chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4280655 | [O][=S][=Branch1][C][=O][C][C][C][N][Ring1][=Branch1][C][C][Branch1][C][O][C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL4280728 | [O][=C][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL4280729 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][/C][=C][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][N][Ring1][Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4280730 | [C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][C] |
CHEMBL4280731 | [2H][C][Branch1][C][2H][Branch1][C][2H][O][C][=C][C][=C][Branch2][Ring1][P][C][=C][Branch1][P][C][=C][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][NH1][C][=C][C][=C][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][N][=C][Ring2][Ring1][=Branch2] |
CHEMBL4280732 | [N][#C][C][Branch2][Branch1][N][C][=C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C@@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][=C][C][=N][Ring2][Ring1][#C][C][C][Ring2][Ring2][C] |
CHEMBL4280733 | [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][S][O][C@H1][O][C@H1][Branch1][Ring1][C][N][C@@H1][Branch1][C][O][C@H1][Branch1][N][O][C][C][C][C][C][C][C][C][C][C][C@H1][Ring2][Ring1][Ring2][N][C@@H1][Ring2][Ring1][=C][O] |
CHEMBL4280734 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch2][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][C][Branch3][Ring1][C][Ring1][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][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][C][Branch2][#Branch2][S][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][C][C][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C@@H1][Branch1][C][C][O][C][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C] |
CHEMBL4280812 | [C][=C][C][N][C][=Branch1][C][=O][C][S][/C][Ring1][=Branch1][=N][\N][=C][/C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C] |
CHEMBL4280813 | [C][=C][Branch1][C][C][C@@H1][C][C][=C][Branch2][Ring2][=N][C][N][C][=C][Branch2][Ring1][P][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][C][=O][C][=C][Ring1][P][N][=N][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][#C] |
CHEMBL4280814 | [C][O][C][=C][C][Branch2][Ring2][#Branch2][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][N][C][Branch1][C][Cl][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][S][O][C] |
CHEMBL4280815 | [N][#C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=N][C][=C][C][Branch1][#C][/C][=Branch1][Ring1][=N][\N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4280816 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4280897 | [N][#C][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4280898 | [C][C][C@H1][Branch1][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][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][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][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][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][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][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][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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][N][=C][NH1][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][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][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@@H1][Branch1][Branch2][C][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][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4280899 | [O][=C][Branch1][S][N][/N][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][F][=C][Ring1][P] |
CHEMBL4280900 | [C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O] |
CHEMBL4280901 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][#Branch1][Branch1][N][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@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][Branch1][C][C][C@@][Ring2][Ring1][=Branch2][Branch1][C][C][C@][Ring2][Ring1][=C][Branch1][C][C][C][C][Ring2][Ring2][=Branch2][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
CHEMBL4280902 | [C][C][C][N][C][=N][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N] |
CHEMBL4280903 | [C][O][C][C][N][C][C][N][Branch2][Branch1][Branch2][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][S][/C][=Branch2][Ring1][Branch2][=C][\C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][#Branch1] |
CHEMBL4280904 | [F][C][=C][C][=C][C][Branch2][Branch1][Ring1][C][N][C][=N][C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][#Branch1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=N][Ring2][Ring1][N][=C][Ring2][Ring2][Ring2] |
CHEMBL4280905 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][N][=N][NH1][C][=Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4280981 | [C][=C][N][=C][C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][O][=C][Ring1][P] |
CHEMBL4280982 | [C][C][=C][C][=C][C][N][=C][Branch2][Ring1][Branch2][N][/N][=C][\C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][S][C][Ring2][Ring1][Branch2][=Ring2][Ring1][Ring2] |
CHEMBL4280983 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][N][=C][Ring2][Ring1][Ring2][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] |
CHEMBL4280984 | [C][C][N][C][=Branch1][C][=O][C][=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][#Branch1][Ring2][Ring1][Ring1] |
CHEMBL4280985 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][/C][=C][/C][=C][C][Branch1][C][O][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4280986 | [C][C][=C][N][Branch2][Branch1][=Branch2][C][=C][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][N][Branch2][Ring2][Ring1][C][C@@][C][C@@H1][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring1][P][C][Ring2][Ring1][#Branch2][=O][C][=N][Ring2][Ring2][Ring1] |
CHEMBL4281067 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4281068 | [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] |
CHEMBL4281069 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][/C][=C][/C][N][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1].[Cl] |
CHEMBL4281070 | [C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][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][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4281071 | [O][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4281146 | [O][=C][Branch1][C][O][C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4281147 | [C][C][Branch1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring1][Branch1][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Ring2][Ring1][Branch1] |
CHEMBL4281148 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][C] |
CHEMBL4281149 | [C][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][C][C@@H1][Branch1][C][O][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Branch2][Ring1][#Branch1] |
CHEMBL4281150 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][C][#N][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4281230 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][\C][C][C][/C][=Branch1][S][=C][\C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][Ring1][P][=O] |
CHEMBL4281231 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][O][C][=C][Ring1][N][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CHEMBL4281232 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][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@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring1][N][C][C][C@@][Ring1][S][Branch1][C][C][C@][Ring2][Ring1][Branch1][Branch1][C][C][C][C][Ring2][Ring1][S] |
CHEMBL4281233 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O] |
CHEMBL4281234 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][#Branch1][=N][C][C][C@@H1][C@@][Branch1][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][Branch1][Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][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][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C@@H1][O][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][Ring2][=Branch2][C][C][C@][Ring2][Ring2][=N][Ring2][Branch1][C][C][C@@H1][Ring2][Branch1][=N][Ring2][Branch1][#Branch2] |
CHEMBL4281235 | [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][C][=C][S][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][C][Branch1][C][N][=N][Ring2][Ring1][#Branch1] |
CHEMBL4281319 | [O][=C][Branch1][=C][C][C][=C][C][=N][Se][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4281320 | [C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Ring2][Ring2][Ring1] |
CHEMBL4281321 | [C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][N][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=N][=N][Ring2][Ring1][#Branch1] |
CHEMBL4281322 | [N][C][=N][C][O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch2][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] |
CHEMBL4281323 | [C][N][Branch2][Ring2][#C][C][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][Branch1][C][O][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] |
CHEMBL4281324 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][C][O][C][NH1][C][=Branch1][C][=O][C][=C][C][Ring1][N][=Ring1][#Branch1] |
CHEMBL4281325 | [N][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4281326 | [C][O][C][=C][C][Branch2][Branch1][Branch2][/C][=C][Branch2][Ring1][Branch1][\C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=N][N][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][Ring1][P][=C][C][=C][Ring2][Ring2][Branch1][O] |
CHEMBL4281415 | [O][=C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4281416 | [C][C][C][C][N][C][C][C][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] |
CHEMBL4281417 | [O][=C][Branch1][C][O][C][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][C][=C][Ring1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CHEMBL4281418 | [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][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N] |
CHEMBL4281501 | [C][N][N][=C][Branch2][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][=N] |
CHEMBL4281502 | [C][O][C][=C][C][=C][C][Branch2][Ring2][S][C][O][C][C][C][C][Branch2][Ring2][C][O][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring2][C] |
CHEMBL4281503 | [C][C][Branch1][C][C][=C][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] |
CHEMBL4281504 | [C][N][C][C][N][Branch2][Ring1][=Branch1][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][C][Ring1][N][C][C][Ring2][Ring1][Ring1] |
CHEMBL4281505 | [C][C][Branch1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][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][=Branch1][C][=N][N][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][O] |
CHEMBL4281506 | [C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=C][C][Branch1][P][C][=C][NH1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][Branch1][S][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C@][Ring2][Ring1][=Branch2][Branch1][C][C][C][C][C@@][Ring2][Ring1][#C][Branch1][C][C][C@H1][Ring2][Ring2][Branch1][C][Ring2][Ring2][#Branch2] |
CHEMBL4281507 | [C][N][Branch1][#C][C][/C][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1].[Cl] |
CHEMBL4281596 | [C][C][C][Branch1][Ring1][C][C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][=N] |
CHEMBL4281597 | [C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][NH1][C][Ring2][Ring1][Branch1][=Ring1][=N][O][Ring2][Ring1][#Branch2] |
CHEMBL4281598 | [C][/C][=C][Branch1][Ring1][\C][O][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][C@@H1][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][Ring1][O][C][C@H1][Ring1][P][O][C@@][Ring2][Ring1][Branch1][Branch1][C][O][C@@H1][Ring2][Ring1][=C][O] |
CHEMBL4281599 | [C][O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=C][Ring1][O][Cl] |
CHEMBL4281600 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][NH1][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4281601 | [C][O][C][=C][C][=C][Branch2][Branch1][C][N][C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][S][/C][=Branch1][P][=C][/C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Ring1][S][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][N][=O][C][=C][Ring2][Ring2][Ring1][O][C] |
CHEMBL4281686 | [C][C][C][C][C][C][=C][N][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][N][=N][Ring1][P] |
CHEMBL4281687 | [C][C][C][C][C@H1][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Branch1][C][C][=O][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][N][=O] |
CHEMBL4281688 | [C][C@@][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C][O] |
CHEMBL4281689 | [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4281690 | [C][C][C][C][C][C][C][/C][=Branch1][Ring1][=N][\O][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=C][Ring1][=C][O] |
CHEMBL4281691 | [C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch2][Branch1][S][C][=C][C][Branch2][Branch1][Branch1][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][O][C][Ring1][Ring1][Branch1][C][C][C][Branch1][N][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][Ring1][S][Branch1][C][C][O][Ring2][Ring1][Branch2][=C][Ring2][Ring1][P][O][O][C][Ring2][Ring2][#Branch1][Branch1][C][C][C][Ring2][Ring2][=N][=O] |
CHEMBL4281692 | [C][C][=C][C][=C][C][Branch1][N][C][C][Branch1][C][N][=N][NH1][C][=Ring1][=Branch1][C][=C][Ring1][=N] |
CHEMBL4281693 | [N][#C][N][C@@H1][C][=C][C][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][=C][Ring1][#C][C][C@H1][Ring2][Ring1][C][O] |
CHEMBL4281786 | [C][N][N][=C][C][=C][C][=C][Branch1][#C][C][#C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring1][S][Ring2][Ring1][Ring1] |
CHEMBL4281787 | [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][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4281788 | [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] |
CHEMBL4281789 | [O][=C][N][C][C][N][C][Branch1][S][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][C][C][Ring1][#Branch1][=N][C][=C][C][Branch1][C][F][=C][C][Ring2][Ring1][=Branch1][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] |
CHEMBL4281790 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4281869 | [C][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] |
CHEMBL4281870 | [C][C][O][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring2] |
CHEMBL4281871 | [C][C][Branch2][Ring1][#C][C][N][N][=C][C][=C][Branch1][=C][N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Cl][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4281872 | [N][C][O][C][=C][N][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4281945 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][Branch1][C][N][=N][NH1][C][=Ring1][=Branch1][N][C][C][=C][Ring1][P] |
CHEMBL4281946 | [C][O][C][=C][C][Branch2][Branch1][O][C@@H1][C][=C][C][=C][Branch2][Ring2][=N][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][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][Branch2][O][C] |
CHEMBL4281947 | [C][C][C@H1][C][C][C][C@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C][=C][C@@H1][C@@H1][Branch2][Ring2][#Branch1][C][=C][C@@H1][C][C@@H1][Branch2][Ring1][#Branch1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][C@H1][Ring1][O][O][C][C][C@@H1][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1][C@@H1][Ring2][Ring1][#Branch2][C][C][=Branch1][C][=O][O][Ring2][Branch1][Ring2].[Br-1] |
CHEMBL4281948 | [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][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N] |
CHEMBL4281949 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][/C][=C][\C][C][C][/C][=Branch2][Ring1][=Branch1][=C][\C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][O][O][C] |
CHEMBL4281950 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][I][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][C] |
CHEMBL4281951 | [O][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][C][=Branch1][C][=O][N][Ring1][#C][O] |
CHEMBL4282039 | [O][=C][Branch1][Ring1][N][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][Se][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] |
CHEMBL4282040 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][#C] |
CHEMBL4282041 | [F][C][Branch1][C][F][Branch1][C][F][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] |
CHEMBL4282042 | [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][Cl][=C][Ring1][O] |
CHEMBL4282123 | [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][C@H1][Ring1][=Branch1][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4282124 | [C][C][Branch1][C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2] |
CHEMBL4282125 | [O][=S][=Branch1][C][=O][N][Branch2][Ring1][S][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][C][C][N][Ring2][Ring1][=Branch2][C][C][C][C][Ring1][Ring2] |
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