chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4205004 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][C@@H1][N][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][O][N][=N][Ring1][=N] |
CHEMBL4205098 | [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4205099 | [O][=C][C][C][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][N][=C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4205100 | [N][C@@H1][C][C][C][N][Branch2][Ring1][P][C][=C][C][=Branch1][C][=O][N][N][=C][C][=C][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Ring2][Ring1][#Branch2] |
CHEMBL4205101 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][C][C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring2][Ring1][=N] |
CHEMBL4205193 | [C][=C][C][C][C][C@@][Branch1][C][C][Branch1][Ring1][C][O][C][C][C][C@][Ring1][=Branch2][Branch1][C][C][C@H1][Ring1][=C][C][C][/C][Branch1][C][C][=C][/C][=Branch1][C][=O][O] |
CHEMBL4205194 | [C][N][C][C][N][Branch2][Ring2][Branch1][C][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][C][O][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4205195 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL4205196 | [O][=C][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][N][=C][C@@H1][C][C][C][N][Ring1][=C][Ring1][Branch1][O][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][C][C][C][C][C][C][C][C][C][C][O][Ring2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][Ring2]... |
CHEMBL4205197 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][=C][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4205285 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S]... |
CHEMBL4205286 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][C][=C][Branch1][C][C][N][=C][C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][Ring2][Ring1][Ring1][Ring1][#C][C][=C][Ring2][Ring1][=Branch2].[Cl] |
CHEMBL4205287 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch... |
CHEMBL4205288 | [N][#C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][C][C][=C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=Ring1][=C][C][=C][Ring2][Ring1][Branch2][F] |
CHEMBL4205289 | [N][#C][C][=C][C][=N][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][S][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][N][=C][Ring1][=Branch1][=C][C][=C][C][=C][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][=C][Ring2][Ring1][N] |
CHEMBL4205385 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C@H1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C@@H1][Ring1][=N][C][C][=C][Ring2][Ring1][Ring2][O][C] |
CHEMBL4205386 | [C][O][C][=C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][=Branch1][C][=O][C@H1][Ring2][Ring1][C][C@H1][C][=C][Branch1][#C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][O][C][O][C@][Ring1][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Br... |
CHEMBL4205387 | [C][O][C][C][C][N][C][C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][N][Ring1][N][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4205388 | [C][O][C][=C][C][Branch2][Branch1][Branch1][/C][=N][/N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2][=C][C][Branch1]... |
CHEMBL4205389 | [C][C][Branch1][C][C][C][=C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][S][Ring1][=N] |
CHEMBL4205392 | [C][=C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring2][C][C][=N][C][Branch1][=C][N][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][O][C][=C][N][=C][N][Branch1][Ring1][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][C][C@H1][Ring2][Ring1][=Branch2][F] |
CHEMBL4205484 | [C][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][/C][Branch1][C][N][=N][/O][C][=C][Ring1][#Branch2][O][Ring2][Ring1][P] |
CHEMBL4205485 | [C][=C][C][O][C@H1][C][C@@H1][Ring1][=Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C] |
CHEMBL4205486 | [O][=N+1][Branch1][C][O-1][C][=C][C][=N][S][N][=C][Ring1][Branch1][C][=C][Ring1][=Branch2][C][#C][C][C][C][C][Cl] |
CHEMBL4205487 | [C][=C][C][=Branch1][C][=O][N][C@@H1][C][N][C][=Branch2][Ring1][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][P][C][Ring2][Ring1][Ring2][=C] |
CHEMBL4205579 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C@H1][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][F][=C][Ring1][N] |
CHEMBL4205580 | [O][=C][Branch2][Ring1][O][N][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL4205581 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][C][Cl][=N][C][=C][C][=N][N][Ring1][Branch1][C][=Ring1][#Branch2][N][C][C][C][C@@H1][Branch1][C][N][C][Ring1][#Branch1] |
CHEMBL4205582 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch2][Ring2][C][O][C][C][=C][N][Branch2][Ring1][Branch1][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][N][=N][Ring2][Ring1][Ring1][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][=C] |
CHEMBL4205583 | [N][#C][C][=C][C][=C][Branch2][Ring2][P][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][C][C][C][C][C][C][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][O][S][Ring2][Ring1][S][C][=C][Ring2][Ring2][=Branch1] |
CHEMBL4205585 | [S][=C][NH1][N][=C][Branch1][=C][/N][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][=C] |
CHEMBL4205586 | [C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][N][Branch2][Ring2][P][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring... |
CHEMBL4205670 | [C][C][Branch1][Ring1][C][#N][C][C][N][Branch2][Branch1][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][N][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Ring1][=Branch2][Ring1][#Branch1][C][C][Ring2][... |
CHEMBL4205671 | [C][C][=C][C][=C][C][Branch2][Ring2][#Branch2][C][C][=N][NH1][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][C][=C][Ring2][Ring1][N] |
CHEMBL4205673 | [C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring1][C][C][C][C][N][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O]... |
CHEMBL4205674 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] |
CHEMBL4205756 | [O][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][=C][N][Ring1][O][C][C][C@@H1][Ring1][Branch1][O] |
CHEMBL4205757 | [C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring2][Ring1][=Branch1] |
CHEMBL4205758 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][N][=C][Branch1][C][N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][Ring2][Ring1][=C] |
CHEMBL4205759 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][/N][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4205860 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4205861 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][C][=C][C][Branch1][P][O][C][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C] |
CHEMBL4205862 | [S][=C][Branch1][#C][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4205863 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][P][O][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C][C][Ring1][S][C@H1][Branch1][Ring1][C][O][N][Branch1][C][C][C][Ring2][Ring1][#Branch2][=O] |
CHEMBL4205954 | [O][=C][Branch2][Ring2][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4205955 | [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][Ring1][=Branch1] |
CHEMBL4205956 | [N][C][=N][C][=C][Branch2][Ring1][Branch2][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][Ring1][Branch2][Branch1][C][Br][Br][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring2] |
CHEMBL4205957 | [C][N][N][=C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][=Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2] |
CHEMBL4205958 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][Ring1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4206051 | [O][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][S+1][Branch1][C][O-1][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4206053 | [O][=C][Branch1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Ring2][Ring1][Ring2] |
CHEMBL4206054 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][C][C][C][C][Ring1][Ring1] |
CHEMBL4206055 | [O][=C][Branch2][Ring1][Branch2][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][O] |
CHEMBL4206140 | [N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=C][C][=N][C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Ring1][=C][=Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] |
CHEMBL4206141 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][S][S][C][C@@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][N][C][=Branch... |
CHEMBL4206142 | [C][C][Branch1][C][C][C][O][C][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=Branch1][C][=O][N][C][=Ring2][Ring1][C][S][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
CHEMBL4206143 | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=Branch1][Branch1][=C][Ring1][#C][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C@H1][Branch1][Ring2][C][Ring1][S][N][Branch1][C][C][C][C][Ring1][Branch2] |
CHEMBL4206144 | [N][#C][C][=C][C][=C][N][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][=C][Ring1][#C][S][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL4206145 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring2][N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][=Branch1][=C][C][N][=C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][NH1][C][Ring2][Ring1][N][=Ring1][=C][O][Ring2][Ring1][S] |
CHEMBL4206230 | [O][=C][Branch2][Ring2][=Branch2][N][C][C][=N][N][=C][Branch2][Ring1][N][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][Ring1][P][=Ring1][=N][O][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4206231 | [C][O][C][=C][C][Branch2][Ring2][=N][C@@H1][C][=C][C][=C][Branch2][Ring1][#C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][=Branch1][O][C][O][Ring2][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ri... |
CHEMBL4206232 | [N][#C][C][=C][Branch1][C][N][N][=C][Branch1][O][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][Ring1][P][C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][=C][Ring1][O] |
CHEMBL4206233 | [C][C][C][=C][N][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][N][=Ring2][Ring1][Branch2] |
CHEMBL4206234 | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][=C][Ring1][#C] |
CHEMBL4206334 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][N][=N][Ring2][Ring1][C] |
CHEMBL4206335 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][N][C][=C][Branch2][Ring2][Branch2][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][N][=N][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Ring2] |
CHEMBL4206337 | [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][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][C][B... |
CHEMBL4206338 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Ring1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4206339 | [Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C@@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][O][Ring1][N] |
CHEMBL4206340 | [C][C][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring2][=N][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C@H1][O][C@][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C@][Ring1][Branch2][Branch1][C][C][C@H1][Ring1][=C][C][C][C@... |
CHEMBL4206341 | [C][O][C][=C][C][Branch2][=Branch1][Branch2][C][O][C][=C][C][Branch2][Branch1][Ring1][C@H1][O][C][=C][C][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][... |
CHEMBL4206342 | [C][N][C][=Branch1][C][=O][C][N][=C][N][Branch2][Ring1][=N][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C][Ring1][#Branch2][C][=Ring2][Ring1][Branch1][N][Branch1][C][C][C][Ring2][Ring1][O][=O] |
CHEMBL4206426 | [C][=C][C][C@H1][C@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C@][Ring1][S][Branch1][C][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@][Ring2][Ring1][=Branch2][Branch1][C][C][C][=Branch1][C][=O][C@][Branch1][C]... |
CHEMBL4206428 | [N][#C][Se][C][C][O][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1] |
CHEMBL4206429 | [C][O][C][=C][C][=C][C][Branch1][P][C][=N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][Ring1][#Branch2][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4206430 | [O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4206431 | [C][O][C][=C][C][=C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][N][=N][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][C][=Ring1][=C] |
CHEMBL4206432 | [O][=C][N][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][=C][Ring2][Ring1][=Branch2][C][=N][N][Ring2][Ring1][=C][C][C][C][C][C][Ring1][Branch1] |
CHEMBL4206433 | [C][=C][C][O][C@@H1][C@@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring1][=Branch1][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] |
CHEMBL4206530 | [C][N][C][=Branch1][C][=Se][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL4206531 | [C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4206532 | [C][C][Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring2][#Branch1][O][C@@H1][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C@@H1][Ring2][Ring1][Ring2][F][=C... |
CHEMBL4206533 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][#Branch2] |
CHEMBL4206534 | [C][C][=N][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][S][Ring2][Ring1][Ring1] |
CHEMBL4206535 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][=Branch2][#Branch2][O][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][O][C][C][Branch2][Ring2][=Branch2][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][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][Br... |
CHEMBL4206633 | [Cl].[N][C][C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][=N] |
CHEMBL4206634 | [N][#C][/C][=Branch1][P][=N][\N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4206635 | [C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Ring2] |
CHEMBL4206636 | [O][=C][Branch2][Ring1][=Branch2][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][N][C][C][=C][C][=C][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=C][Ring1][O] |
CHEMBL4206637 | [C][O][C][=C][C][Branch2][O][C][/C][=C][/C][=Branch1][C][=O][C][Branch2][=Branch2][Ring1][C][C][=C][N][Branch2][Branch2][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][N][Branch2][=Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=O][C][C][N][C][C][N][Branch2][Branch1][Ring2][C][C][... |
CHEMBL4206728 | [O][=C][Branch2][Ring2][#Branch2][C][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][=Branch2][C][C][=C][C][Branch1][C][F][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][=Branch2][N][O] |
CHEMBL4206729 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][O][O][C][=C][C][Branch1][=Branch2][O][C][Branch1][C][C][C][O][C][=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][C][Branch1][C][C][C]... |
CHEMBL4206730 | [C][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4206731 | [C][O][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C][Branch1][C][O][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4206733 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][S][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][=N][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4206830 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4206831 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][#C][C][C][=C][Ring2][Ring1][#Bra... |
CHEMBL4206832 | [O][=C][Branch2][Ring1][Branch1][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Branch1][Ring2][O][C][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring2][C][C][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][C][C]... |
CHEMBL4206833 | [C][O][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][=Branch1][N][C][=N][C][=C][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][Ring1][=C][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][N][=O] |
CHEMBL4206834 | [C][C][Branch1][C][C][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C]... |
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