.C18CCCO1.C4C6=O.C35=O.CS9.O34.C78 |
CHEMBL1368099 | CCC(C(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1 | [C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | CCC5C3=O.c14nnc6s1.c15ccccc1.c16ccco1.N34 |
CHEMBL4940797 | COc1cc(C(=O)NCc2cnc(N(C)C)n2C)ccc1Cl | [C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][Ring1][Branch2][C][=C][C][=C][Ring2][Ring1][Ring1][Cl] | c14cc7ccc1Cl.c18cnc6n1C.C37=O.N6(C)C.CO4.N35.C58 |
CHEMBL4940798 | CC[C@H](C)CN1CCC(O)(c2ncnn2C)CC1 | [C][C][C@H1][Branch1][C][C][C][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=N][C][=N][N][Ring1][Branch1][C][C][C][Ring1][=N] | N13CCC4(O)CC1.c14ncnn1C.CCC(C)C3 |
CHEMBL1368100 | Cc1cc(C)c(NC(=O)CN2CCN3CCCC3C2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][C][N][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1cc(C)c6c(C)c1.N15CCN2CCCC2C1.C4(=O)C5.N46 |
CHEMBL1368101 | Cc1ccc(Nc2c(-c3ccc(C)o3)nc3cccc(C)n23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][N][=C][C][=C][C][=C][Branch1][C][C][N][Ring1][S][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | c14c6nc2cccc(C)n12.Cc1ccc5cc1.c16ccc(C)o1.N45 |
CHEMBL1369048 | C=CCc1cc(C=C2C(=O)NC(=O)NC2=O)cc(OC)c1OCc1ccc(C(=O)O)cc1 | [C][=C][C][C][=C][C][Branch1][P][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][=O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] | c18cc(C=7)cc4c15.C1=7C(=O)NC(=O)NC1=O.c19ccc6cc1.C=CC8.C6(=O)O.O4C.O35.C39 |
CHEMBL4940817 | COC(=O)c1ccnc(-c2cc[nH]n2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][=C][Ring1][O] | c14ccnc5c1.c15cc[nH]n1.C34=O.CO3 |
CHEMBL4940818 | Nc1c2c(-c3ccccc3F)nc(NCCc3ccccc3)nc2nn1-c1ccc(Cl)c(Cl)c1 | [N][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][=Branch1][=N][N][Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | Nc1c2c8nc5nc2nn17.c17ccc(Cl)c(Cl)c1.c18ccccc1F.c16ccccc1.C4C6.N45 |
CHEMBL4940819 | Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)N3CCOCC3)CC2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch2][O][C@H1][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][#C][=N][Ring2][Ring1][#Branch1] | Cc1cc(C)nc6n1.C17CCC8CC1.N15CCOCC1.C45=O.O67.N48 |
CHEMBL4940820 | COc1ccccc1-c1n[nH]c(C2CC2)c1NC(=O)C1CCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1] | c14ccccc18.c18n[nH]c7c15.C16CCCC1.C17CC1.C36=O.CO4.N35 |
CHEMBL4940822 | CCc1nc(C)c(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)no3)C2)o1 | [C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][Ring1][P][O][Ring2][Ring1][=Branch2] | c17nc(C)c6o1.N15CCCC8C1.c18nc9no1.c19ccccc1.C56=O.CC7 |
CHEMBL1369049 | O=C(NCc1ccco1)c1cc2sccc2n1Cc1ccc(F)cc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15cc2sccc2n16.c18ccc(F)cc1.c17ccco1.O=C35.N34.C47.C68 |
CHEMBL1369050 | COc1ccc2[nH]cc(C(=O)CNc3nc(C)cs3)c2c1 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][P][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c14ccc2[nH]cc7c2c1.c16nc(C)cs1.C7(=O)C5.CO4.N56 |
CHEMBL1369180 | COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=N][C][Ring1][=N][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch2] | c17ccc2oc9nc2c1.c19ccc(F)cc1Cl.c16ccc8cc1.C58=O.CO6.N57 |
CHEMBL4940836 | Cc1ccsc1CN1CCC[C@@](O)(CO)CC1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][C][C][C][C@@][Branch1][C][O][Branch1][Ring1][C][O][C][C][Ring1][#Branch2] | N12CCCC4(O)CC1.Cc1ccsc13.C23.C4O |
CHEMBL4940837 | N#Cc1cccc(COc2cccc(CN[C@H]3CCCCNC3=O)c2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][C][Branch1][=N][C][N][C@H1][C][C][C][C][N][C][Ring1][#Branch1][=O][=C][Ring1][S][=C][Ring2][Ring1][Branch2] | N#Cc1cccc8c1.C17CCCCNC1=O.c15cccc9c1.C48.O45.C69.N67 |
CHEMBL4940838 | Cc1nc(O)c(Cl)c(N2CCC(CCN3CCCC3)CC2)n1 | [C][C][=N][C][Branch1][C][O][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][Branch1] | Cc1nc5c(Cl)c(O)n1.N15CCC6CC1.N14CCCC1.C6C4 |
CHEMBL1369181 | Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | C3(=O)CCS(=O)(=O)c1ccc(C)cc1.Cc1ccc5cc1.C45.N34 |
CHEMBL1369182 | CN(C)c1ccc(C(=O)C(=O)c2ccccc2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c13ccc4cc1.c15ccccc1.C4(=O)C5=O.CN3C |
CHEMBL1369183 | CCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2C)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C][S][Ring2][Ring1][=Branch1] | c18nnc9n1C.c17nnc6s1.c19ccncc1.C4(=O)C5.CC7.N46.S58 |
CHEMBL1370335 | COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | c1%10ccc7cc1.c1%11ccc8cc1.C19CCCO1.C4%10=O.C5%11=O.C69=O.CO4.N57.N68 |
CHEMBL1370336 | O=C(O)c1cccc(-n2cnnn2)c1 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O] | c13cccc4c1.n14cnnn1.O=C3O |
CHEMBL4940854 | CCc1nc(N)nc(N2CCC[C@H](O)CC2)c1C | [C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][=N][N][C][C][C][C@H1][Branch1][C][O][C][C][Ring1][Branch2][=C][Ring1][#C][C] | c14nc(N)nc3c1C.N13CCCC(O)CC1.CC4 |
CHEMBL4940856 | O=C(CCCn1cncn1)N1CCC(c2nnc3n2CCCCC3)CC1 | [O][=C][Branch1][O][C][C][C][N][C][=N][C][=N][Ring1][Branch1][N][C][C][C][Branch1][#C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][C][Ring1][S] | c16nnc2n1CCCCC2.N14CCC6CC1.O=C4CCC5.n15cncn1 |
CHEMBL4940857 | O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2c(s1)CCCCC2 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][C][Ring1][Branch2] | c14ccc2[nH]c(=O)[nH]c2c1.c15cc2c(s1)CCCCC2.O=C35.N34 |
CHEMBL4940858 | CC(C)(C)c1cc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)[nH]n1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][=N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][N][=Ring1][O][NH1][N][=Ring2][Ring1][Ring1] | c17cc5[nH]n1.c14ccn6n1.C6(C)(C)C(=O)O.CC7(C)C.C35=O.N34 |
CHEMBL4940859 | CN(C)C[C@H]1CN(CCOCC(F)(F)F)CCO1 | [C][N][Branch1][C][C][C][C@H1][C][N][Branch1][=N][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F][C][C][O][Ring1][=C] | C16CN5CCO1.C3C(F)(F)F.CN4C.C5C2.C46.O23 |
CHEMBL1370337 | Cc1ccc2[nH]c(SCC(=O)N3CCOCC3)nc2c1C | [C][C][=C][C][=C][NH1][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc2[nH]c6nc2c1C.N14CCOCC1.C5C4=O.S56 |
CHEMBL1370338 | COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1Cc1ccc(-c2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][C@@H1][C][C@@][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C@H1][Ring1][#Branch2][N][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | C15CC2(O)C(O)C(O)C(O)CC2N14.c16ccc7cc1.c17ccccc1.C35=O.CO3.C46 |
CHEMBL1370339 | Cc1nccn1CCOc1ccccc1Cl | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c13ccccc1Cl.Cc1nccn14.C4C2.O23 |
CHEMBL1370340 | N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1 | [N][#C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S] | c14ccc(S5(=O)=O)cc1.N#Cc1c3cccc1Cl.c16ccccc1.O34.N56 |
CHEMBL4940869 | CNC[C@@H]1C[C@H](F)CN1C(=O)CC(C)(C)c1ccc(F)cc1 | [C][N][C][C@@H1][C][C@H1][Branch1][C][F][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C14CC(F)CN12.C2(=O)CC5(C)C.c15ccc(F)cc1.CN3.C34 |
CHEMBL4940870 | CN(Cc1ccc(CN2CCc3[nH]nc(C4CC4)c3C2)o1)S(C)(=O)=O | [C][N][Branch2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][C][C][NH1][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Ring1][Branch2][C][Ring1][N][O][Ring2][Ring1][C][S][Branch1][C][C][=Branch1][C][=O][=O] | N16CCc2[nH]nc%10c2C1.c18ccc9o1.S7(C)(=O)=O.CN57.C1%10CC1.C58.C69 |
CHEMBL4940871 | COc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccncc4)C3C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][P][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][N] | N16C(=O)C2ON(c3ccccc3)C7C2C1=O.c15ccc6cc1.c17ccncc1.CO5 |
CHEMBL4940872 | CCc1onc(C)c1[C@@H]1CCCN1Cc1cc(OC)c(O)c(OC)c1 | [C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C@@H1][C][C][C][N][Ring1][Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][O] | c16cc2c(O)c3c1.c15onc(C)c17.C17CCCN14.CC5.C46.O2C.O3C |
CHEMBL1370423 | Cc1ccc(-c2nnc(N3CCN(C(=O)COc4ccccc4)CC3)c3ccccc23)cc1 | [C][C][=C][C][=C][Branch2][Ring2][O][C][=N][N][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][S] | c19nnc8c2ccccc12.Cc1ccc9cc1.N18CCN5CC1.c17ccccc1.C5(=O)C6.O67 |
CHEMBL1370424 | COc1cccc(CN2CCN(Cc3nc(-c4cccs4)oc3C)CC2CCO)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][N][C][C][N][Branch2][Ring1][Ring1][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][C][=Ring1][#Branch2][C][C][C][Ring2][Ring1][C][C][C][O][=C][Ring2][Ring1][N] | N16CCN7CC18.c15cccc%10c1.c19nc%11oc1C.c1%11cccs1.C8CO.CO5.C6%10.C79 |
CHEMBL1371709 | CC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccccn1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1] | CC1(C)CC(=O)CC(C)(C)N1O2.c13ccccn1.C23=O |
CHEMBL1371710 | CCC[C@@H]1C[C@@]1(CCC)C(NC(=O)c1cccs1)c1ccc(Cl)cc1 | [C][C][C][C@@H1][C][C@@][Ring1][Ring1][Branch1][Ring2][C][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c18ccc(Cl)cc1.C15CC167.c14cccs1.CCC5.C6CC.C378.C24=O.N23 |
CHEMBL4940893 | O=C(Nc1ccc(Br)cn1)[C@@H]1Cc2ccccc2O1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | C15Cc2ccccc2O1.c14ccc(Br)cn1.O=C35.N34 |
CHEMBL4940894 | CN(Cc1ccccc1)C(=O)c1coc(CN(Cc2ccc3c(c2)OCO3)Cc2ccc(Cl)cc2Cl)n1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring2][C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][#Branch2] | c1%13ccc2c(c1)OCO2.c15ccc(Cl)cc1Cl.c1%12ccccc1.c1%10coc%11n1.CN46.C4%10=O.N789.C6%12.C7%11.C8%13.C95 |
CHEMBL4940895 | Cc1nnc(CN(CCN2CCOC[C@@H]2C)C(C)(C)C)o1 | [C][C][=N][N][=C][Branch2][Ring1][Branch2][C][N][Branch1][N][C][C][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring2][Ring1][Ring2] | N15CCOCC1C.Cc1nnc7o1.C6(C)(C)C.N346.C4C5.C37 |
CHEMBL1371711 | CN(C)S(=O)(=O)Nc1ccccn1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | CN(C)S(=O)(=O)N2.c12ccccn1 |
CHEMBL1371715 | COc1ccc(CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][=Branch1][O][C] | S6(=O)(=O)c1cn(C)c(=O)n(C)c1=O.c13ccc7cc14.C7C5.CO3.N56.O4C |
CHEMBL4940914 | CCS(=O)(=O)CC(C)NC(C)c1c(F)cccc1F | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][N][C][Branch1][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | CCS(=O)(=O)CC2C.c14c(F)cccc1F.C34C.N23 |
CHEMBL4940915 | Cc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc15.c15nnc6n14.c16ccc7cc1.c17ccccc1.c14ccccc1 |
CHEMBL4940916 | COc1nccc(NC(=O)N2CCOC(C(C)O)C2)n1 | [C][O][C][=N][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][=Branch1][C][Branch1][C][C][O][C][Ring1][=Branch2][=N][Ring2][Ring1][C] | c15nccc6n1.N14CCOC7C1.C34=O.C7(C)O.CO5.N36 |
CHEMBL4940917 | COc1ccc(NCc2c(C)nn(C)c2Oc2cccnc2)c(C)n1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=N][Ring2][Ring1][#Branch1] | c13ccc7c(C)n1.c18c(C)nn(C)c14.c15cccnc1.CO3.N67.C68.O45 |
CHEMBL1370972 | CC1=CC=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC3CCCC3)Cc3ccc(Cl)cc3)N12 | [C][C][=C][C][=C][C][=N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring1][S][Ring2][Ring1][N] | CC1=CC=CC2=NC(=O)CC9(C)N12.c1%10ccc(Cl)cc1.C18CCCC1.C6C5=O.C49=O.N467.N58.C7%10 |
CHEMBL1364809 | CNc1nc(C)c(C(=O)c2ccc(Cl)cc2)s1 | [C][N][C][=N][C][Branch1][C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#C] | c13nc(C)c4s1.c15ccc(Cl)cc1.C45=O.CN3 |
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