chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4280577 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch1][#C][C][C][C@@H1][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][C][C][O][C@@H1][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][C][C][C][=C][Ring1][#Branch1] |
CHEMBL4280578 | [C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch2][C][N][C][C][N][Branch2][Ring2][N][C][C@@][Branch1][C][O][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][=Branch2][C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@][Ring1][=Branch1][Branch1][C][C][O][C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2] |
CHEMBL4280661 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch2][Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][=C][Ring1][#C][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4280662 | [C][O][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][=C][Ring2][Ring1][N] |
CHEMBL4280663 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4280740 | [N][S][=Branch1][C][=O][=Branch1][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] |
CHEMBL4280741 | [O][=C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4280742 | [O][=C][Branch1][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P] |
CHEMBL4280743 | [C][N][C][=Branch1][C][=O][C][Branch1][Branch1][N][C][C][N][=C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O].[Cl] |
CHEMBL4280744 | [C][=C][C][=C][NH1][C][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=C][NH1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4280745 | [C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][Ring1][Branch2] |
CHEMBL4280746 | [O][=C][Branch1][P][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][C][C][C][=C][N][Branch2][Branch1][#C][C][C][=C][C][=C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][C][=C][Branch2][Ring1][#Branch2][C][C][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Ring1][N][=N][Ring2][Ring2][=Branch2] |
CHEMBL4280821 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][C][=N][N][=C][Branch2][Ring1][N][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][Ring1][N][O][Ring2][Ring1][=Branch1] |
CHEMBL4280822 | [C][O][C][=N][C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][C][Branch2][Ring1][#C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][=C][Ring1][P][O][C][=N][Ring2][Ring2][=Branch2] |
CHEMBL4280823 | [C][=C][C][N][/C][Branch1][Ring1][S][C][=C][Branch1][Ring1][/C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2] |
CHEMBL4280824 | [N][C][C@H1][O][C@H1][Branch2][Ring2][#Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@H1][Ring1][=Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][N][O].[O][=S][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4280825 | [C][C][C][C][N][C][C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4280826 | [F][C][Branch1][C][F][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=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][O][C][Ring2][Ring2][C] |
CHEMBL4280910 | [C][N][C][C][N][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2] |
CHEMBL4280911 | [C][C@H1][C@H1][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][=Branch1][=N][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@@H1][Branch2][Ring2][Ring2][O][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][S][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][#C][C][C][C@][Ring2][Ring2][Ring1][Ring2][Ring2][=Branch2][C][C@H1][Ring2][Branch1][Ring2][Ring2][Ring2][#C] |
CHEMBL4280912 | [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][Cl][C][=C][Ring1][S][C][=C][Ring2][Ring1][#Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O] |
CHEMBL4280913 | [N][C][=C][C][=C][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F][S][Ring1][P][=C][Ring2][Ring1][#Branch1] |
CHEMBL4280914 | [C][O][C][=C][C][Branch2][Ring1][S][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][NH1][N][=C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][#Branch2][Ring1][P][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][#Branch2][O] |
CHEMBL4280915 | [C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][C][C][C][O][Ring1][Branch1] |
CHEMBL4280916 | [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][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CHEMBL4280992 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][Branch1][C][O][Ring1][Ring1][C@@H1][Ring2][Ring1][C][C][C@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1] |
CHEMBL4280993 | [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][C][C][C][=C][Ring2][Ring1][Branch2][N][Branch1][C][C][C][C][N][Branch1][C][C][C] |
CHEMBL4280994 | [C][S][C][=C][C][=C][Branch2][Branch1][O][C][=Branch1][C][=O][N][C][=Branch1][C][=Se][N][C][=C][C][=C][Branch2][Ring2][Branch1][Se][Se][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=Se][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][N][C][=C][Ring2][Ring2][Branch2] |
CHEMBL4280995 | [C][O][C][=C][C][Branch2][Branch1][=Branch1][/C][=C][/C][=Branch1][C][=O][O][C][C][C][C][C][N][Branch1][C][C][C@H1][C][C][C@@H1][Branch2][Ring1][#Branch2][O][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][Ring2][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch2][O][C] |
CHEMBL4280996 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][#C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4280997 | [C][O][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C][C][C][C][C][Ring1][Branch1] |
CHEMBL4280998 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4281078 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2] |
CHEMBL4281079 | [C][C][C][C][C][C][C][C][Branch1][C][O][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O] |
CHEMBL4281080 | [C][O][C][=C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][C][C][C][C][C][Ring1][Branch2][C][=C][C][=C][NH1][C][Ring1][Branch1][=N][C][=C][Ring1][=Branch2][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][O][C] |
CHEMBL4281081 | [C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C@@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@@H1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][Ring1][=Branch2][S][Ring2][Ring1][=Branch2] |
CHEMBL4281154 | [C][N][Branch1][S][C][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1].[Cl] |
CHEMBL4281155 | [C][C][=C][C][=C][S][C][Branch1][C][N][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring1] |
CHEMBL4281156 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2] |
CHEMBL4281157 | [C][C@H1][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1] |
CHEMBL4281240 | [C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=C][C][Branch1][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch1][=N][C][Branch1][=C][C][=C][N][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][=Branch1] |
CHEMBL4281241 | [Cl][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=N][C][Branch2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=N][Ring1][O][=C][Ring1][S][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4281242 | [O][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][C][=Branch1][C][=O][N][Ring1][#C][O] |
CHEMBL4281243 | [C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][Ring2][S][C][C][C][=C][Ring1][=Branch2][S][Ring1][N] |
CHEMBL4281333 | [C][C][C][C][C][C][C][C][C][/C][=C][/C][=Branch1][C][=O][O] |
CHEMBL4281334 | [C][=C][C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][O][C][=C][C][Branch1][Ring2][C][C][=C][=C][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][P] |
CHEMBL4281335 | [C][=C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring2][=N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][N][C][C@H1][Branch1][C][C][O][C@H1][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][=N][Ring2][Ring1][Branch2][C][Ring2][Ring1][=N] |
CHEMBL4281336 | [C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][#Branch2][Branch1][C][C][C][C][Ring1][S][C][C][Branch1][C][C][C] |
CHEMBL4281337 | [C][O][C][=C][C][=C][C][Branch2][Ring2][N][N][C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][Branch1][=N][/C][=C][/S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=O][=C][Ring2][Ring1][P] |
CHEMBL4281338 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=N][C][Branch2][Ring1][C][N][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][P] |
CHEMBL4281339 | [C][O][C][=Branch1][C][=O][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][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] |
CHEMBL4281425 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][C][C][C][C][C][N][C][=Branch1][C][=S][N][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
CHEMBL4281426 | [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][/N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4281427 | [C][C][Branch1][C][O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2] |
CHEMBL4281428 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][S][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4281429 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][Ring1][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][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][F][C][C][C@][Ring2][Ring1][=N][Ring2][Ring2][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][=C][=O] |
CHEMBL4281514 | [C][C][C][Branch1][C][C][C][Branch1][C][C][=N][C][=C][Branch1][C][F][C][=C][Branch2][Ring2][Ring2][C][=N][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][N][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][N][Ring2][Ring1][P] |
CHEMBL4281516 | [C][O][C][=C][C][=C][Branch2][Ring1][N][/C][=C][\C][C][C][/C][=Branch1][S][=C][\C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4281517 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][Br][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][C] |
CHEMBL4281518 | [C][C][=C][C][=C][O][C][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][P][=C][C][=Branch1][C][=O][C][Ring2][Ring2][Branch2][=C][Ring2][Ring2][N] |
CHEMBL4281519 | [C][O][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Branch1][P][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][O][C] |
CHEMBL4281607 | [C][O][C][=C][C][Branch2][Ring2][Branch2][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][=C][C][NH1][C][Branch1][O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][Ring1][#C][Ring2][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4281609 | [C][O][C][=C][C][=C][NH1][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Ring1][Branch2][=C][Ring1][N] |
CHEMBL4281610 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][C][N][C][C][N][Branch1][P][C][=N][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][=C] |
CHEMBL4281611 | [C][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][N][Se][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O] |
CHEMBL4281612 | [C][O][C][=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][Ring1][=C][=C][Ring2][Ring1][P][C] |
CHEMBL4281702 | [F][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring1][=N][N][=C][Ring2][Ring1][Ring1] |
CHEMBL4281703 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][I][C][=C][Ring1][P] |
CHEMBL4281705 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][C][N][Branch1][=Branch1][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][#Branch1][O] |
CHEMBL4281706 | [C][C@H1][C][N][C][C@@H1][Branch1][C][C][N][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][=N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2][C][=N][N][Ring1][#C][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4281707 | [C][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][#Branch1][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][O][C][C][Ring2][Ring2][Branch1][Branch1][C][C][C] |
CHEMBL4281798 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][C][Ring2][Ring1][C] |
CHEMBL4281799 | [C][O][C][C][O][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][N][=Ring2][Ring1][O] |
CHEMBL4281800 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][N][=C][Branch1][C][C][/C][=Branch1][#Branch2][=C][/C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][=O][=C][Ring2][Ring1][Ring2] |
CHEMBL4281801 | [F][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1] |
CHEMBL4281878 | [O][=C][Branch2][Ring1][#Branch1][N][N][C][=Branch1][C][=O][C][S][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4281879 | [O][=C][Branch1][C][O][C@H1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C@H1][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4281880 | [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4281881 | [C][C@H1][Branch2][Ring2][O][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][Branch1][C][C][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] |
CHEMBL4281882 | [C][O][C][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][N][Ring1][S][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4281883 | [C][N][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C@H1][Branch2][N][Branch2][C][=C][C][=C][C][Branch2][O][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][#C][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@@H1][C][N][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@H1][C][N][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][=N][=C][Ring2][Ring1][Ring1][=C][Ring2][Branch2][N][C][Ring2][=Branch2][Branch2] |
CHEMBL4281957 | [C][O][C][=Branch1][C][=O][C][Branch2][#Branch1][O][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][C][C][N][C][=Branch1][C][=O][C][C][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#C][C][C][C][N][C][=Branch1][C][=N][N][N+1][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][O][C][Ring1][#Branch2][=O][C][Branch1][C][C][O] |
CHEMBL4281958 | [O][=C][NH1][C][Branch2][=Branch1][=Branch2][C][=C][C][=C][Branch2][Branch1][=N][O][C][C][C][C][=C][N][Branch2][Ring2][=C][C][C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][N][=N][Ring2][Ring2][Ring2][C][=C][Ring2][Ring2][=C][=N][C][=C][C][=C][C][=C][Ring2][Branch1][Branch2][Ring1][=Branch1] |
CHEMBL4281959 | [C][O][C][=C][C][Branch2][Ring2][Branch2][C][=N][C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4281960 | [C][C][N][Branch2][Ring2][#C][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][P][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][N][Ring2][Ring1][=Branch1][C][=Ring2][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4281961 | [C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][#Branch1][Ring1][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][C][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][Se][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][N][C][C@H1][Ring2][Ring2][C][C][Ring2][Ring2][#Branch1][=C][Ring2][Branch1][C].[Cl] |
CHEMBL4281962 | [C][=C][C][O][C][=C][C][=C][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Branch1][O][C][C][=C][C][Branch2][Ring2][=Branch2][C][=C][C][Branch2][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][O][C][C][=C][C][=C][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C][C][=C][=C][Ring2][Ring2][=Branch1][C][=C][Ring2][Ring2][S] |
CHEMBL4281963 | [C][O][C][=C][C][=C][Branch2][=Branch2][Branch2][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][O][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][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][N][=O][C][=C][Ring2][=Branch1][S] |
CHEMBL4281964 | [F][C][Branch1][C][F][C][=C][S][C][Branch2][Ring2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=N] |
CHEMBL4281965 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][/C][=C][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=Branch2][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4282049 | [C][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][S] |
CHEMBL4282050 | [C][C][C][/C][=C][/C][=C][\C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][C@@][Branch1][C][O][C@@H1][Branch2][Ring1][#Branch1][C][=C][Branch1][Ring1][C][O][C][C@@H1][C][=Branch1][C][=O][C][Branch1][C][C][=C][C@H1][Ring1][#Branch1][Ring1][#C][C@@H1][C][Branch1][C][C][Branch1][C][C][C@][Ring2][Ring1][#Branch1][Ring1][Branch1][O][C][=Branch1][C][=O][C][Branch1][C][C][C] |
CHEMBL4282051 | [O][=C][C@H1][C@@H1][C][=C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4282052 | [C][C][O][C][=C][C][Branch2][Ring2][=Branch1][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Ring1][P][=C][C][Branch1][Ring2][O][C][C][=C][Ring2][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4282053 | [N][C][=N][C][O][C][=C][C][=C][Branch1][#Branch2][/C][=C][/C][C][C][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] |
CHEMBL4282054 | [C][C][=C][C][Branch2][Ring1][#Branch1][S][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][N][=N][C][Branch2][Ring1][#Branch1][S][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][N][=N][Ring2][Ring2][C] |
CHEMBL4282055 | [C][C][C][C][C][C][C][C][C][C][C][O][C@H1][C@H1][Branch1][C][N][C][C@H1][Branch1][C][N][C@@H1][Branch2][Ring1][N][O][C@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch1][=Branch2][O][C][C][C][C][C][C][C][C@H1][Ring1][P][N][C@@H1][Ring2][Ring1][O][O] |
CHEMBL4282132 | [C][S+1][Branch1][C][O-1][C][C][C][C][N][C][=Branch1][C][=S][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4282133 | [C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][=C][Ring2][Ring1][N][Ring2][Ring2][Ring1] |
CHEMBL4282134 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][O][C][=C][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][N][O] |
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