chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4279531 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C@H1][Ring1][=C][N][C][C][Ring2][Ring1][C] |
CHEMBL4279532 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][S][C][Branch1][Branch2][N][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=N][=C][Ring2][Ring1][Ring2] |
CHEMBL4279614 | [C][N][C][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch2][C][S][C][=C][C][=Ring1][Branch1][Br][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@@H1][Ring2][Ring1][Ring1][C][Ring2][Ring1][Branch2][=O] |
CHEMBL4279615 | [C][C][C][S][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][N][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][S][C][Ring1][S][=N][Ring2][Ring1][P] |
CHEMBL4279616 | [C][O][C][=Branch1][C][=N][C][=N][C][=C][C][=C][N][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][Ring1][#Branch2][=C][Ring1][=C][S][Ring1][P] |
CHEMBL4279617 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] |
CHEMBL4279618 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring1][Ring1] |
CHEMBL4279709 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=N][/N][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][S][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4279710 | [C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][S][N][=N][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] |
CHEMBL4279711 | [C][=C][Branch1][C][C][C@@H1][C][C][=C][Branch2][Branch1][#Branch1][C][N][C][=C][Branch2][Ring2][O][C][O][C][=C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring2][O][C][N][=N][Ring2][Ring1][=N][C][C][Ring2][Ring2][Ring2] |
CHEMBL4279712 | [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][=S][C][S][Ring1][=Branch1][C][Ring1][#C] |
CHEMBL4279713 | [C][C][C][C][C][Branch2][Ring1][#Branch2][O][C][=N][C][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][Ring1][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C] |
CHEMBL4279808 | [Br][C][=C][C][=C][Branch2][Ring1][N][C][O][C][=C][C][=C][Branch1][S][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4279809 | [O][=C][N][/C][=Branch1][Ring1][=N][\O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][=C][Ring1][P][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2] |
CHEMBL4279810 | [C][N][Branch2][Branch1][Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][Ring1][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F] |
CHEMBL4279811 | [Cl].[Cl].[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4279812 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][P][=C][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1] |
CHEMBL4279813 | [C][C][=C][N][Branch2][Branch1][Ring1][C][=C][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][N][Branch2][Ring1][=N][C][C@@][C][C@@H1][Ring1][Ring1][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Ring1][#C][C][Ring2][Ring1][Branch2][=O][C][=N][Ring2][Ring1][P] |
CHEMBL4279814 | [C][C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][C][Ring2][Ring2][Ring2] |
CHEMBL4279901 | [C][C@@H1][Branch2][Ring2][=Branch2][N][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][=N][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1][C][C][C][Ring1][Ring1] |
CHEMBL4279902 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Branch1][C][O][C][=C][Ring1][=Branch2][O][C][=C][C][=Branch1][C][=O][/C][=Branch2][Ring1][#Branch2][=C][Branch1][C][/C][N][C][C][=N][O][C][Branch1][O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=N][Ring1][O][C][=Branch1][C][=O][C@@][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2][C] |
CHEMBL4279903 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][Ring1][N][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C] |
CHEMBL4279904 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][O] |
CHEMBL4279905 | [C][N][Branch2][Ring2][Branch2][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][N][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4279980 | [C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][=C][C][=C][Branch1][O][C][#C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][O][Ring2][Ring1][Branch2] |
CHEMBL4279981 | [C][C][C][C][C][Branch1][C][O][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O] |
CHEMBL4279982 | [C][C][C][Branch1][P][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][=C][C][=C][C][=C][N][Ring1][Branch1][C][=Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279983 | [C][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][Branch1][C][F][=C][Ring2][Ring1][N] |
CHEMBL4280061 | [C][N][C][C][C][N][C][=Branch1][C][=O][C@H1][C@@H1][Branch1][Branch1][C][Ring1][=Branch1][=O][C@@H1][C][C][C][N][Ring1][Branch1][C@H1][Ring1][#Branch2][C][C][=C][Branch1][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][O][N][=Ring1][O] |
CHEMBL4280062 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][\C][C][C][/C][=Branch1][=N][=C][\C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4280063 | [N][#C][C][=C][Branch1][C][N][NH1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Ring1][=C] |
CHEMBL4280064 | [O][=C][Branch1][C][O][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][C][N][=C][N][=C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][N][C][=C][Ring2][Ring2][C] |
CHEMBL4280065 | [C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Branch1][#Branch1][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][/C][=N][/N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O][Ring2][Ring2][Ring2] |
CHEMBL4280066 | [F][C][=C][C][=C][Branch2][Ring2][Branch2][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][C][=C][Ring2][Ring1][=N] |
CHEMBL4280142 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][=N][C][=C][N][Branch2][Ring1][Ring1][C][C][N][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=N][Ring1][P][=C][Ring2][Ring1][#Branch1] |
CHEMBL4280143 | [C][C][=C][C][=C][Branch2][=Branch1][Ring2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Branch1][C][O][C][C][C][C][C][=C][N][Branch2][Ring2][C][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][N][C][=C][Ring2][Ring2][#Branch1][C][Branch1][C][O][=C][Ring2][Branch1][C] |
CHEMBL4280144 | [C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4280145 | [O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C@@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C@H1][Ring1][#Branch2][C][C][Ring1][P] |
CHEMBL4280146 | [C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=N][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][#Branch2] |
CHEMBL4280233 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C@H1][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@@H1][Ring1][S][C] |
CHEMBL4280234 | [Br][C][=C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][#C] |
CHEMBL4280235 | [O][C][=C][C][=C][Branch1][#Branch1][C][C][C][O][Ring1][Ring1][C][=C][Ring1][#Branch2][C][=C][C][Branch1][#Branch1][C][C][C][O][Ring1][Ring1][=C][C][=C][Ring1][#Branch2][O] |
CHEMBL4280236 | [C][C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][=C][C][O][/N][=C][/C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch2][Cl] |
CHEMBL4280237 | [O][=C][Branch1][C][O][C][C][C][N][Branch1][=C][C][=N][C][=N][C][N][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4280326 | [C][C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][C@@][C][/C][=Branch2][Ring2][#Branch2][=N][\O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][O][C][=N][O][N+1][Branch1][C][O-1][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Branch1][C][C][Branch1][#Branch2][C][C][C@@H1][Ring2][Ring2][Branch2][Ring2][Ring2][Ring1][C][Ring2][Ring2][Ring2] |
CHEMBL4280327 | [C][O][C@@H1][O][C@H1][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring2][Ring1][=Branch2][Ring1][#Branch1] |
CHEMBL4280328 | [O][=C][NH1][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2] |
CHEMBL4280329 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch2][Ring2][=Branch1][C][N][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring1][P][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][Branch2] |
CHEMBL4280404 | [C][C][S][C][Branch1][=C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][=C][C][=Ring1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] |
CHEMBL4280405 | [C][C][C][Branch1][Ring1][C][C][O][C@@H1][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C@H1][Branch1][C][N][C@H1][Ring1][=N][N][C][Branch1][C][C][=O] |
CHEMBL4280406 | [C][S][C][C][C@H1][Branch2][S][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][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][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][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][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][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][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][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][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][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4280407 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch1][C][Cl][N][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
CHEMBL4280408 | [F][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][O][Ring1][N][C][=C][Ring2][Ring1][C][F] |
CHEMBL4280490 | [N][C][=N][C][=C][Branch2][Ring2][Branch2][N][=C][N][Ring1][Branch1][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][P][=Branch1][C][=O][Branch1][C][O][O][C][C@@H1][Ring1][=N][O][C][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][=C] |
CHEMBL4280491 | [C][O][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][Branch2][Ring1][C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][C][O][C] |
CHEMBL4280492 | [C][/C][=Branch1][P][=C][/C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1] |
CHEMBL4280493 | [O][=C][Branch2][Ring2][N][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring1][=Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O] |
CHEMBL4280494 | [C][C][=C][C][Branch1][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][Ring2][Ring1][C] |
CHEMBL4280495 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][Ring2][Ring2][Ring2] |
CHEMBL4280496 | [C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=C][Ring1][O][N+1][=Branch1][C][=O][O-1] |
CHEMBL4280497 | [C][C@H1][O][C@@H1][Branch2][Branch2][=Branch1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Branch2][=Branch1][C][O][C@H1][C@H1][Branch1][C][O][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][Ring2][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][=C][O] |
CHEMBL4280498 | [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][I] |
CHEMBL4280579 | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring2][Branch1][N][/N][=C][/C][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Ring2][Ring1][=Branch1][=O][=N][C][=Ring2][Ring1][=C][C] |
CHEMBL4280580 | [O][=S][=Branch1][C][=O][O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][C@H1][Ring1][O][C@@H1][Ring1][#C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4280581 | [C][C@@H1][Branch2][Ring2][N][N][C][=N][C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][C][O][=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][C][C][C][Ring1][Ring1] |
CHEMBL4280582 | [C][C@][C][C][C@H1][C@@H1][Branch2][Ring2][S][C][C][C@H1][C][C@@][Branch1][C][O][Branch2][Ring1][O][C][N][C][C][N][Branch1][S][C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring1][P][C][C][C@@][Ring2][Ring1][=Branch2][Ring2][Ring1][=N][C][C@@H1][Ring2][Ring2][C][C][C][C][Ring2][Ring2][Branch1][=O] |
CHEMBL4280583 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][O][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4280664 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][C][C][C][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Branch2].[Cl] |
CHEMBL4280665 | [C][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring1][=C][N] |
CHEMBL4280666 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][P][Ring1][#Branch1] |
CHEMBL4280667 | [C][C][Branch1][C][C][=C][C][C@@H1][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][C][C][C][C@@H1][C][C][S][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][N][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL4280668 | [C][C][=C][Branch1][=C][C][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL4280669 | [C][O][C][=C][C][=C][Branch2][#Branch2][Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch2][Branch2][Ring2][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][/C][=C][/C][=N+1][C][=Branch2][Ring1][=Branch2][=C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][B-1][Ring1][=C][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][=C][Ring2][=Branch1][O][Ring2][Branch1][P][C][=C][Ring2][#Branch1][Ring1] |
CHEMBL4280670 | [F][C][Branch1][C][F][C][C][C][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][Branch2][C][=C][C][=N][NH1][Ring1][Branch1][=N][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][N] |
CHEMBL4280747 | [F][C][=C][C][=C][Branch2][Ring2][#Branch1][C][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][Branch1][C][F][=C][Ring2][Ring1][=N] |
CHEMBL4280748 | [O-1][S+1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O] |
CHEMBL4280749 | [O][=C][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][/C][Ring2][Ring1][C][=N][/C][=C][C][=C][Branch2][Ring2][Ring2][/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][#Branch2] |
CHEMBL4280750 | [C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][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][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O] |
CHEMBL4280751 | [C][O][C][=C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][C][=C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][O][C][O][Ring1][Branch1] |
CHEMBL4280752 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N] |
CHEMBL4280827 | [O][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][C][O] |
CHEMBL4280828 | [C][C][C][C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1].[Cl] |
CHEMBL4280829 | [C][N][C][=N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][N][C][=C][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] |
CHEMBL4280830 | [O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][S][Ring2][Ring1][#Branch1] |
CHEMBL4280917 | [C][C][C][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][P][=Branch1][C][=O][C][O][C][Branch2][Ring1][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][O][Ring2][Ring1][C] |
CHEMBL4280918 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4280919 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch2][Ring1][Branch1][=C][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1] |
CHEMBL4280920 | [O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch2][Ring1][Branch1][N][C][C][=C][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][N][Branch1][Branch1][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][Branch2] |
CHEMBL4280921 | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch3][Ring1][C][#Branch2][O][C@@H1][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][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch2][Branch1][N][C][=C][Branch2][Branch2][#Branch2][C][O][C@@H1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Branch1][=Branch2][O][C@H1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][Ring2][Ring1][=N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][Ring2][Branch1][=N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring2][=Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C@H1][Branch1][#Branch1][N][C][Ring2][Branch2][Ring2][=O][C][=Branch1][C][=O][N][C@H1][Ring2][=Branch2][#Branch1][C][Branch1][C][O][N][C@H1][C][=Branch1][C][=O][N][C@H1][Ring2][#Branch2][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][C][Ring2][Ring1][#Branch1][=C][C][=C][Ring1][=Branch1][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][N][#Branch2][O] |
CHEMBL4280999 | [C][C][=C][Branch1][C][I][C][Branch1][C][C][=N+1][C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=N+1][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Branch1][C][C][C][Branch1][C][I][=C][Branch1][C][C][N][Ring1][Branch2][B-1][Ring2][Ring1][Ring1][Branch1][C][F][F] |
CHEMBL4281000 | [C][O][C][=C][C][=C][C][Branch2][Ring2][P][N][C][=C][/C][=Branch2][Ring1][Ring2][=N][/N][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][=Branch2][C][=Branch1][C][=O][N][=C][Ring2][Ring1][C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][Ring2][Ring2][C] |
CHEMBL4281001 | [C][O][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=Ring1][=N][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4281002 | [F][C][Branch1][C][F][C][C][C][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=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][#Branch2][C][C][Ring2][Ring2][C] |
CHEMBL4281003 | [C][C][NH1][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4281004 | [O][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][O][C][C][O][C][C][N][C][=C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N][C][=C][Ring2][Ring1][N][O][C][=C][C][=C][C][=C][Ring2][Ring2][=Branch1][Ring1][=Branch1] |
CHEMBL4281082 | [C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][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][Branch1] |
CHEMBL4281083 | [C][O][C][=C][C][=C][Branch2][Ring1][P][/C][=C][Branch1][C][\C][S][=Branch1][C][=O][=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][Ring2][Ring1][Branch2][O] |
CHEMBL4281084 | [C][C][C][=C][C][=C][Branch1][C][O][C][Branch2][=Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Branch1][#Branch2][O][C][C][C][C][C][=C][N][Branch2][Ring2][#Branch2][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][S][C][=C][Ring2][Ring2][O][=C][Ring2][Branch1][=Branch1] |
CHEMBL4281087 | [C][C][Branch1][C][C][Branch1][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][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4281088 | [O][=C][C][=Branch1][S][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][/C][Ring1][N][=C][\C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] |
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