chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4289733 | [C][C][N][C][=C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][P] |
CHEMBL4289734 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][C][Br][C][=C][Ring1][=Branch2][C][Ring1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4289825 | [O][=C][Branch2][Ring1][P][N][C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4289826 | [C][C][C][C][N][C][=C][C][=N][C][Branch1][C][C][=N][C][Branch1][P][N][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring1][P][Ring2][Ring1][Ring2].[Cl] |
CHEMBL4289827 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][Cl] |
CHEMBL4289828 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][#C] |
CHEMBL4289907 | [O][=C][Branch2][Ring1][N][N][C@@H1][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4289908 | [C][N][Branch1][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4289909 | [O][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O] |
CHEMBL4289910 | [Cl].[O][=C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4289911 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=N][Ring1][N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2][O][C] |
CHEMBL4289996 | [C][C][Branch1][S][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4289997 | [C][O][C][=C][C][Branch2][Ring1][O][C][N][Branch1][#Branch1][C][C][C][C][C][O][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Branch2][O] |
CHEMBL4289998 | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=C][Branch2][Ring1][P][C][=C][C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][=C][N][=C][Ring1][O][N][C][C][C][C][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][Branch2][C][=N][Ring2][Ring2][Ring1] |
CHEMBL4289999 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring1][C] |
CHEMBL4290000 | [C][C][C][C][N][C][=Branch1][C][=N][C@@H1][Branch2][Ring2][P][C@H1][Branch1][O][C][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][O][C][Ring2][Ring2][Ring2][=O] |
CHEMBL4290001 | [O][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring2][Ring1][C] |
CHEMBL4290081 | [C][O][C][=C][C][Branch2][Ring1][O][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][C][NH1][C][=N][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][Ring1][S][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4290082 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4290083 | [C][=C][C][=Branch1][C][=O][C@@][C@@H1][Branch1][=N][C@@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch2][C@H1][Ring1][#Branch1][O][C@][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][C][C@H1][Ring2][Ring1][C][O][C@@H1][Ring1][N][O][C][C][C][N][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][S][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C][=O][N][=N][Ring2][Ring1][Branch1] |
CHEMBL4290084 | [C][O][C][=Branch1][C][=O][N][C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4290085 | [C][O][C][=C][Branch1][C][O][C][=C][C][Branch1][P][/C][=C][/C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][=C][Ring1][P][C][C][=C][Branch1][C][C][C] |
CHEMBL4290086 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch2][N][Ring1][Branch1][C][Branch1][C][C][C][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL4290176 | [C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][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] |
CHEMBL4290177 | [C][N][C][=N][/C][=Branch2][Ring1][N][=N][/C][=N][C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][N][Ring1][#C][C][C][=Branch1][C][=O][O][Ring2][Ring1][#Branch1] |
CHEMBL4290178 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][#C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4290179 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][O][N][C][C][N][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C][Ring1][S][N][=C][Ring2][Ring1][=Branch1][O][C][=C][Branch1][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C] |
CHEMBL4290260 | [C][=C][C][O][/N][=C][Branch1][O][\C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][S][C][Branch1][C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4290261 | [C][=C][C][=C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring1][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][#Branch2] |
CHEMBL4290262 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=N][NH1][C][Branch2][Ring1][C][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring1][S][C][Ring2][Ring1][#Branch1] |
CHEMBL4290263 | [C][N][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O] |
CHEMBL4290264 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Ring2][C][C][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][C@@][Ring1][=N][Ring1][Branch2][C][C@@H1][Ring2][Ring1][C][C][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4290345 | [C][S][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4290346 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=N][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][N][Ring2][Ring1][C] |
CHEMBL4290347 | [F][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1][F] |
CHEMBL4290348 | [C][#C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=Branch1][C][=O][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][Branch1][O][C][O][C][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4290349 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][#Branch2][N][C][=C][Branch2][Ring2][P][C][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][C][NH1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][C][Ring2][Ring1][Ring1][=Ring1][#C][C][C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring1][#C] |
CHEMBL4290447 | [C][/C][=Branch1][#C][=N][\N][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O] |
CHEMBL4290448 | [C][C][Branch1][C][C][O][C][=C][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=C][C][=C][Ring1][P][N][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4290449 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][O][N][C][=N][C][Branch2][Ring1][=N][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=N][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][=N][C][=C][Ring2][Ring1][=Branch2][F][=C][Ring2][Ring1][P] |
CHEMBL4290450 | [C][C@@H1][Branch2][Ring2][#C][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=N][C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][Ring1][O][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2][C][C][C][Ring1][Ring1] |
CHEMBL4290451 | [C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][S] |
CHEMBL4290525 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=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][=N] |
CHEMBL4290526 | [C][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][S][Ring1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4290527 | [C][C][Branch1][C][C][N][/C][=Branch1][S][=C][/N][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4290528 | [C][C][Branch1][C][O][Branch1][=N][C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL4290605 | [Cl][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][=C][Ring2][Ring1][N][Cl] |
CHEMBL4290606 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4290607 | [C][N][Branch1][C][C][C][C][/C][=C][\C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CHEMBL4290608 | [C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4290694 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][S] |
CHEMBL4290695 | [C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL4290696 | [C][N][C][=N][C][=C][Ring1][Branch1][C][N][C][C][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][C][Ring1][P] |
CHEMBL4290697 | [C][C@@H1][C][O][C@H1][C@@H1][Ring1][Branch1][C][C][C@H1][Branch1][C][C][C@][Ring1][#Branch1][C][=C][Branch1][Ring1][C][O][C][C][Ring1][#Branch1] |
CHEMBL4290698 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C@][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C@H1][Ring1][Branch2][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][C][C@@][Ring1][=C][Branch1][C][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][Ring2][Ring1][=C] |
CHEMBL4290781 | [C][C][=C][N][Branch2][Ring1][=N][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][=N][Ring2][Ring1][O] |
CHEMBL4290782 | [C][C][S][C][=C][C][=Ring1][Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][Branch2][#Branch2][=O] |
CHEMBL4290783 | [C][C][=C][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring2][S][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][I][C@][Branch1][C][O][C@@H1][Branch1][C][O][C][=C][C][=Branch1][C][=O][C@][Ring1][=Branch2][Branch1][C][C][C@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1][C][C][Ring2][Ring2][C] |
CHEMBL4290784 | [C][O][C][=Branch1][C][=O][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][P][C][Branch2][Ring1][Branch1][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=N][Ring2][Ring1][P] |
CHEMBL4290785 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][=Branch1][Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][N][=C][Branch2][Ring2][Branch1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O][C][N][=C][Ring2][Ring1][N][Ring2][Ring2][Branch1][=C][Ring2][Ring2][O] |
CHEMBL4290786 | [O][C][C@@H1][C][C][C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=C] |
CHEMBL4290787 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][N][Branch2][=Branch1][#Branch2][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C@H1][Branch1][C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][N][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1][C][C][C@][Ring1][=N][Branch1][C][O][C@@H1][Ring2][Ring1][Ring2][C][C][C@@H1][Ring2][Ring1][=Branch2][C][Ring2][Ring1][=N][Se][C][Ring2][Ring2][=C][=C][Ring2][Branch1][C] |
CHEMBL4290788 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4290789 | [C][C][C][=Branch1][C][=O][N][C][C][C][O][C@H1][C@H1][Branch2][=Branch1][S][O][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][Ring1][C][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][N][Branch1][C][C][C][C@H1][Branch1][C][C][C][C@@][Ring2][Ring2][=Branch1][Branch1][C][C][O][O][C@H1][Branch1][C][C][C][C@@H1][Ring2][Ring2][S][N][Branch1][C][C][C] |
CHEMBL4290883 | [C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][O][=C][C][=C][Ring2][Ring1][Branch2][F] |
CHEMBL4290884 | [C][C][=C][C][=C][C][Branch2][=Branch1][C][C][C][=C][C@@][Branch1][C][C][C][C][C@@][Branch1][C][C][C][C][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][O][C@][Ring1][S][Branch1][C][C][C][C][C@@][Ring2][Ring1][Branch1][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][Ring2][Ring1][P][=C][NH1][C][Ring2][Ring2][=Branch1][=C][Ring2][Ring2][#Branch2] |
CHEMBL4290885 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][=N][C][=N][S][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4290886 | [C][C][#C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C@H1][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][O][Ring1][N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4290887 | [O][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][N][C][C][Ring1][=N] |
CHEMBL4290976 | [O][=C][Branch1][Branch2][C][N][C][C][C][Ring1][Ring1][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4290977 | [C][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C@][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4290978 | [C][C][C][C][S][C][=C][C][=C][N][=C][Branch1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][S][C][Ring1][N][=C][Ring1][S] |
CHEMBL4290979 | [C][O][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4290980 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=N][C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring2][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring2][=Branch2][Ring2][Ring1][#C] |
CHEMBL4290981 | [O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][Ring1][=N][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch1] |
CHEMBL4290982 | [O][=C][/C][=Branch2][Ring1][#C][=C][/C][=C][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][Branch2][C][N][Ring2][Ring2][Ring1][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2] |
CHEMBL4291070 | [C][C][Branch1][C][C][C][N][C][C@@H1][Branch1][C][C][C@][Branch1][C][F][Branch2][Ring1][O][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][S][C][Ring2][Ring1][#Branch1] |
CHEMBL4291071 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] |
CHEMBL4291072 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][C@@H1][Ring1][#Branch1][C][C][C@@][Branch1][C][C][C@][Ring1][#Branch1][C][=C][C@@][Ring1][=Branch1][Branch1][=Branch1][C][Branch1][C][C][=O][C@@H1][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C] |
CHEMBL4291073 | [C][C@H1][Branch2][Ring1][#Branch1][O][C][=C][N][=C][C][Branch1][N][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][=C][Ring1][=N][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][Cl] |
CHEMBL4291074 | [C][C@H1][Branch2][Ring2][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][N][C][N][C][=N][C][=C][Branch1][Branch2][C][=C][C][=N][NH1][Ring1][Branch1][N][Branch1][C][C][N][=C][Ring1][O][C][Ring1][#C][=O][C][C][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291075 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4291153 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4291154 | [C][=C][C][=C][C][Branch2][Ring2][C][C][C][C][C][C][C][C][C][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N][=C][C][=Branch1][#Branch2][=N][C][Ring2][Ring1][#C][=C][Ring2][Ring2][Ring1][C][C][C][C][Ring1][=Branch2] |
CHEMBL4291155 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring2][#C][C@@][Branch1][C][O][C][C@][C][C][C@H1][C@@][Branch1][C][C][Branch1][S][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][=Branch1][C][=O][O][C][C@@H1][Ring1][S][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][C][C][Ring2][Ring1][Branch1][N][=N][Ring2][Ring1][=N] |
CHEMBL4291156 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][O][O][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=C][C][=C][Ring2][Ring1][S] |
CHEMBL4291157 | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring2][Ring2][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4291158 | [C][C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][C][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291159 | [C][=C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][/C][=C][/C@H1][Branch1][C][C][C][=Branch1][C][=O][C@@][Branch1][C][O][C][C@@][Branch1][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][Ring2][C@H1][Ring2][Branch1][Branch2][O][C][C][Branch1][C][C][C] |
CHEMBL4291160 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4291161 | [C][C][N][C][=Branch1][C][=O][O][C@H1][Branch1][Ring1][C][#N][C@H1][Branch1][O][C][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] |
CHEMBL4291247 | [O][=N+1][Branch1][C][O-1][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][N][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4291248 | [C][C][=N][C][Branch2][Ring1][=C][N][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][Ring1][#C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2][O] |
CHEMBL4291249 | [C][C][N][C][Branch1][S][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] |
CHEMBL4291250 | [C][C][O][C][=C][C][=C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch2][Ring1][Branch2][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][S] |
CHEMBL4291329 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][C][=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][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4291330 | [C][C][O][C][=C][C][=C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4291331 | [C][O][C][=C][C][=C][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][C][Branch2][Ring1][Branch1][/C][=C][\S][C][=Branch1][C][=S][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL4291332 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][/C][=C][/C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4291412 | [C][C][C][N][Branch2][Ring2][Ring1][C][C][Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring2][Ring1][O] |
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