chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4292638 | [C][C@@H1][O][C@@H1][Branch2][Branch1][S][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][O][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring1][#C][Ring2][Ring1][Ring2][C][C@][Ring2][Ring1][=C][Branch1][C][C][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O] |
CHEMBL4292718 | [C][/C][=C][/C][=Branch1][C][=O][O][C@@H1][C][Branch1][C][C][=C][C@@H1][C][=Branch1][C][=O][C@][Branch1][S][C][=C][Branch1][C][C][C@H1][Branch1][C][O][C@@][Ring1][=C][Ring1][#Branch1][O][C@H1][Branch1][C][C][C][C@@H1][C@H1][Ring1][S][C][Ring1][Ring1][Branch1][C][C][C] |
CHEMBL4292719 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] |
CHEMBL4292720 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][P][Ring1][#Branch1] |
CHEMBL4292721 | [C][O][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] |
CHEMBL4292798 | [C][C][C@H1][Branch1][C][C][C@@H1][C][=Branch1][C][=O][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C] |
CHEMBL4292799 | [C][C][=C][O][C][=C][C][=C][C][=C][Branch2][Ring1][#C][C][Ring1][=Branch1][=C][NH1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=N][C][Ring1][N][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2][C][C][C][C][Ring2][Ring1][Ring2][Branch1][C][C][C] |
CHEMBL4292800 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=C][C][=C][N][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Ring1][#Branch2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][N][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4292801 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=C][Branch1][P][/C][=C][/C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4292876 | [O][=C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][/C][Ring1][#Branch2][=C][/C][NH1][N][=C][C][=Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4292877 | [C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][N][C][=Ring1][#C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][N] |
CHEMBL4292878 | [C][O][C][C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][N][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch1][Branch1][C][C][C] |
CHEMBL4292879 | [C][C][Branch1][C][O][Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
CHEMBL4292880 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][=C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][#C][C@H1][Ring2][Ring1][#Branch2][N][C][Branch1][C][C][=O] |
CHEMBL4292959 | [C][C][N][C][=Branch1][C][=O][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1] |
CHEMBL4292960 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch2][O] |
CHEMBL4292961 | [C][C][C][C][C][C][C][N][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=N][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2] |
CHEMBL4292962 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4292963 | [C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][C][=Branch1][C][=O][N][C@@H1][C][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C@@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][Branch1][C][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][Branch1][C][N][C][Branch1][C][O][C@@H1][Ring2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Ring2][Branch1][Branch2][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Ring2][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring2][Branch1][Ring2][=O] |
CHEMBL4292964 | [C][N][C][C][N][Branch2][Branch1][#Branch1][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=N][C][C][Ring2][Ring2][#Branch1] |
CHEMBL4293050 | [C][C][Branch2][Ring2][Branch1][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293051 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][N][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][O][C][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][#C][=C][Ring2][Ring2][Branch1] |
CHEMBL4293052 | [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][=N][N][=C][N][Ring1][Branch1][C][C][C][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][=Branch1][=O] |
CHEMBL4293053 | [N][C][=Branch1][C][=O][C][N][=C][NH1][C][=Ring1][Branch1][N][/N][=N][/C][C][C][=C][S][C][=Ring1][Branch1] |
CHEMBL4293054 | [C][N][C][=C][C][=C][Branch2][Ring2][#C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][O][C][=C][N][=C][Ring2][Ring2][C][Ring2][Ring2][Branch1] |
CHEMBL4293055 | [C][C][C][Branch1][C][C][N][N][=C][N][Branch2][=Branch1][Branch2][C][=C][C][=C][Branch2][Branch1][N][N][C][C][N][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][C@@H1][C][O][C@@][Branch1][#Branch2][C][N][N][=N][N][=C][Ring1][Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][C][C][=C][Ring2][Ring2][Branch2][C][Ring2][Ring2][=N][=O] |
CHEMBL4293056 | [C][N][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][NH1][Ring1][=N][S][Ring2][Ring1][C] |
CHEMBL4293057 | [O][=C][Branch2][Ring1][Branch2][N][N][C][=Branch1][C][=O][C][S][C][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4293058 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch2][Ring1][C][N][C][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][Ring1][O][N][=C][Branch1][P][N][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][O][=C][Ring2][Ring1][#C] |
CHEMBL4293140 | [C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][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][C][Branch1][C][C][C] |
CHEMBL4293141 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][#Branch1][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@@H1][C][C@@][Branch1][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][F][C][C][C@][Ring2][Ring1][Branch2][Branch1][C][C][C][C][C@][Ring2][Ring1][=N][Ring2][Ring2][Ring1][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][#C][=O] |
CHEMBL4293142 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][C][O][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4293143 | [O][=C][Branch2][Ring1][=C][N][C][=C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][C][C][C][Ring1][=Branch1][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Cl][NH1][Ring1][#Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4293144 | [C][O][C][=C][Branch1][#C][O][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][C][O][=C][C][C][=C][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring2][=Ring1][#Branch1] |
CHEMBL4293145 | [C][=C][=C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][N][N][C][=N][C][=C][C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][S][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch2][O][C@H1][C][C][O][C][Ring1][Branch1] |
CHEMBL4293146 | [C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][=Branch1] |
CHEMBL4293226 | [C][C][C][C][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][=Branch2][S][Ring1][N][Branch1][#Branch1][C][C][C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][Branch2] |
CHEMBL4293227 | [C][C][Branch1][C][C][=C][C][C@@][Branch1][C][C][C@H1][Branch1][O][C][C][C][=Branch1][C][=O][C@@H1][Ring1][Branch2][C][C][C][Ring1][=N][=O] |
CHEMBL4293228 | [C][N][Branch1][C][C][C][=C][C][=N][C][Branch2][Ring1][P][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][Branch1][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][N][Ring1][Branch2][C][C][C][Ring1][=C][=C][Ring2][Ring1][Branch2] |
CHEMBL4293229 | [C][O][C][C][C][C][C][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][S][C][=Ring1][=N][Ring1][P] |
CHEMBL4293230 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][Branch2][Ring1][C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4293315 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] |
CHEMBL4293316 | [C][C][Branch1][C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] |
CHEMBL4293317 | [C][C][C][=C][Branch2][Branch1][=Branch1][C][N][C][=Branch1][C][=O][N][Branch1][N][C][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][O][N][Branch1][C][C][N][=Ring2][Ring2][C] |
CHEMBL4293318 | [C][C][Branch1][C][C][C][Branch2][Branch1][#Branch1][/C][=C][/C][=C][Branch1][C][Cl][/C][=Branch2][Ring2][=Branch1][=C][/C][=C][/N][Branch1][=N][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][Branch1][C][C][C][C][C][C][Ring2][Ring1][=N][=N+1][Branch1][=N][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][Ring2][Branch1][C].[Na+1].[Na+1] |
CHEMBL4293319 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][NH1][C][=C][Ring1][=N][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL4293320 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring2][Ring1][=C][Ring1][O][C] |
CHEMBL4293392 | [C][C][C][C][C][C][O][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4293393 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
CHEMBL4293394 | [C][C][C@H1][Branch1][C][C][C@@H1][C][=Branch1][C][=O][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] |
CHEMBL4293395 | [O][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293396 | [C][O][C][C][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] |
CHEMBL4293485 | [Cl][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][S][Ring1][#Branch2] |
CHEMBL4293486 | [C][=C][C][C][C@@H1][C@][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][C][C@@][Ring2][Ring1][C][Branch1][C][C][C@@H1][Ring2][Ring1][#Branch1][/C][=C][/C][=C][C][O][C][Ring1][Branch1][=O] |
CHEMBL4293487 | [O][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P] |
CHEMBL4293488 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][C][C][=C][Ring1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][C][=N][C@@H1][Branch1][C][C][C][Ring1][Branch2] |
CHEMBL4293572 | [O][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][=C][C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][C][C][C][Ring1][Ring2] |
CHEMBL4293573 | [O][=C][Branch1][#Branch1][C][C][O][C][Ring1][Ring2][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=C][C][=C][C][Branch1][Branch2][C][N][=C][O][N][=Ring1][Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][=N] |
CHEMBL4293574 | [C][C][=Branch1][C][=O][O][C@H1][C][=C][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][Ring1][C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][C][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C@@H1][Ring2][Ring1][C][Ring2][Ring1][=N] |
CHEMBL4293575 | [C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2] |
CHEMBL4293576 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][F][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1] |
CHEMBL4293654 | [C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][O][N][C][C][C][=C][C][=C][S][Ring1][Branch1][=N][C][=N][Ring1][=C] |
CHEMBL4293655 | [C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][O][C@][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][O][C][C@][Branch1][C][C][C][=Branch2][Branch1][=N][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][Branch2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=N][O][C@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring2][Ring1][=Branch2][C][C][C@][Ring2][Ring1][=N][Ring2][Ring2][C][C][C@@H1][Ring2][Ring2][=N][C][C][Ring2][Branch1][C][Branch1][C][C][C] |
CHEMBL4293656 | [C][C][=C][C][=C][Branch2][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4293657 | [C][=C][C][N][C][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4293658 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][O][C][=C][C][=Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CHEMBL4293659 | [O][=C][Branch2][Ring1][#C][C][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][C][Ring1][N] |
CHEMBL4293660 | [C][O][C][=C][C][=N][C][Branch1][S][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch2][=N][C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring1][P][O][C] |
CHEMBL4293661 | [O][=C][C][=C][Branch2][Ring1][P][O][C][Branch2][Ring1][Branch2][C][=C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=N][Ring1][=N][C][Ring2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][O] |
CHEMBL4293662 | [C][N][Branch2][Branch1][S][C][C][N][Branch1][C][C][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2] |
CHEMBL4293663 | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][O][/C][Ring1][N][=N][\C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4293746 | [O][=C][Branch1][N][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][P][=O] |
CHEMBL4293747 | [C][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][Branch1][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][N][C][C][C@][Ring2][Ring1][Branch2][Ring2][Ring1][=N][C][C][Ring2][Ring2][#Branch1][Branch1][C][C][C] |
CHEMBL4293748 | [C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][Branch2][S][C][C][Branch1][C][C][C][C][=C][Ring1][O][S][Ring1][=C] |
CHEMBL4293749 | [O][=C][Branch1][#Branch1][C][C][O][C][Ring1][Ring2][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4293750 | [C][C][C][=C][NH1][C][=Branch1][C][=O][C][=N+1][Ring1][#Branch1][O-1] |
CHEMBL4293751 | [O][=C][NH1][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2] |
CHEMBL4293835 | [C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Ring1][Ring1][N] |
CHEMBL4293836 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][Ring1][C][=N][C][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring1][=Ring1][#C][=C][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4293837 | [C][=C][C][C@][C][C@@][Ring1][Branch1][Branch1][C][O][C][C][C@H1][Ring1][#Branch1][C@@][C][=C][C@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][#Branch2][C@H1][Ring1][O][C@@H1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4293838 | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][Branch1][C][C][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][O][Ring1][#Branch1][=C][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4293839 | [C][C@][C][C@@][C][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C@@H1][Ring2][Ring1][S][C@H1][Branch1][#Branch2][C][C@H1][Ring2][Ring2][Branch1][C][Ring2][Ring2][Ring2][O][Ring2][Ring2][#Branch1] |
CHEMBL4293840 | [C][C][C][Branch1][Branch2][O][C][C@@H1][Branch1][C][C][O][=C][N][N][=C][N][=C][Branch2][Ring2][O][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][F][C][=Ring2][Ring2][=Branch1][Ring2][Ring1][=C] |
CHEMBL4293841 | [C][C][=C][C][Branch2][Ring1][N][/C][=C][\C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#Branch1][F] |
CHEMBL4288867 | [C][C][#C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4288868 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring2][Branch1][C][=C][N][Branch2][Ring1][#Branch2][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][=N][C][=N][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2] |
CHEMBL4288869 | [C][C][C][Branch1][C][C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] |
CHEMBL4288870 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4288871 | [C][C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4288967 | [C][C][C][C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][\S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL4288968 | [C][C][Branch1][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][P][N][C][=C][C][Branch1][C][F][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][#Branch2] |
CHEMBL4288969 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][O][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=C][Ring1][O] |
CHEMBL4288970 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][/C][=C][/C][=C][C][Branch1][C][Cl][=C][C][Branch1][O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4289053 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][C][C@H1][C@@][Branch1][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][C][C@][Ring1][#C][Ring1][O][C] |
CHEMBL4289054 | [C][#C][C@@][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch2][Ring1][O][N][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][=N][Ring1][S][C@@H1][Ring2][Ring1][Branch2][O] |
CHEMBL4289055 | [C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch1][C][C][C][=Branch1][=Branch2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C@@H1][Ring1][O][C] |
CHEMBL4289056 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P] |
CHEMBL4289131 | [C][C][=C][C][=C][Branch1][P][C][S][C][=Branch1][C][=S][N][C][C][C][C][S+1][Branch1][C][C][O-1][C][=C][Ring2][Ring1][C] |
CHEMBL4289132 | [C][C][Branch1][C][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][/C][=Branch1][=N][=N][/N][=C][/N][C][=Branch1][C][=O][C][S][Ring1][=Branch1][C][Ring1][#C] |
CHEMBL4289133 | [C][O][C][=C][C][Branch2][Ring2][Branch2][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S][O][C] |
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