chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL4228813 | [C][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][N][C][=N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=C][=O][=N][C][NH1][C][=C][C][Branch1][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#C][C][Ring2][Ring2][S][=Ring2][Ring1][C] |
CHEMBL4228891 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][#C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
CHEMBL4228892 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=N][N][=C][S][C][Branch1][#Branch2][/C][=C][/C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#C][Ring1][N][=C][Ring2][Ring1][Branch1] |
CHEMBL4228893 | [C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4228894 | [O][=N+1][Branch1][C][O-1][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4228895 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][/N][=C][Branch1][C][C][/C][=N][/N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4228987 | [C][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][N][Ring1][=C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2] |
CHEMBL4228988 | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][O][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][P] |
CHEMBL4228989 | [O][=C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][N][Ring1][N][C][C][C][C][C][Branch1][Branch2][C][C][Ring1][#Branch1][C][Ring1][=Branch1][C][Ring1][=Branch2] |
CHEMBL4228990 | [C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][N][O][C][C][Branch1][C][F][C][N][C][C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring1][Ring2] |
CHEMBL4228991 | [C][C][Branch1][C][C][C][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][N][C][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][/C][=Branch1][=N][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][B][Branch1][C][O][O] |
CHEMBL4228992 | [C][C@H1][C][C][=N][NH1][C][=Ring1][Branch1][C][N][Ring1][Branch2][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][N][Ring2][Ring1][#Branch2] |
CHEMBL4228993 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4229073 | [C][=C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
CHEMBL4229074 | [C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][C] |
CHEMBL4229075 | [C][C][/C][Branch1][C][C][=C][\O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][Branch1][C][C][O][C][Ring2][Ring2][C][=O] |
CHEMBL4229076 | [C][O][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][N][C@@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C@@][Branch1][C][O][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1] |
CHEMBL4229077 | [O][=C][Branch2][Ring1][P][C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] |
CHEMBL4229078 | [N][C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][#C] |
CHEMBL4229079 | [O][=C][Branch2][Ring2][S][C][N][C][C][C@@][Branch1][Ring1][C][O][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][N][=C][Ring1][S][C][Ring2][Ring1][#Branch2][N][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][C] |
CHEMBL4229080 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][N][=C][Branch1][C][N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Branch2][=Ring1][=C][C][=C][Ring2][Ring1][=C] |
CHEMBL4229163 | [O][=C][C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][=C][NH1][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][N][Ring2][Ring1][Branch2][Ring1][#C] |
CHEMBL4229164 | [C][O][C][=N][C][=C][Branch2][Branch1][#Branch2][C][=C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][=Branch1][C][N][C][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C][=N][Ring2][Ring1][Ring2][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O] |
CHEMBL4229165 | [C][S][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1][C][#N] |
CHEMBL4229166 | [C][C@][C][C][C@@H1][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring2][C][C][C@H1][Ring2][Ring1][Branch2][C@@H1][Ring2][Ring1][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring2][C][O] |
CHEMBL4229167 | [C][C][=C][C][=C][Branch2][Ring1][S][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][=C][Branch1][C][N][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2][C][=C][Ring1][S][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4229168 | [C][C][O][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1] |
CHEMBL4229252 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][=C][S][C][=Ring1][Branch1][Ring1][O] |
CHEMBL4229253 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4229254 | [C][/C][=C][/C][=Branch1][C][=O][C][/C][Branch1][C][C][=C][/C][C@][Branch1][C][C][C][C][C@][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][C][C][C@H1][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1] |
CHEMBL4229255 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][S][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C] |
CHEMBL4229256 | [C][#C][C][O][C][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][N] |
CHEMBL4289341 | [C][C][O][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][=C][Branch1][Ring2][O][C][C][C][=C][Ring2][Ring1][Branch1][C] |
CHEMBL4289342 | [N][C][=C][C][=C][N][=C][C][Branch1][#C][C][#C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] |
CHEMBL4289343 | [C][C][=C][C][Branch2][Ring2][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch2][=N][NH1][Ring2][Ring1][=Branch2] |
CHEMBL4289344 | [C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O] |
CHEMBL4289426 | [C][N][C][=C][C][Branch1][S][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=N][N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][O][=C][N][=C][Ring2][Ring1][O][Ring1][=C] |
CHEMBL4289427 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] |
CHEMBL4289428 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4289429 | [C][C][Branch1][C][C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][C][Ring2][Ring1][#Branch1][=Ring1][=C] |
CHEMBL4289509 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][N][O] |
CHEMBL4289510 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][S][C][=C][Ring1][S][C][C][C][C][C][Ring1][#Branch1] |
CHEMBL4289511 | [N-1][=N+1][=N][C@][Branch1][Ring1][C][O][O][C@@H1][Branch1][#C][N][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=N][Ring1][Branch2][C@@H1][Branch1][C][F][C@@H1][Ring1][S][O] |
CHEMBL4289512 | [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][#N][C][Branch1][C][C][C] |
CHEMBL4289592 | [O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring1][P][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4289593 | [C][O][C][=C][C][=C][Branch2][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][#C][C][=C][Ring2][Ring2][Branch2] |
CHEMBL4289594 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C][=C][C][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL4289595 | [Br][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] |
CHEMBL4289596 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][N][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][Branch2][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] |
CHEMBL4289682 | [O][=C][Branch1][C][O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C] |
CHEMBL4289683 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][/C][=Branch1][=N][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][Ring1][=C][=S][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4289684 | [C][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][S][O] |
CHEMBL4289685 | [C][O][C][=C][C][=C][C][Branch2][Ring2][C][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2] |
CHEMBL4289686 | [C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C@H1][Branch1][C][C][N][=C][Ring1][Branch2][C] |
CHEMBL4289687 | [C][C][=C][C][=C][Branch1][=N][O][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][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][Ring2][Ring2][#Branch1] |
CHEMBL4289688 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S][=N][C][=C][Ring2][Ring1][#Branch1][Cl][=C][Ring2][Ring1][#C] |
CHEMBL4289689 | [C][O][C@@H1][Branch2][=Branch1][Ring2][C][C@@H1][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C][/C][=C][/C][=Branch1][C][=O][C@H1][Branch1][C][C][C@H1][Branch1][C][C][C][=C][O][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][O][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][O][C][=Branch1][Ring2][=N][Ring1][Branch1][/C][=C][/C][C@H1][Branch1][Ring1][O][C][C@H1][Ring2][Ring2][=Branch1][C][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][N][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][C@H1][Branch1][C][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][C][/C][=C][/N][Branch1][C][C][C][=O] |
CHEMBL4289690 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Branch1][Branch1][C][=Branch1][C][=O][O][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][C][C][/C][=C][/C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C] |
CHEMBL4289779 | [N][#C][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][S] |
CHEMBL4289780 | [C][C][N][C][=Branch1][C][=O][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][Ring1][C][C][S][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] |
CHEMBL4289781 | [C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][=C] |
CHEMBL4289782 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][=N][C][=Branch1][C][=O][/N][=C][\C][=C][C@][C][C@H1][C][C@H1][Branch1][O][O][C@@][Ring1][Branch1][Branch1][C][C][C][Ring1][=Branch2][C@H1][Ring1][#Branch2][C@][Ring1][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C][=C][Ring2][Ring2][Branch2] |
CHEMBL4289783 | [F][C][=C][C][=C][Branch2][Ring1][S][N][C][C][N][Branch2][Ring1][Ring2][C][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#C] |
CHEMBL4289865 | [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][Branch1][=C][S][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][O][C][Ring1][Branch1][=O] |
CHEMBL4289866 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][S][=C][O][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=N] |
CHEMBL4289867 | [C][=C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][Branch1][S][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4289868 | [C][C@][C][C@@][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C@@H1][Ring2][Ring2][Ring2][C@H1][Branch1][#Branch2][C][C@H1][Ring2][Ring2][=Branch2][C][Ring2][Ring2][Branch2][O][Ring2][Ring2][O] |
CHEMBL4289869 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][C][O][C][C][O][C][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] |
CHEMBL4289951 | [C][N+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][N][C][C][Branch2][Ring2][S][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C@H1][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@@H1][Ring1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][Ring2] |
CHEMBL4289952 | [C][C][C][=C][N][Branch1][#C][C@@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][C][=N+1][Ring1][#C][O-1] |
CHEMBL4289953 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=N][Ring1][=C][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][O][Ring1][Ring2] |
CHEMBL4289954 | [C][S][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4289955 | [C][N][Branch1][C][C][C][C][C][N][Branch2][Branch1][Ring2][C][=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][C][Branch1][S][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][Ring2][Ring1][=N][C][C][Ring2][Ring2][Ring1] |
CHEMBL4289956 | [O][=C][C][C][C][C][N][Branch2][Ring2][Ring2][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Ring2][Ring1][Ring1][Ring1][=Branch2][C][C][N][Ring2][Ring1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4289957 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Branch1][#Branch1][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][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][P][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][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][#C][Ring2][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][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][O][Ring1][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@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O] |
CHEMBL4289958 | [C][O][C][=C][C][=C][Branch2][Ring2][S][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][O][F][C][=C][N][=C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch1][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4289959 | [C][=C][C][=C][C][=C][C][Branch2][Ring2][C][C][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][C][Branch1][O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][C][=N][Ring2][Ring1][Branch2] |
CHEMBL4290036 | [O][=C][Branch1][Ring1][C][O][N][C][C][C][C][Branch1][P][C][NH1][N][=C][C][=Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C] |
CHEMBL4290037 | [C][O][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][\S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL4290038 | [C][O][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] |
CHEMBL4290039 | [C][O][C][N][=C][Branch2][Ring1][Branch1][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][S][C][=Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N] |
CHEMBL4290040 | [C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4290041 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C] |
CHEMBL4290131 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][O][C] |
CHEMBL4290132 | [C][O][C][=C][C][=C][C][=C][Branch1][N][N][C][C][=C][Branch1][C][C][NH1][N][=Ring1][=Branch1][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] |
CHEMBL4290133 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][N][Ring1][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4290134 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][C][=C][Ring1][P] |
CHEMBL4290217 | [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][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=C] |
CHEMBL4290218 | [C][O][C][=C][Branch1][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][=C][Ring2][Ring1][Branch2][C] |
CHEMBL4290219 | [C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][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] |
CHEMBL4290220 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][S][Ring1][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch2] |
CHEMBL4290297 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][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][=C][Ring1][=N][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4290298 | [C][C][Branch1][C][C][O][C@H1][O][C@H1][Branch2][Ring1][#Branch1][C@H1][Branch1][Ring2][C][C][O][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][O][O][Ring2][Ring1][#C] |
CHEMBL4290299 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4290300 | [C][C][C][C][C][C][C][C][O][C][C][O][C][C][O][C][C][O][C][C][C][O][C][C][O][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] |
CHEMBL4290301 | [C][C][C@H1][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][Branch2][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][C][=C][Branch1][=Branch1][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][Ring2][#Branch1][Ring1][=O] |
CHEMBL4290302 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][Ring1][Branch2][=C][Ring1][N][Ring1][#C] |
CHEMBL4290303 | [O][=S][=Branch1][C][=O][Branch2][Ring1][O][N][C][C][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][O][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4290397 | [C][C][#C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C@H1][C][O][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][O][Ring1][N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4290398 | [O][C][=C][C][=C][Branch2][Ring1][=C][C][C][O][C][=C][N][=C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring1][S][Ring1][N][C][=C][Ring2][Ring1][=Branch2] |
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