chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL12493 | [C][S+1][Branch1][C][O-1][C][=C][C][=C][N][=C][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P] |
CHEMBL12494 | [O][=C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL12590 | [C][C][C][C][=N][C][=C][Branch2][Ring2][#C][N][Ring1][Branch1][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][C][F][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][C][Ring2][Ring2][... |
CHEMBL12431 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][N][Branch2][Ring1][#Branch2][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][Branch2][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1][C][=Ring2][Ring1][Ring2] |
CHEMBL12513 | [O][=P][Branch1][C][O][Branch1][C][O][C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring2][Ring1][Ring1][Ring1][Branch2] |
CHEMBL12514 | [C][C@][C][C][C@][Branch1][Ring2][C][Ring1][Branch1][C@H1][Branch1][=Branch1][C][C][Ring1][Branch2][=O][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C@][Ring2][Ring1][Ring1][Branch1][C][C][C][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][=Branch1][C][=O][O] |
CHEMBL12515 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Ring1][=C] |
CHEMBL12536 | [C][C][C][C][C][/C][=C][\C][/C][=C][\C][Branch1][C][C][Branch1][C][C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O] |
CHEMBL12538 | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL12539 | [C][C][C][C][C][C@][Branch1][C][C][Branch1][C][O][/C][=C][/C][C@@H1][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][Ring1][=C] |
CHEMBL12540 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL12638 | [C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C@H1][C][C@H1][Ring1][Ring1][C][C][Ring1][N][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1] |
CHEMBL12639 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C]... |
CHEMBL511 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL12474 | [C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring2][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL12475 | [C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL12476 | [C][N][C][C][C][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][O][Ring1][Branch2][C][Ring1][=C] |
CHEMBL12564 | [Cl][C][=C][C][=C][C][Branch2][Branch1][Ring1][N][C][C][N][Branch2][Ring2][#Branch1][C][C][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][Branch1][N][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#C][=C][Ring2][Ring2][Branch1] |
CHEMBL12565 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][C][C][Ring1][#Branch1][O] |
CHEMBL12592 | [C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL12593 | [O][=C][N][C][C][C][N][Ring1][=Branch1] |
CHEMBL12594 | [C][O][N][C][C][/C][=Branch2][Ring1][P][=C][\C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][C][Ring2][Ring1][Branch1][=O] |
CHEMBL12693 | [C][C][C][C][C][N][=C][Branch1][Branch1][C][C][C][C][N][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][Branch1][C][F][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][N][=Ring2][Ring1][O] |
CHEMBL12516 | [C][C][C][N][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][#Branch2][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1] |
CHEMBL506 | [C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P] |
CHEMBL12613 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CHEMBL12614 | [C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][=C][C][=C][Ring1][=N][O][Ring2][Ring1][=Branch2] |
CHEMBL12640 | [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][Ring1][=C] |
CHEMBL12642 | [C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C][C@@H1][C][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][Ring1][=C] |
CHEMBL4559970 | [C][C][N][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2] |
CHEMBL12731 | [C][C][C][C][C][C@@H1][/C][=C][\C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][C@@H1][Ring1][#Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1] |
CHEMBL1163454 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1] |
CHEMBL12566 | [C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C][C][N][C][C][O][C][Branch1][C][O][C][Ring1][#Branch1] |
CHEMBL12567 | [C][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=C][Ring1][=C] |
CHEMBL12569 | [C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O-1].[Na+1] |
CHEMBL12657 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12658 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] |
CHEMBL12659 | [C][C][=C][Branch1][#Branch1][C][Branch1][C][O][C][O][C][=C][C][=N][C][=Branch2][Branch1][Ring1][=C][C][NH1][C][Branch2][Ring1][=N][C][=C][NH1][C][=Branch1][=Branch2][=C][C][Ring2][Ring1][Branch1][=N][Ring1][S][C][Branch1][C][C][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][C][C][=Branch1][... |
CHEMBL12694 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][O][C][S][C][C][/N][=C][/N][C][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][Ring1][=Branch2][O][Ring2][Ring1][=Branch2] |
CHEMBL12695 | [C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2] |
CHEMBL12696 | [O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch2][Ring1][=N][N][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][P][C][=C][Ring2][Ring1][O][... |
CHEMBL1163450 | [Br].[O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][S][C][=N][Ring2][Ring1][Ring2] |
CHEMBL12412 | [C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][Ring1][C][O][C][Branch2][Ring1][#Branch2][C][=C][C][=N][C][Branch1][S][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring1][P][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL12413 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][N][Ring1][=C][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12616 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][/N][=C][Branch1][C][\S][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] |
CHEMBL12710 | [C][C][C][C][C][/C][=C][Branch1][N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C] |
CHEMBL12711 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][Branch1][N][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][=C] |
CHEMBL12712 | [N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4559980 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=N][Ring1][#C] |
CHEMBL4559981 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch2][Ring2][#Branch1][C@@H1][O][C@H1][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][=C][Branch1][C][O][C][Branch2][Ring2][#Bran... |
CHEMBL4559982 | [C][O][C][=C][C][Branch2][Ring2][#Branch1][N][C][C][C][Branch2][Ring1][O][C][Branch1][C][N][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][C][C][Ring2][Ring1][Ring2][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][O][Cl] |
CHEMBL4559983 | [N][C][C][C][C][C][N][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4559984 | [N][C][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C... |
CHEMBL12713 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][N][C][C][C][Branch2][Ring1][=C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][P][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1] |
CHEMBL12732 | [C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12733 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL12734 | [C][=C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O] |
CHEMBL12735 | [N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] |
CHEMBL12456 | [O][=C][Branch1][Ring1][N][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] |
CHEMBL12572 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][/C][=C][/C][=N][NH1][C][Branch1][C][O][=N][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][O] |
CHEMBL12573 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][O][C][Ring1][P][=O] |
CHEMBL12575 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL12665 | [N][C][=C][C][=C][Branch2][Ring1][=C][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][#Branch2][C][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch2][C][Ring1][=C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL12414 | [C][C@H1][Branch2][Ring2][C][N][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CHEMBL12415 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][C][Ring1][N] |
CHEMBL12416 | [F][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch2][Ring1][=Branch2][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C] |
CHEMBL12714 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][Ring1][=C][=O] |
CHEMBL12432 | [C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][O][C] |
CHEMBL12433 | [C][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O] |
CHEMBL12434 | [C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P] |
CHEMBL12435 | [C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][=Branch1][C][=O][O] |
CHEMBL12436 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][Ring1][P] |
CHEMBL12437 | [O][=C][Branch1][C][O][C][C][C][=C][NH1][C][Branch2][#Branch1][C][C][C][NH1][C][Branch2][Branch1][#Branch1][C][C][NH1][C][Branch2][Ring1][N][C][C][NH1][C][Branch1][Ring1][C][O][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Ring1][O][C][C][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][... |
CHEMBL12457 | [C][C][N][C][C][N][Branch2][Ring2][=N][C][Branch2][Ring1][=C][C][N][C][C][N][Branch2][Ring1][C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][S] |
CHEMBL12459 | [O][=C][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL12460 | [F][C][=C][C][=C][Branch2][Branch1][Ring1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2] |
CHEMBL12390 | [C][N][/C][Branch1][C][S][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL12391 | [C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=C][C] |
CHEMBL1163436 | [C][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C][=Branch2][Ring1][=N][=C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][Cl][C][C][C@][Ring1][P][Ring1][=N][C][C][C@][Ring2][Ring1][#Branch1][Branch1][C][C][C][C][C@H1][Ring2][Ring1][=N][C][Ring2][Ring1][P][Branch1][C... |
CHEMBL12392 | [N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL12477 | [C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=Branch1][=Branch1][=C][Ring1][N][Ring1][Branch2][C][Ring1][#C] |
CHEMBL12478 | [C][C][N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][=Branch1] |
CHEMBL12497 | [C][S][=Branch1][C][=O][=Branch1][C][=O][O].[O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
CHEMBL12498 | [C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL12499 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C@H1][C][C@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][S][Ring2][Ring1][Branch1].[Cl-1] |
CHEMBL1163447 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][N+1][=C][S][C][Branch1][Ring2][C][C][O][=C][Ring1][Branch2][C].[Cl-1] |
CHEMBL1163438 | [O][=C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][=N][C][N][C][=N][C][=N][Ring1][Branch1] |
CHEMBL12438 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C@H1][C][C@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][Ring2][Ring1][Branch1].[I-1] |
CHEMBL12439 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C@H1][C][C@@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][O][Ring2][Ring1][Branch1].[I-1] |
CHEMBL12517 | [O][=S][=Branch1][C][=O][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] |
CHEMBL12518 | [C][C][C][C][C][N][=C][Branch2][Branch1][=C][C][C][=C][C][=C][Branch2][Ring2][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch2][Ring1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ri... |
CHEMBL12519 | [O][=N][N][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][N][C][C][S][C][S][C][Ring1][=Branch1] |
CHEMBL12520 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][#C][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C] |
CHEMBL12521 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][O][Ring1][#Branch1] |
CHEMBL12542 | [C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL12543 | [C][N][C][C][C][C][Ring1][Branch1][=O] |
CHEMBL12544 | [C][O][C][=C][C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CHEMBL12545 | [C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Ring1][#Branch2] |
CHEMBL12546 | [O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][N][Ring1][Branch2] |
CHEMBL12480 | [C][C][Branch2][Ring2][Branch2][C][N][C][C][N][Branch2][Ring1][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
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