chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL12402 | [C][C][Branch2][Ring2][Branch1][C][N][C][C][N][Branch2][Ring1][Branch2][C][C][Branch1][=Branch2][C][=C][C][=C][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][C][=C][Ring1][=Branch1] |
CHEMBL12403 | [C][N][Branch1][C][C][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][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1] |
CHEMBL12604 | [N][C][C][=C][N][Branch1][S][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][I][C][Ring1][Branch2][O][C][=Branch1][C][=O][N][=Ring1][S] |
CHEMBL12605 | [O][=C][Branch1][Ring1][C][Cl][N][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CHEMBL12697 | [C][C][=C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][N][Ring1][=N][Ring1][#Branch2] |
CHEMBL12699 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C] |
CHEMBL12700 | [O][=C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][Ring1][Branch2] |
CHEMBL12701 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
CHEMBL12628 | [O][C][C][N][C][C][N][Branch2][Ring2][=Branch1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2] |
CHEMBL12630 | [C][O][C][=C][C][=C][Branch2][#Branch1][S][O][C][C][Branch1][C][O][C][N][Branch2][Ring1][Ring2][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][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][Ring2][C][C][Branch1][C][O... |
CHEMBL1163448 | [C][=Branch1][P][=C][\C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][\C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CHEMBL12720 | [C][O][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2] |
CHEMBL12722 | [N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL522 | [N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12723 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][Branch1][#Branch1][N][=C][Branch1][C][N][N][C][Ring1][#Branch2][O][Ring1][=Branch2].[O][=N+1][Branch1][C][O-1][O] |
CHEMBL12651 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL12652 | [O][=C][C][C][C][/C][=C][\C][C@@H1][C][Branch2][Ring1][Ring2][/C][=C][\C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Branch1][C@H1][Branch1][C][O][C][C@@H1][Ring2][Ring1][C][O] |
CHEMBL12742 | [C][=C][C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][C][C][Branch1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][N][C][Ring1][=C][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C] |
CHEMBL1163455 | [C][O][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][=C][Ring2][Ring1][Ring1] |
CHEMBL12743 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C] |
CHEMBL4543318 | [N][#C][C][=C][Branch1][=Branch1][N][C][C][C][N][S][C][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][=C][Ring2][Ring1][C][N] |
CHEMBL1163437 | [Br].[C][C][O][C][=Branch1][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] |
CHEMBL12404 | [C][N+1][Branch1][Ring2][C][C][Br][Branch1][Ring2][C][C][Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1].[Br-1] |
CHEMBL12405 | [C][C][Branch1][C][Cl][C][N+1][Branch1][C][C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][Branch1][C][C][Cl].[Cl-1] |
CHEMBL12487 | [C][C][Branch2][Ring2][#C][C][N][C][C][N][Branch2][Ring2][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL12488 | [C][C][=Branch1][C][=O][O].[N][=C][Branch1][C][N][N][C][=C][S][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][C][Ring1][O][=Ring1][Branch2] |
CHEMBL12702 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][C][C][C][C][C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][Ring1][N][=O][C][C][Ring2][Ring1][#Branch1] |
CHEMBL12703 | [C][C][C][C][=N][C][=C][Branch2][Branch1][=N][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][S][C][N][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][=O][=C][R... |
CHEMBL12422 | [C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][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][Ring2][Ring1][Ring2] |
CHEMBL12423 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C].[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][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=... |
CHEMBL12425 | [O][=C][Branch2][Ring2][O][C@@H1][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][C][=N][Ring1][Branch1][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2] |
CHEMBL12426 | [C][C][C][=Branch1][=N][=C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Ring1][Branch2][C@H1][C][C][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] |
CHEMBL12724 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch2][/C][=N][/N][=C][Branch1][C][\N][N][O][=C][Ring1][#C].[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2] |
CHEMBL12725 | [N][C][=C][C][Branch2][Branch1][Branch1][C@H1][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2][=C][C][=C][Ring2][Ring2]... |
CHEMBL12445 | [C][=C][C@@H1][Branch1][C][O][C][C][C@][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][C][C@@H1][Ring2][Ring1][Ring1][Ring1][=C] |
CHEMBL12446 | [C][O][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][N][Branch1][S][C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][C][Ring2][Ring1][Ring1] |
CHEMBL12744 | [C][C][O][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL12745 | [C][N][Branch1][C][C][C][C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL12466 | [C][C][Branch1][C][C][N][Branch2][Ring1][#C][C][C][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][C][C] |
CHEMBL12467 | [C][=C][C][=C][Branch1][C][C][C][=C][C][NH1][C][Branch2][Branch1][Branch1][C][=C][N][=C][Branch2][Ring1][=C][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][=O][O][C][C][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Rin... |
CHEMBL12468 | [O][=C][C][C][C][/C][=C][\C][C@H1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C][Ring1][#Branch1][/C][=C][\C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][#Branch2] |
CHEMBL12489 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][S] |
CHEMBL12490 | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][Branch1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][N][C][Ring1][=C][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4543346 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C][C][=C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][Ring2][Ring1][C][C][=C][N][Ring2][Ring1][=Branch1][N][=Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4543347 | [C][C][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4543348 | [O][=N+1][Branch1][C][O-1][C][=C][Branch1][C][I][C][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL4543349 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][N][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=N][C][Ring2][Ring1][Ring1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL1163443 | [O][=C][Branch2][Ring1][Ring2][N][C][C][S+1][Branch1][C][O-1][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] |
CHEMBL12583 | [C][C][Branch1][C][C][N][Branch2][Ring1][S][C][C][C][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][C] |
CHEMBL12584 | [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] |
CHEMBL12427 | [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch2][Ring1][#Branch1][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][C][C][Ring2][Ring1][=Branch1] |
CHEMBL12506 | [N][C][=C][C][=C][Branch2][Branch1][Branch1][C@H1][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2][C][=C][Ring2][Ring2]... |
CHEMBL12509 | [O][=N][N][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][N][C][C][C][S][C][C][Ring1][=Branch1] |
CHEMBL4543350 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1] |
CHEMBL4543351 | [C][C][=C][C][Branch1][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][C][=C][Ring1][#C][O][C][=N][C][Branch1][=C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][C][=C][S][C][Ring2][Ring1][C][=Ring1][Branch1] |
CHEMBL4543352 | [C][C][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4543353 | [C][C][=C][C][Branch2][Ring2][Branch2][N][C][C][N][Branch2][Ring1][N][C][C][=N][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=Branch1][C][=O][C][=Ring1][S][Cl][C][C][Ring2][Ring1][#Branch1][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][S] |
CHEMBL4543354 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][=C][C][=C][Ring1][O][C][C][=C][Branch1][C][C][C][C][=C][Ring2][Ring1][O] |
CHEMBL4543355 | [C][=C][C][=Branch1][C][=O][C@@][C][=Branch1][C][=O][O][C][C@][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][=Branch2][C][=O][C@@H1][Ring1][P][C][C][C@@H1][Ring2][Ring1][#Branch1][C@H1][Ring2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][... |
CHEMBL4543356 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring2] |
CHEMBL4543357 | [O][=C][Branch2][Ring1][C][/C][=C][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=C][=O][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4543358 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][C][N][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][Branch1][C][C][C][N][C][=Branch1][C][=O... |
CHEMBL4543359 | [O][=C][Branch2][Ring1][Ring2][N][/N][=C][/C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4543360 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][Branch1][=C][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring1][O][C][C][=N][Ring2][Ring1][#C] |
CHEMBL4543361 | [C][C][=Branch1][C][=O][N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][O] |
CHEMBL12448 | [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][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][#C][Ring2][Ring1][Branch1] |
CHEMBL12449 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C][C@@H1][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL12450 | [O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][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][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL12530 | [C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
CHEMBL12531 | [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] |
CHEMBL12469 | [C][C][O][C][=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][Ring2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][/N][=C][Branch1][C][\S][N][C] |
CHEMBL12470 | [O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CHEMBL12552 | [C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][Ring2][Ring1][Ring2] |
CHEMBL12553 | [C][C][=Branch1][C][=O][O][C][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][Ring1][#C] |
CHEMBL12554 | [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] |
CHEMBL12555 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C][O][C][C][Branch1][C][C][N][C][=C][Ring2][Ring2][Branch2] |
CHEMBL12556 | [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][Ring2][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][N].[Cl-1] |
CHEMBL12558 | [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][N][Ring2][Ring1][Branch1][C][Branch1][C][C][=O].[Cl-1] |
CHEMBL12585 | [C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][C][/C][=C][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring1][P][Ring2][Ring1][Branch2] |
CHEMBL12586 | [C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2].[N][/C][=Branch1][Ring1][=N][\O][N][/N][=C][/C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL12587 | [C][C@@H1][O][C@H1][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][#Branch2][O] |
CHEMBL12588 | [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][Branch1][=Branch1][C][O][C][C][F][=C][Ring2]... |
CHEMBL12686 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][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][C][=C][Ring2][Ring1][#C] |
CHEMBL12687 | [C][C][O][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][C][C][C][C][Ring1][#C] |
CHEMBL12510 | [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][=Branch2][N][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][... |
CHEMBL12511 | [C][C@@H1][O][C@H1][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][#Branch2][F] |
CHEMBL12606 | [C][C][C][C][=C][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][N][C][Ring1][N] |
CHEMBL12607 | [C][N][C][=C][C][=C][C][Ring1][=Branch1][=O] |
CHEMBL12608 | [C][C][NH1][C][=N][C][=Ring1][Branch1][C][S][C][C][N][C][=Branch1][C][=N][N][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1] |
CHEMBL12609 | [C][O][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][=N][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL12610 | [C][N][Branch1][C][C][C][C][C][O][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] |
CHEMBL12532 | [C][S][C][=N][N][=C][Branch2][Ring1][S][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][S][Ring2][Ring1][Ring2] |
CHEMBL12533 | [C][=C][C][=C][N][=C][Branch2][Ring1][#Branch2][C][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][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL12534 | [C][O][C][=C][C][=C][C][=Branch1][#Branch2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C] |
CHEMBL12631 | [O][=C][Branch1][C][O][C][O][C][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][Branch2] |
CHEMBL12632 | [C][C][Branch1][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] |
CHEMBL12559 | [N][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL12562 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Ring1][Branch2] |
CHEMBL12563 | [O][=N][N][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][N][C][C][F] |
CHEMBL12653 | [N][C][C][C][=C][N][Branch2][Ring1][=N][C][=C][C][=N][C][Branch1][C][O][=C][Branch1][C][O][N][=C][Ring1][Branch2][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F][C][=Ring2][Ring1][Branch1] |
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