chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4204246 | [C][O][C][=C][Branch1][Ring1][O][C][C@][C][=Branch1][=Branch1][=C][C][Ring1][Branch2][=O][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C@@][Ring1][S][Branch1][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][R... |
CHEMBL4204248 | [C][O][C][=C][C][=C][C][Branch2][Ring2][P][C][=Branch1][C][=O][O][C@H1][C@@H1][Branch1][C][C][C][C@][Branch1][C][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C@@H1][C@H1][Branch1][=C][C][C][/C][Branch1][C][C][=C][\C@@H1][Ring2][Ring1][Ring1][Ring1][#C][C][Ring1][=Branch2][Branch1][C][C][C][=C][Ring2][Ring1][#C] |
CHEMBL4204249 | [C][O][C][=C][C][=C][Branch1][S][N][Branch1][C][C][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][=C][Ring1][#C][O][C][C][C][C][C][Br] |
CHEMBL4204250 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=S][N][C][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
CHEMBL4204337 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][S][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][Ring1][O][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4204338 | [C][=C][C@@H1][C][C][C][=C][Branch1][S][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C][C@@][Ring1][#C][Branch1][C][C][C][C][C@@][Ring2][Ring1][Ring2][Branch1][C][O][C][O] |
CHEMBL4204339 | [C][O][C][=C][Branch1][C][O][C][=C][C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][=Ring1][N] |
CHEMBL4204340 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C@H1][Branch2][Ring1][C][N][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4204436 | [C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][P][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][Ring1][P][O] |
CHEMBL4204437 | [O][=C][Branch1][C][O][C][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][O][C][=C][C][Branch1][#C][O][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=C][C][=C][Ring1][S][Ring2][Ring1][Branch1] |
CHEMBL4204438 | [C][N][C][C][N][Branch2][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][C][C][=C][C][=N][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][Ring1][=N][C][=Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][#C] |
CHEMBL4204439 | [O][=N+1][Branch1][C][O-1][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][S@@+1][Branch1][C][O-1][C][C@@H1][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Ring2][Ring1][Branch1] |
CHEMBL4204537 | [C][C][=C][Branch1][C][O][/C][=Branch2][Ring2][Ring2][=C][/C][Branch1][C][C][C][C][/C][=C][Branch1][C][/C][C][C][C][C][=C][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C@@H1][Ring1][O][O][O][C][Ring2][Ring1][=N][=O] |
CHEMBL4204538 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][#C][Ring2][Ring1][Branch1] |
CHEMBL4204539 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][Branch2][C][Branch1][Ring1][C][O][C][O][N][Branch1][=C][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2] |
CHEMBL4204540 | [C][C][=C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][S][C][=C][Ring1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][=Branch2][=O] |
CHEMBL4204620 | [Cl].[O][=C][Branch2][Ring2][=Branch1][N][C][C][N][C][C][N][Branch2][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL4204621 | [C][C@@H1][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4204622 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][=C][C][C@H1][Ring1][Branch1][C@H1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4204623 | [N][#C][/C][=Branch1][P][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CHEMBL4204624 | [O][=C][Branch2][Branch1][Ring1][N][C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch2][Ring1][Ring1][=C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][C][C][C][C][C][Branch1][O][C][C... |
CHEMBL4204714 | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][O][C][C][=C][Branch1][C][C][C][C][=C][Ring1][N][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4204715 | [Cl].[F][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C] |
CHEMBL4204716 | [C][O][C][=C][C][Branch2][#Branch1][N][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Branch1][P][O][C][=C][C][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O... |
CHEMBL4204717 | [C][C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][Branch1][O][C][C][C][C][=C][Ring1][#Branch2][C][Branch1][Branch1][O][C][C][C][=C][Ring2][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][=C] |
CHEMBL4204803 | [Cl].[N][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4204804 | [O][=C][Branch1][Branch1][O][C][C][Cl][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][Ring1][=C] |
CHEMBL4204805 | [Cl][C][=C][C][=C][C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=C][Ring1][S] |
CHEMBL4204806 | [O][=C][C][S][C][S][C][Branch1][=C][/N][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][N][Ring1][P][Ring1][=C] |
CHEMBL4204807 | [O][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][S][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4204808 | [C][O][C][C][Branch1][C][C][O][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=C][Ring1][#Branch2][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C... |
CHEMBL4204888 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch2][Ring2][Branch1][C][=C][N][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring2][=C][N][Ring2][Ring1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4204889 | [C][C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][O][N][=Ring2][Ring1][Ring2] |
CHEMBL4204890 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][N][C][=C][C][=C][C][=Ring1][N][Ring1][=Branch1] |
CHEMBL4204891 | [C][C@H1][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][O][Branch1][C][C][C][C][N][Ring1][=C][C][C][C][#N] |
CHEMBL4204989 | [C][O][C][C][Branch1][C][C][O][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][N] |
CHEMBL4204990 | [C][C][=C][C][=C][Branch1][P][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] |
CHEMBL4204991 | [C][C][C][C][C][C][C][C][C][C][N][C][Branch2][Ring1][#Branch2][N][C][C][C][N][Branch1][#C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][S][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2] |
CHEMBL4204992 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C][Branch1][C][F][F] |
CHEMBL4204993 | [C][C][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][Ring1][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
CHEMBL4204994 | [C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=C][C][=N][C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Ring1][P][=N][Ring2][Ring1][Branch2] |
CHEMBL4205090 | [C][C][Branch1][C][C][N][C][=N][C][Branch2][Ring1][N][N][C@H1][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][C][C][C][C][Ring1][S][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=N][Ring2][Ring2][C] |
CHEMBL4205091 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][=N][C][=N][S][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][N][O][C][O][C][C][N][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2][F] |
CHEMBL4205092 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4205093 | [C][C][=C][C][=C][Branch2][=Branch1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][/N][=C][\C][C@H1][C@@H1][Branch1][P][C][C][C@H1][C][C@@H1][Branch1][C][O][C][C][C@@][Ring1][#Branch1][Ring1][O][C][C@@H1][C][C@@H1][O][C@][Branch1][O][C][C][C@@H1][Branch1][C][C][C][O][Ring1][#Branch1][C@@H1][Bran... |
CHEMBL4205094 | [C][C][C][C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring1][O][=O] |
CHEMBL4205095 | [C][N][C][C][N][Branch2][Branch1][Branch1][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][#Branch1][N][=C][Ring2][Ring1][=C][C][C][Ring2... |
CHEMBL4205096 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring2][Ring1] |
CHEMBL4205097 | [C][C][N][C][Branch1][P][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] |
CHEMBL4205187 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=C][=O] |
CHEMBL4205188 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][F][=C][Ring1][=Branch2][C][=C][Ring1][#C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N] |
CHEMBL4205189 | [Br][C][=C][C][=C][C][=C][C][=C][Branch1][#Branch1][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Ring1][=C] |
CHEMBL4205190 | [O][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Branch1] |
CHEMBL4205191 | [C][N][C][=N][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring1][N][=N][N][Branch2][Ring1][Branch2][C][C][=C][N][Branch1][=C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][N][=N][Ring1][=C][C][Ring2][Ring1][S][=N][Ring2][Ring2][Ring2] |
CHEMBL4205192 | [C][C][N][C][=N][N][=C][Branch2][=Branch1][N][C][=C][C][=C][Branch2][Branch1][S][C][=C][C][N][Branch2][Branch1][Ring2][C][=Branch1][C][=O][C][N][C][C][C@@][Branch1][Ring1][S][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1]... |
CHEMBL4205278 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2][C][Branch1][C][F][=C][Ring2][Ring1][O] |
CHEMBL4205279 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][Branch1][C][O][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4205281 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4205282 | [C][C][C@][Branch1][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][... |
CHEMBL4205283 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][C][=C][N][=C][NH1][N][=C][Branch1][C][N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring1][S] |
CHEMBL4205284 | [C][C][Branch1][C][C][O][C@H1][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch2][Ring2][=C][C@@H1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C@@H1][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring2][Ring1][Branch2][Ri... |
CHEMBL4205380 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][Branch1][=Branch2][C][=N][C][=C][N][Ring1][Branch1][C][=C][Ring1][N][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4205381 | [C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C][C@][Branch2][=Branch1][C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][=C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@@H1][C][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring1][#Branch2]... |
CHEMBL4205382 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=S][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4205383 | [C][C][#C][C@@][Branch1][C][F][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][=Branch2][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] |
CHEMBL4205384 | [C][#C][C][Branch2][Ring1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C][Ring2][Ring1][N][O] |
CHEMBL4205480 | [C][C@@][Branch1][C][O][Branch2][Ring1][#C][C][/C][=C][/C@H1][C][C][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][C][S][C][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][S][Ring1][Branch2][C][C][C][C][F] |
CHEMBL4205481 | [C][C][Branch1][C][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][O][N][C][N][=C][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][C][=C][N][Ring1][N][N][=Ring1][#C][=C][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][O] |
CHEMBL4205482 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][=Branch1][Branch1][=C][Ring1][Branch2][C][O][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=O] |
CHEMBL4205483 | [C][N][C][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] |
CHEMBL4205574 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][Ring1][C][N][N][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=N][C][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl] |
CHEMBL4205575 | [C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][Branch2][O][C][=C][Branch1][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][C][Ring1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4205576 | [C][C][=C][Branch2][Ring2][#Branch1][C][N][C][C][C][Branch2][Ring1][#Branch2][N][C][=N][C][=N][C][S][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][=C][C][Ring1][=C][=Ring1][#Branch2][C][C][Ring2][Ring1][Branch1][C][=C][C][=C][Ring2][Ring1][N][C][=C][Branch1][Ring1][C][#N][N][Ring1][#Branch1][C][C][N][C][... |
CHEMBL4205577 | [C][O][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][NH1][C][=N][C][Branch1][C][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][P][Ring2][Ring1][=N] |
CHEMBL4205578 | [C][C@H1][Branch1][=C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][C][Ring1][N][=C][Ring1][S] |
CHEMBL4205665 | [C][O][C][=C][C][Branch2][Ring1][#C][N][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O] |
CHEMBL4205666 | [C][C@@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][N][=C][Branch1][Ring1][C][O][C][C][=Branch1][C][=O][NH1][C][Branch1][C][O][=N][C][=Ring1][Branch2][Ring1][=N] |
CHEMBL4205667 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][=Branch1][Ring2][N][C][=C][Branch2][Branch1][=Branch2][C][O][/N][=C][\C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Branch1][S][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][O][C][O][Ring1][Branch... |
CHEMBL4205668 | [N][=C][Branch1][Ring1][C][F][N][C][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4205669 | [C][C][Branch1][C][C][Branch1][C][F][C][C][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@][Ring1][#Branch1][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][F][C][=C][C][=Branch1][C][=O][C@@H1][C][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@H1][Ring1][#Branch1][C][C@][Ring1][O][Branch1][C][C][C@H1][Ring1][P][C][C][C@][... |
CHEMBL4205752 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Ring1][Branch2][Ring1][#Branch1][C][C][Ring2][Ring1][=C] |
CHEMBL4205753 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N] |
CHEMBL4205754 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][N][=C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][=Ring1][=C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4205755 | [C][C][=N][N][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][O][Ring2][Ring1][#Branch2] |
CHEMBL4205855 | [C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][S][C][=Ring1][P][C][=C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][#C] |
CHEMBL4205856 | [O][=C][/C][=Branch2][Ring1][=N][=C][/C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@@H1][Branch1][Branch2][C][N][Ring2][Ring2][C][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2] |
CHEMBL4205857 | [C][C][=N][C][Branch1][C][N][=C][C][Branch2][Ring1][O][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][#Branch1] |
CHEMBL4205858 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=N][Ring1][=Branch2] |
CHEMBL4205859 | [N][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=Ring1][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4205950 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][/C][=C][/C][=C][C][=C][Branch1][Ring2][N][=C][=S][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring1][=N][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=Branch2].[Na+1].[Na+1] |
CHEMBL4205951 | [Cl][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][C][C][C][=C][C@H1][C][C@H1][Branch1][N][C][N][C][C][C][C][C@H1][Ring1][#Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4205952 | [2H][C][=C][C][=N][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring1][=C][N][Ring1][P][C][C][=Branch1][C][=O][N][Branch1][C][C][C] |
CHEMBL4205953 | [C][O][C][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][O][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4206046 | [C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][C][=C][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
CHEMBL4206047 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch1][#C][Se][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=C][Ring1][S] |
CHEMBL4206048 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][=N][C][=C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][NH1][Ring1][S][C][=N][Ring2][Ring1][Branch1] |
CHEMBL4206049 | [C][C][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][Ring1][Branch2][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1] |
CHEMBL4206050 | [C][O][C][=C][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][C][=C][Ring1][O][O] |
CHEMBL4206135 | [C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][=N] |
CHEMBL4206136 | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@@H1][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][=C][C@@H1][Branch1][N][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][C@H1][Ring1][S][C][Branch1][C][C][C] |
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