chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4291010 | [C][C][C][C][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
CHEMBL4291011 | [C][O][C@@H1][C][C@H1][Branch2][Branch2][C][C][C@@H1][Branch1][C][C][C@@H1][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][/C][=C][/C][=C][/C][=C][Branch1][C][\C][C@H1][Branch1][Ring1][S][C][C][C@@H1][C][C][C@@H1][Branch1][C][C][C@@][Branch1][C][O][Branch1][Ring2][O][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring2][Branch1][Branch1][C][C][C@H1][Ring2][Branch1][=C][O] |
CHEMBL4291012 | [C][C][C][C][C][C][N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][C][Branch1][C][N][=N][Ring1][#C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4291013 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][Ring1][O][C][=C][Ring1][P] |
CHEMBL4291014 | [C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][O][C][Ring1][#Branch1][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1][C][C][Ring1][P] |
CHEMBL4291015 | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring2][O][N][=C][N][Ring1][Branch1][C][C][C][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring2][Ring1][Ring1][N][Branch1][Branch1][C][C][C][C][C][Ring2][Ring2][#Branch1][=O] |
CHEMBL4291103 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][Ring1][=C] |
CHEMBL4291104 | [C][C][=C][S][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][#C][=N][Ring2][Ring1][#Branch1] |
CHEMBL4291105 | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=C][Branch1][C][N][S][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring1][P][C] |
CHEMBL4291106 | [C][C][Branch1][C][C][C][C][C@][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][Ring2][C][C][C@@H1][C@@][Branch1][C][C][Branch1][Ring2][C][C][#N][C@H1][Branch2][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C@][Ring2][Ring1][=Branch2][Ring2][Ring1][=C][C][C@H1][Ring2][Ring2][Ring1][C@H1][Ring2][Ring2][Branch2][O][C][Ring2][Ring2][=Branch1] |
CHEMBL4291107 | [Cl][C][=C][C][=C][Branch2][Ring2][#C][N][C][=C][Branch2][Ring2][Ring2][C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1][N][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S] |
CHEMBL4291196 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C] |
CHEMBL4291197 | [C][C][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O] |
CHEMBL4291198 | [C][C][C][C][C][=N][C][Branch1][C][Cl][=C][Branch2][Ring1][O][C][C][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N-1][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][N][Ring2][Ring1][Branch2][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N-1][N][=Ring1][Branch1][C][=C][Ring1][P].[K+1].[K+1] |
CHEMBL4291199 | [C][O][C][Branch1][Ring1][O][C][C][=C][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] |
CHEMBL4291200 | [C][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F][=N][N][C][Branch1][S][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][C][O][C][O][=C][N][=C][Ring2][Ring1][=N][Ring1][=C] |
CHEMBL4291275 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
CHEMBL4291276 | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O] |
CHEMBL4291277 | [C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=Branch2][O][C][C][Branch1][C][O][C][O][C][Branch1][C][C][=C][Ring1][=N][N][Ring2][Ring1][#Branch1][C][C] |
CHEMBL4291278 | [C][N][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][#Branch1][C][Branch1][C][N][=O] |
CHEMBL4291279 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][P][N][=C][Ring2][Ring1][#Branch1][O][C][=C][Branch1][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C] |
CHEMBL4291280 | [C][C][C][Branch1][C][C][N][N][=C][N][Branch2][=Branch1][#Branch2][C][=C][C][=C][Branch2][Branch1][=C][N][C][C][N][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][O][C][C@@H1][C][O][C@@][Branch1][N][C][N][C][=N][C][Branch1][C][C][=C][Ring1][=Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][C][C][=C][Ring2][Ring2][Branch2][C][Ring2][Ring2][=N][=O] |
CHEMBL4291281 | [C][O][C][=Branch1][C][=O][C@@][C@][Branch1][C][O][O][C@@H1][C][=C][C][=Branch1][=C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][Branch1][C][C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][O][C][C@@][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][#Branch1][O][C@H1][Ring2][Ring1][#Branch2][C][C@][Ring1][#Branch2][Ring2][Ring1][=N][O][C@][Ring2][Ring1][O][Ring2][Ring1][#C][C] |
CHEMBL4291359 | [C][C][N][C][=C][C][Branch1][S][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=N][C][=N][Ring1][P] |
CHEMBL4291360 | [F][C][=C][C][=C][Branch2][Ring2][#Branch1][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][O][C][C][O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Branch1][C][F][=C][Ring2][Ring1][P] |
CHEMBL4291361 | [C][C][=C][C][Branch1][C][C][=N+1][Branch2][Ring1][O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1].[O-1][Cl+3][Branch1][C][O-1][Branch1][C][O-1][O-1] |
CHEMBL4291362 | [O][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][O][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] |
CHEMBL4291363 | [O][=P][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4291441 | [Cl].[N][C][=N][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][Branch2][=C][C][=C][Ring1][P][N][Ring2][Ring1][Ring2][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4291442 | [C][C][=C][C][=C][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Branch1][Ring1][O][C][C][C][C][C][=C][N][Branch2][Ring2][Ring1][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][N][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][#Branch1][C][Branch1][C][O][=C][Ring2][Branch1][C] |
CHEMBL4291443 | [O][=S][=Branch1][C][=O][C][C][C][C][N][Ring1][#Branch1][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL4291444 | [C][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] |
CHEMBL4291445 | [C][N][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][N][=C][Branch1][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][O] |
CHEMBL4291528 | [C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S][C][C][Ring1][Ring1] |
CHEMBL4291529 | [C][O][C][=C][C][=C][C][Branch2][=Branch1][P][C][O][C][=C][Branch2][Branch1][N][C][=C][C][=C][Branch2][Ring2][S][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][#C][C][C][C][C][O][C][=C][C][=C][Branch1][S][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][P][N][=N][Ring2][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][P][=O][=C][Ring2][Branch1][#Branch2] |
CHEMBL4291530 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][C][C][C][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] |
CHEMBL4291531 | [C][=C][C][=C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][=C][Ring1][P] |
CHEMBL4291532 | [O][=C][Branch1][C][O][C][=C][N][Branch1][Branch2][C][C][C][C][C][C][O][N][=N][Ring1][N] |
CHEMBL4291533 | [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@@H1][Ring1][Ring2][C][O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1] |
CHEMBL4291609 | [O][=C][Branch1][S][N][/N][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Br][N][C][=C][C][=C][Branch1][#C][O][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S] |
CHEMBL4291610 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][Ring1] |
CHEMBL4291611 | [C][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][=N][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][N][=C][Ring2][Ring1][=Branch2][Ring1][Branch2] |
CHEMBL4291612 | [C][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][S][Ring1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4291693 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][I][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4291694 | [C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][C][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=C][Ring1][S].[Cl] |
CHEMBL4291695 | [C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
CHEMBL4291696 | [Cl].[Cl].[N][=C][Branch1][C][N][N][C][=C][C][=C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=N][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4291697 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][P][/C][=C][/C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][#C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][S][O] |
CHEMBL4291698 | [C][C@H1][C@H1][Branch1][C][C][C][C][C@@][C][C][C@][Branch1][C][C][C@][Branch1][=Branch1][O][C][Ring1][Branch2][=O][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][=C][C@@][Branch1][C][C][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][N][C][C][C@][Ring1][S][Ring2][Ring1][=Branch2][C][C@H1][Ring2][Ring2][Ring1][Ring2][Ring1][=C] |
CHEMBL4291779 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=Branch1][=Branch2][=C][/C][=C][C][=C][S][Ring1][Branch1][S][C][Ring1][N][=S][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4291780 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][=C][C][=C][C][=C][Branch1][=Branch2][O][C][C][=C][Branch1][C][C][C][C][Branch1][=Branch2][O][C][C][=C][Branch1][C][C][C][=C][Ring2][Ring1][C][=C][O][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][#C] |
CHEMBL4291781 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=N][C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][#C][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][C][=N][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C].[Cl] |
CHEMBL4291782 | [O][=C][Branch1][C][O][C][C][C@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O] |
CHEMBL4291783 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch2][Ring2][=Branch1][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][P][N][C][Branch1][C][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL4291861 | [C][C][Branch1][C][C][Branch1][Ring2][C][C][#N][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][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] |
CHEMBL4291862 | [C][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][N][=N][Ring2][Ring1][C] |
CHEMBL4291863 | [C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O] |
CHEMBL4291864 | [C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][=N][C][Branch2][Ring1][S][N][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][Ring1][P][=N][C][C][=C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][Ring2][=Ring1][=C] |
CHEMBL4291865 | [O][=C][C][=C][Branch1][=N][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][NH1][C][=Branch1][C][=O][N][Ring1][#C][O] |
CHEMBL4291946 | [C][C][N][=C][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][S][C][=Ring1][N][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][Ring1] |
CHEMBL4291947 | [C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=N][C][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][=C] |
CHEMBL4291948 | [C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][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][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][#Branch1][C][C][Branch1][C][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][=O][O][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][Branch1][C][C][C][C][Branch1][C][N][=O] |
CHEMBL4291949 | [C][=C][C][C][C@H1][C@@][Branch1][C][C][Branch2][Ring1][Ring1][C][C][C@@H1][Branch1][C][O][C@@][Ring1][Branch2][Branch1][C][C][C][=Branch1][C][=O][O][C][C@@H1][Ring1][P][C][/C][=C][\C][=C][O][C][Ring1][Branch1][=O] |
CHEMBL4291950 | [C][C@H1][C][N][C][C@@H1][Branch1][C][C][N][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring2][N][C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1][C][=N][N][Ring2][Ring1][Ring2][C][=Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
CHEMBL4292036 | [C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][P][O][C][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P] |
CHEMBL4292037 | [C][O][C@@H1][O][C@H1][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][C][Br][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] |
CHEMBL4292038 | [C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][Branch2][Ring1][#C][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C@@H1][C][C@@][Branch1][C][C][C][=Branch1][=Branch1][=C][C][Ring1][#Branch1][=O][C][C][C][C@@H1][Ring1][#Branch2][C][C@@][Branch1][C][O][C][C][C][C@H1][Branch1][C][C][C@@][Ring1][Branch2][Branch1][C][C][C][Ring2][Ring1][#C] |
CHEMBL4292039 | [C][C][=Branch1][C][=O][O][C@@][C][O][C@@H1][Ring1][Ring2][C][C@H1][Branch1][C][O][C@@][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Branch1][C][C][C@@H1][Branch2][Ring1][P][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@@][Branch1][C][O][Branch2][Ring1][O][C@@H1][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C@@H1][Ring2][Ring2][S][Ring2][Branch1][#Branch1][C][Ring2][Ring2][=Branch1][Branch1][C][C][C] |
CHEMBL4292040 | [C][C][O][C][=Branch1][C][=O][C][C@H1][Branch2][Ring1][P][C@H1][O][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][C@H1][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL4292041 | [O][=S][=Branch1][C][=O][C][Branch1][C][F][C][C][C][N][Ring1][Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL4292120 | [C][C][S][C][Branch2][Ring1][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=Ring1][S][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][S][Ring1][=Branch1].[Cl] |
CHEMBL4292121 | [Cl].[C][N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][=C][Ring1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4292122 | [C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][C][Ring1][=N][=C][C][Ring1][P][=O] |
CHEMBL4292123 | [C][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][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4292201 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][Branch1][C][C][=C][Branch1][C][I][C][Branch1][C][C][=N+1][Ring1][Branch2][B-1][Branch1][C][F][Branch1][C][F][N][C][Branch1][C][C][=C][Branch1][C][I][C][Branch1][C][C][=C][Ring1][Branch2][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4292202 | [C][C][Branch1][C][C][Branch1][C][C][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] |
CHEMBL4292203 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=N][C][=N][C][Branch1][=C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1][Ring1][#C] |
CHEMBL4292204 | [C][N][Branch1][#Branch2][C][C][C][O][N+1][=Branch1][C][=O][O-1][C][C][=C][C][=C][Branch2][Ring1][P][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S][C][=N][Ring2][Ring1][N].[Cl].[Cl].[Cl] |
CHEMBL4292300 | [C][S][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4292301 | [O][=C][Branch2][Ring1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][N][=C][NH1][N][=Ring1][Branch1] |
CHEMBL4292302 | [C][O][C][=C][C][=C][C][Branch2][Branch1][#C][C][N][C][C][N][Branch2][Branch1][C][C][C@@][Branch1][C][O][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring1][#C][C][C][C@H1][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C@@][Ring1][Branch2][Branch1][C][C][C][C][C@@H1][Ring1][=N][Ring2][Ring1][C][C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=C][=C][Ring2][Ring2][Branch1] |
CHEMBL4292303 | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring2][=Branch2][N][/N][=C][/C][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][C][Ring2][Ring1][=Branch1][=O][=N][C][=Ring2][Ring1][=C][C] |
CHEMBL4292304 | [C][C][=N][C][Branch1][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][O][Ring1][S] |
CHEMBL4292305 | [C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][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][Branch2][=Branch1][S][C][S][S][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@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][Ring2][=Branch1][O][N][C][=Branch1][C][=O][C@H1][Branch2][#Branch2][Ring1][C][S][S][C][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][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][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][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][C][Branch1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][Ring2][O][#Branch1][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][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][Ring1][C][O][N][C][Ring2][=C][O][=O] |
CHEMBL4292385 | [C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][Ring1][=N][N][=C][N][Ring1][Branch1][C][C][C][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4292386 | [O][/N][=C][Branch1][=Branch2][\C][C][=C][C][=C][NH1][Ring1][Branch1][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] |
CHEMBL4292387 | [N][#C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O] |
CHEMBL4292388 | [O][=C][C][=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][O][C][=C][C][=C][C][=C][Ring2][Branch1][Branch2][Ring1][=Branch1] |
CHEMBL4292389 | [C][C][N][C][=Branch1][C][=O][C@@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4292390 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][N][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=C][C][=C][C][Branch1][=N][N][C][C][C][C][S][Ring1][=Branch1][=Branch1][C][=O][=O][=C][N][Ring2][Ring1][=Branch2][Ring1][=C][C][C][Ring2][Ring1][S] |
CHEMBL4292475 | [C][#C][C][=C][N][=C][N][Branch2][Ring2][C][C][C][Branch1][C][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch2][=N][N][Ring2][Ring1][=N][C] |
CHEMBL4292476 | [C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][Branch1][C][C][C][Ring2][Ring1][C] |
CHEMBL4292477 | [N][C][=C][C][=C][O][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL4292478 | [C][C][C][Branch1][C][C][N][N][=C][N][Branch2][=Branch1][#Branch1][C][=C][C][=C][Branch2][Branch1][O][N][C][C][N][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C@@H1][C][O][C@@][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][C][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1][C][Ring2][Ring2][N][=O] |
CHEMBL4292479 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][Se][C][C][=C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][Se][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4292557 | [C][C][C][=N][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][=Branch2][C][=C][Ring1][=N][C] |
CHEMBL4292558 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][Branch2] |
CHEMBL4292559 | [C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=Branch1][C][=O][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
CHEMBL4292560 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4292644 | [C][O][C][=C][C][Branch2][Ring1][#C][N][/C][=C][\C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N] |
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