chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4241826 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4241830 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][C][C][Ring1][S] |
CHEMBL4241833 | [O][=C][C][C][C@@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][P] |
CHEMBL4241839 | [C][C][C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][#Branch2][Ring1][Branch1] |
CHEMBL4242072 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=N][N][=C][Ring2][Ring1][C][Ring1][=C] |
CHEMBL4242073 | [Cl].[C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][C][=C][C][=C][Branch1][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][=C][Ring1][=C][Ring2][Ring1][=Branch1] |
CHEMBL4242079 | [C][=C][N][=C][C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][C][Ring1][Branch2][=C][Ring1][N][=N][NH1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4242081 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][N][NH1][Ring1][P] |
CHEMBL4242300 | [S][=C][Branch2][Ring1][S][N][/N][=C][\C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4242301 | [C][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][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][#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][Branch2][Branch1][Branch1][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4242308 | [C][C][Branch1][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][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][C][C][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][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][O] |
CHEMBL4242313 | [C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O] |
CHEMBL4242317 | [C][O][C][=C][C][=C][Branch2][Ring2][P][/C][=C][\O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][=Branch1][Branch2][=C][Ring1][Branch2][C][Ring1][O][=O][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Branch1][C][=O][C@@][Ring1][O][Ring1][P][C][C][=C][Ring2][Ring1][S] |
CHEMBL4242321 | [C][C][Branch1][C][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C@@H1][Branch1][S][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][#N][C][Ring2][Ring1][C] |
CHEMBL4242324 | [O][=C][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][C@@H1][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4242608 | [C][C][N][N][=C][Branch1][C][C][C][=C][C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring2] |
CHEMBL4242609 | [Cl][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][C][=C][C][=C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][O][Ring1][=C] |
CHEMBL4242611 | [N][#C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=N][C][Branch1][N][C][=C][C][=N+1][Branch1][C][O-1][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4242615 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1] |
CHEMBL4242617 | [C][C][C][C][C][O][C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][C][=N][C][=Branch2][Ring2][#C][=C][C][NH1][C][Branch2][Ring1][Branch2][C][=C][N][=C][Branch1][=Branch2][C][=C][Ring2][Ring1][C][NH1][Ring1][S][C][Branch1][C][C][=C][Ring1][=Branch2][C][C][=C][Branch1][C][C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring2][#Branch2][C] |
CHEMBL4242626 | [N][#C][C][C][N][C][=C][Branch2][Ring2][S][C][=N][C][Branch2][Ring1][#C][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][Ring1][=N][C][NH1][C][=C][C][Ring2][Ring1][=N][=Ring1][Branch1][C][=N][Ring2][Ring2][C] |
CHEMBL4242889 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][O][C][Branch2][Ring1][S][S][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C][=N][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4242890 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4242894 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4242897 | [C][C][O][P][=Branch1][C][=O][Branch1][Branch2][C][C][C][C][N][=C][=S][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4242898 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][/N][=C][/C][=C][C][=N][C][=C][Ring1][=Branch1] |
CHEMBL4243205 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4243206 | [C][Si][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=N][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4243213 | [C][/C][=C][/C][C@H1][Branch1][C][C][C@@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][C@H1][O][C][=Branch1][C][=O][C][Branch1][C][Br][=C][C@H1][Ring1][Branch2][C][C] |
CHEMBL4243215 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring1][#C][C][O][Ring2][Ring1][Ring2].[Cl] |
CHEMBL4243470 | [C][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][C][=N][C][=N][O][C][Branch1][C][N][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring1][P][=C][Ring2][Ring1][O] |
CHEMBL4243472 | [O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][Ring1][=N] |
CHEMBL4243474 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][/C][=Branch2][Ring1][C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4243481 | [O][=C][C][=C][C][=C][Branch2][Ring1][S][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][#C][O] |
CHEMBL4243753 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][Ring2][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][P] |
CHEMBL4243756 | [C][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] |
CHEMBL4243758 | [C][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][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][C][/C][=C][\C][C][C][C@@][Branch1][C][C][Branch2][Branch1][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][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=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][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][=Branch1][O][=O] |
CHEMBL4243764 | [O][=C][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][O][=N][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4243768 | [C][C][=C][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][Branch1][P][/C][Branch1][C][C][=N][/O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C][Ring2][Ring1][Branch2][Branch1][C][C][C] |
CHEMBL4243773 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4244022 | [O][=C][Branch2][Ring1][=C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N+1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1].[Br-1] |
CHEMBL4244023 | [O][=C][N][/C][=Branch2][Ring1][S][=N][\C][=N][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][S][Ring1][#C][S][/C][Ring2][Ring1][Branch1][=C][/C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4244024 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4244025 | [C][C][=C][C][Branch1][P][N][C][C][C][C][=C][Branch1][C][F][S][C][=Ring1][=Branch1][C][Ring1][#Branch2][=C][C][Branch1][C][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4244298 | [C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
CHEMBL4244301 | [C][O][C][=C][C][=C][C][Branch1][Branch1][/C][=C][/C][=O][=C][Ring1][#Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][=O] |
CHEMBL4244304 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][N][Ring1][O][O][C][=C][Ring2][Ring1][C][C][#N] |
CHEMBL4244311 | [C][C][=C][C][=C][C][Branch1][#C][N][C][=N][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][=C][C][Ring1][S][=N][N][Ring2][Ring1][Ring1][C][C][C][C][C][Ring1][Branch1] |
CHEMBL4244312 | [C][O][C][=Branch1][C][=O][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C] |
CHEMBL4244609 | [C][C][Branch1][C][C][C][C][C][=C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][C][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][P] |
CHEMBL4244610 | [N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4244613 | [C][O][C][=C][C][=N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][Branch1][C][C][C] |
CHEMBL4244619 | [Cl].[O][=C][Branch1][C][O][C][C@@H1][C][O][C][=C][C][Branch2][Ring2][#Branch2][O][C][C][=C][C][=C][C][Branch2][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][#C][Ring2][Ring2][C] |
CHEMBL4244620 | [C][C][=C][C][=C][C][Branch2][Ring2][C][C][N+1][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O].[Cl-1] |
CHEMBL4244936 | [C][O][C][=C][C][=C][Branch2][Ring2][S][C][N][C][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4244940 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4244941 | [C][C][O][P][=Branch1][C][=O][Branch2][Ring1][N][C][C][C][C][C][C][N][C][=Branch1][C][=S][S][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][O][C][C] |
CHEMBL4244942 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4245236 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][C@@H1][Branch1][C][C][N][C][=C][Branch1][=N][N][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=Branch1][C][=O][C][Ring1][#C][=O][=C][Ring2][Ring1][=Branch2] |
CHEMBL4245238 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][Ring1][O][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][C][Branch1][C][C][=C][Ring2][Ring1][=N] |
CHEMBL4245241 | [N][C][O][N][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P][C][=Ring2][Ring1][S][Ring2][Ring1][=N] |
CHEMBL4245509 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][=N][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][Ring1][O] |
CHEMBL4245510 | [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][=Branch1][#C][=N][\N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C@@][Branch1][C][C][Branch1][#Branch2][C][C][C@@H1][Ring2][Ring1][#Branch1][Ring2][Ring1][C][C][Ring2][Ring1][Ring1] |
CHEMBL4245513 | [C][C][C][=C][C][=C][N][=C][C][Branch1][C][O][=C][C][=C][Branch1][C][Br][C][Ring1][Branch2][=N][C][Ring1][N][=C][Ring1][S] |
CHEMBL4245514 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][Branch2] |
CHEMBL4245516 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][C][C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][Ring1][O][Ring1][=C] |
CHEMBL4245518 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4245520 | [C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][C][=N][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][#Branch2][=N][C][Branch1][N][N][C][C][C][Branch1][Ring1][C][N][C][Ring1][#Branch1][=C][Ring2][Ring1][O][Ring2][Ring1][=C] |
CHEMBL4245522 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4245814 | [C][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][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] |
CHEMBL4245816 | [C][C@@H1][O][C@@H1][Branch2][=Branch2][O][O][C@H1][C@H1][Branch2][#Branch1][=Branch1][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][C][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][O][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N][C][C][C@][Ring2][Ring1][N][Ring2][Ring1][P][C][C][Ring2][Ring2][O][Branch1][C][C][C][O][C][C@H1][Branch2][Ring1][Branch1][O][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@@H1][Ring2][Branch1][S][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][#Branch2][O] |
CHEMBL4245818 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][C@][Ring1][Branch1][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@H1][Branch1][Ring2][C][Ring1][#C][C@][Ring1][O][C][C][C@@][Ring1][#C][Branch1][Ring1][O][C][C@@][Branch1][C][C][Branch1][Ring1][C][O][C][Ring1][O] |
CHEMBL4245823 | [C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][P][O][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4246087 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][S][N][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][O] |
CHEMBL4246088 | [O][=C][Branch1][C][O-1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][O].[K+1] |
CHEMBL4246089 | [C][C][C][=C][Branch1][C][C][N][Branch2][Branch1][Ring1][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][N][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][C][C][Ring1][#Branch1][C][Ring1][P][=C][Ring2][Ring1][=N][N][=Ring2][Ring2][Ring1].[Cl] |
CHEMBL4246092 | [O][=C][Branch2][Ring2][=N][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Ring2][Ring1][Ring1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N] |
CHEMBL4246101 | [C][C][N][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][C][=C][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][=C] |
CHEMBL4246102 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][=N][N][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C][C][C][Cl] |
CHEMBL4246352 | [O][=C][Branch1][P][N][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=N][Ring1][Branch2][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] |
CHEMBL4246355 | [C][N][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Branch2][Ring2][C][C][=C][N][=C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=N][N][C][C][=C][Ring1][#Branch2][NH1][Ring1][=N][=C][Ring2][Ring1][Ring1][NH1][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4246358 | [C][O][C@H1][C][N][C][C@@H1][Branch1][O][O][C][C][C][C][O][C][C][Ring1][=Branch1][C@@H1][Ring1][=C][N][C][=N][C][=C][Branch1][N][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Ring1][=Ring1][Branch2] |
CHEMBL4246362 | [F][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2][Cl] |
CHEMBL4246636 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][C][=C][Ring1][=C][C][=Ring1][P][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4246643 | [N][#C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][=C][C][N][=C][Branch2][#Branch1][Branch2][N][C][=Branch1][C][=O][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][=C][S][Ring2][Ring1][P][S][C][Ring2][#Branch1][Branch1][=Ring2][Branch1][O] |
CHEMBL4246646 | [C][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][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][#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][Branch2][Branch1][Branch2][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][=N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4246655 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL4246664 | [C][N][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][C][=C][C][Ring1][P][=N][Ring2][Ring1][Ring2] |
CHEMBL4246667 | [C][O][C][=C][Branch1][P][N][C][C@@H1][C][C][O][C][C@@][Ring1][=Branch1][Branch1][C][N][C][Ring1][#Branch2][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][#Branch1][C@@H1][C][C@@H1][Ring1][Ring1][F][C][Ring2][Ring1][=N][=Ring1][=C] |
CHEMBL4246962 | [C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Br][O][Ring1][=N].[Cl-1] |
CHEMBL4246966 | [C][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][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4246969 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][C][O][Ring1][Ring1][C][=C][Ring1][=Branch2][C][=Ring1][P] |
CHEMBL4246974 | [C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][Branch1][C][C][C][=N][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][O][N][Ring1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=C] |
CHEMBL4246983 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][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][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][S][S][C][C@@H1][Branch2][#Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][Ring2][O][N][=O] |
CHEMBL4246984 | [C][C][C@][Branch1][Ring2][S][C][#N][C][C@@H1][C][N][Branch2][#Branch1][#C][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Branch1][=C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][Ring1][C][C][C][=C][C][N][C][C][C@][Ring2][Ring1][=C][Ring2][Ring1][=Branch1][C@@H1][Ring1][Branch1][Ring1][O][C][Ring2][Branch1][Branch1][C][Ring2][Branch1][O] |
CHEMBL4247234 | [O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4247236 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#C] |
CHEMBL4247239 | [C][C][Branch1][C][C][O][C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4247243 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][O][C][Branch1][C][O][=C][Ring2][Ring1][Branch2][Ring1][=C] |
CHEMBL4247246 | [C][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][Branch1][=C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Ring1][P][Ring2][Ring1][=Branch2] |
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