chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4277863 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][N][C][=N][O][N][=C][Ring1][Branch1][/C][=Branch1][Ring1][=N][/O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2][C][=N][Ring2][Ring1][=N] |
CHEMBL4277864 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4277865 | [C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4277964 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4277965 | [C][C][Branch1][C][C][=C][C][=Branch1][C][=O][/C][=C][Branch1][C][/C][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][=Branch1][=C][O][C@@H1][O][C@H1][Branch2][Ring1][Branch1][C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Ring2][Ring1][=C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Branch1][Ring1][C][C][C@][Ring2][Branch1][#Branch1][Ring2][Branch1][=N][C] |
CHEMBL4277966 | [O][=C][Branch1][Branch1][N][C][C][Cl][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4277967 | [F][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][C][N][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O] |
CHEMBL4277968 | [C][C][=C][C][=C][Branch2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][N][/N][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=C] |
CHEMBL4277969 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][Branch2][C][O][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][C][O][C][N][Branch1][P][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][F][C][Ring1][#C][C][Branch1][C][Cl][=C][Ring2][Ring1][=Branch1] |
CHEMBL4277970 | [C][O][C][=C][C][=C][Branch2][=Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C@@H1][C][C@H1][C@@H1][Branch1][Ring2][C][Ring1][Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring2][=C] |
CHEMBL4278056 | [C][C][C][=C][S][C][=Ring1][Branch1][C@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][Ring2][Ring1][Ring2] |
CHEMBL4278057 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][#Branch1][S][C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][N][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4278058 | [C][O][C][=C][C][Branch2][Branch1][=C][C@@H1][C][=C][C][=C][Branch2][Ring2][S][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][N][=N][Ring1][N][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][=C][O][C][O][Ring2][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch2][O][C] |
CHEMBL4278059 | [F][C][=C][C][=C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4278060 | [C][C][=C][C][Branch2][Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][C@H1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=N][=N][O][Ring2][Ring2][Branch1] |
CHEMBL4278147 | [C][O][C][=C][Branch1][=N][/C][=C][/C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring2][Ring1][#Branch1][O][C][O][Ring1][Branch1] |
CHEMBL4278148 | [C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][N][=C][NH1][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][#Branch2] |
CHEMBL4278149 | [C][C][=C][C][=C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring2][Ring1][#Branch2][=O][C][Branch1][C][C][=C][Ring2][Ring2][Branch1] |
CHEMBL4278150 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4278151 | [O][=C][Branch2][Ring1][S][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][#C][N][Se][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][=C][Ring1][S][N][O] |
CHEMBL4278152 | [C][O][C][=C][C][=C][Branch2][Ring2][N][N][C][=C][Branch2][Ring1][P][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4278236 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][O][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4278237 | [N][=C][Branch2][Ring1][#C][N][C@H1][C][C][C][=C][C][=C][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][#C][Ring2][Ring1][C][S][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] |
CHEMBL4278238 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][C][Cl][=C][Ring1][N] |
CHEMBL4278239 | [C][O][C][=C][C][=C][Branch1][S][/C][=N][/N][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring2][Ring1][C] |
CHEMBL4278241 | [C][O][C][=C][C][=C][O][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1] |
CHEMBL4278330 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4278331 | [N][C][=N][C][O][C][=C][C][=C][Branch1][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][=N][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4278332 | [C][C][Branch1][C][C][Branch1][C][C][C@H1][N][C][C][C][C][=C][Branch2][Ring1][Branch2][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][NH1][Ring1][=N][S][C][Ring2][Ring1][C][Ring2][Ring1][=Branch1] |
CHEMBL4278333 | [C][C][Branch1][C][C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][=C][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4278334 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278335 | [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][#C][N][C][C][C][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][O][=C][Ring2][Ring1][#C] |
CHEMBL4278420 | [C][C@@H1][Branch2][Ring2][Ring2][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] |
CHEMBL4278421 | [C][O][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][N][Ring1][#C][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL4278422 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4278423 | [C][C][O][C][=Branch1][C][=O][/C][=Branch1][P][=C][Branch1][C][\N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring2][Ring1][C] |
CHEMBL4278502 | [N][#C][C][=C][C][=C][Branch2][Ring2][P][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S][C][=C][Ring2][Ring1][P] |
CHEMBL4278503 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][#C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4278504 | [Cl].[Cl].[C][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][C][=C][Ring1][O][S][C][C][O][C][C][S][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL4278587 | [Cl].[O][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=N][C][=C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][=N][O][Ring1][S] |
CHEMBL4278588 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][Branch1][C][O][Branch2][Ring1][Ring1][/C][=C][/C][N][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][N] |
CHEMBL4278589 | [C][O][C][=C][C][Branch2][Ring1][N][C][=C][C][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C].[Na+1].[Na+1] |
CHEMBL4278674 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F][O][C][=C][Ring1][=N][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL4278675 | [C][N][C][=N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][=Branch2][Ring1][#Branch2] |
CHEMBL4278676 | [C][S][C][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][S][C][C][=Branch1][C][=O][O] |
CHEMBL4278677 | [C][O][C][=C][C][Branch2][Branch1][#Branch2][C@@H1][C][=C][C][=C][Branch2][Ring2][N][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=N][Ring1][#Branch2][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][N][O][C][O][Ring2][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O][C] |
CHEMBL4278678 | [O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][Se][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4278763 | [N][C][Branch2][Branch1][#Branch1][C][=C][C][=C][Branch2][Ring2][O][C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=N][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][C][C][C][Ring2][Ring1][P] |
CHEMBL4278764 | [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][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL4278765 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][S][O][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Ring2][#C][Branch1][C][C][O] |
CHEMBL4278766 | [C][=C][Branch2][Ring2][C][C][N][C][=N][C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][=N][Ring1][P][C][=Branch1][C][=O][O][C][C] |
CHEMBL4278767 | [C][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N] |
CHEMBL4278846 | [C][C][Branch1][C][C][=C][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][Branch1][=N][/N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] |
CHEMBL4278847 | [C][O][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch2][Ring1][Ring2][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][Ring1][O][C] |
CHEMBL4278848 | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][=C][Branch1][C][N][O][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P][Br] |
CHEMBL4278849 | [C][O][C][=C][C][=C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=S][C][=C][Ring2][Ring1][#C] |
CHEMBL4278850 | [C][C][=N][C][=C][Branch1][#C][C][C][=C][C][=C][C][Branch1][Ring2][C][C][O][=C][Ring1][=Branch2][C][Branch1][C][N][=N][Ring1][P] |
CHEMBL4278928 | [O][=C][C][=C][Branch2][Ring1][#Branch1][S][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][O] |
CHEMBL4278929 | [C][C][C][Branch1][O][O][C][C][Branch1][C][C][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] |
CHEMBL4278930 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring2][C][Ring2][Ring1][=C] |
CHEMBL4278931 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][O][/C][=N][/N][C][=Branch1][C][=O][C][C][#N][C][Ring1][=N][=C][Ring1][P] |
CHEMBL4278932 | [O][=C][Branch2][Ring1][=N][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][N][C][=C][N][=C][Ring1][Branch1] |
CHEMBL4278933 | [F][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring2][C][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#C] |
CHEMBL4278934 | [C][O][C][O][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][C][=C][Branch2][Branch1][S][C][=C][C][=C][Branch2][Branch1][Ring2][O][C][C][C][C][=C][N][Branch2][Ring2][Branch1][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][#C][C][=C][Ring2][Ring2][=Branch2][O][C][Ring2][Ring2][S][=C][Ring2][Branch1][N] |
CHEMBL4279011 | [C][O][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] |
CHEMBL4279012 | [C][C][Branch1][C][C][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][O][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] |
CHEMBL4279013 | [N][C][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4279014 | [O][=C][C][=C][Branch2][Ring2][Branch2][C][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring2][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][N][O] |
CHEMBL4279016 | [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][N][C][C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][=N] |
CHEMBL4279017 | [C][C@@][C][C][C@H1][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C][C][=C][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=C][C@H1][Ring2][Ring1][#Branch2][C][C][C@][Ring2][Ring1][=C][Branch1][#Branch1][C][C][Ring2][Ring2][Ring1][=O][C][Ring2][Ring2][Branch1] |
CHEMBL4279102 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][/C][=N][/N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] |
CHEMBL4279103 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][N][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1].[Cl] |
CHEMBL4279104 | [C][C][C][C][C][=N][C][Branch1][C][C][=C][Branch1][O][C][C][=Branch1][C][=S][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=C][C][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S] |
CHEMBL4279105 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][Branch1][Ring2][Ring2][C] |
CHEMBL4279106 | [C][C][N][=C][Branch1][C][N][S][C][=Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][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] |
CHEMBL4279184 | [C][C@][C][C][C@H1][C@@H1][Branch2][Ring1][Branch1][C][=C][Branch1][Ring1][C][#N][C@H1][C][C@@H1][Branch1][C][O][C][C][C@@][Ring1][#Branch1][Ring1][=N][C][C@@H1][Ring2][Ring1][C][C][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4279185 | [C][C][=C][O][C][=C][Branch1][C][C][C][=C][C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][S][C][=C][Ring2][Ring2][O][N][=C][Ring2][Ring2][#C][C][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][P][C][=C][Branch1][C][N][C][Ring2][#Branch1][=Branch2][=O] |
CHEMBL4279186 | [C][C][C][C][C][C][C][N][C][Branch1][Branch1][C][C][C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4279187 | [C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][C][O][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279188 | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4279274 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4279275 | [C][C][C][Branch1][C][C][C][Branch1][C][C][=N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=N][Ring1][=N][=N][C][=C][Ring2][Ring1][Ring2][F][C][=C][Ring2][Ring1][O][Ring2][Ring1][S] |
CHEMBL4279276 | [C][C][C][C][C][C][C][=C][C][=C][Branch2][#Branch1][O][C][=C][C][=C][Branch2][=Branch1][#C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][=C][N][Branch1][Branch1][N][=N][Ring1][Branch1][C][C][C][N][C][C@@H1][O][B][Branch1][Branch2][O][C@@H1][Ring1][Branch1][C][Ring1][Branch2][C@H1][Branch1][C][C][N][C][Ring2][Ring1][=Branch1][=O][C@@H1][Branch1][C][C][O][C][=C][Ring2][Branch1][Ring2][C][=C][Ring2][Branch1][#Branch2] |
CHEMBL4279277 | [C][S+1][Branch1][C][O-1][/C][=C][/C][C][N][C][=Branch1][C][=S][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4279278 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4279363 | [O][=C][C][C][C][=C][C][Branch2][Ring1][=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][Ring2][Ring1][=Branch2][N][Ring2][Ring1][=N][C][C][Ring1][Branch1] |
CHEMBL4279364 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][=C][Ring1][#C] |
CHEMBL4279365 | [C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O] |
CHEMBL4279366 | [O][=C][Branch1][P][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Ring2] |
CHEMBL4279367 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch1][P][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][Ring1][#Branch2][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL4279450 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][=C][C][=Branch2][Ring1][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][Branch1][C][C][C][Ring1][#C][=Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][P] |
CHEMBL4279451 | [C][=C][C][C@H1][/C][=C][Branch1][C][\C][C][C@@H1][Branch1][#C][C@H1][Branch1][C][O][N][C][=Branch1][C][=O][/C][=C][\C][=C][\C][O][C][=Branch1][C][=O][C][/C][=C][/C][=C][Branch1][C][/C][C][C][=Branch1][C][=O][/C][=C][\C][C@@H1][Branch1][Branch1][C][Ring2][Ring2][Ring1][O][Ring2][Ring2][C] |
CHEMBL4279452 | [C][O][C][C][Branch1][C][C][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=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][=Branch1] |
CHEMBL4279453 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4279454 | [O][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Ring1][P][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=C] |
CHEMBL4279538 | [Cl].[Cl].[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][N][O][C][C][O][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][N] |
CHEMBL4279539 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][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@@H1][Branch1][C][C][C@H1][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] |
CHEMBL4279540 | [C][C][#C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C@H1][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4279541 | [F][C][=C][C][=C][Branch2][Ring1][#C][C][O][C][=C][N][=C][C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][O][=C][Ring1][P][C][Branch1][C][Cl][=C][Ring2][Ring1][#Branch2] |
CHEMBL4279627 | [N][C][O][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][C][=C][Ring1][N][C][=Ring1][#C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] |
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