chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL498956 | [C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Bra... |
CHEMBL154556 | [C][C][C][C][C@H1][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=Branch1][C][=O][O] |
CHEMBL503973 | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C][C@H1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring2][#Branch2][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1... |
CHEMBL503974 | [C][C@H1][Branch2][Branch1][#Branch2][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][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][O]... |
CHEMBL503977 | [C][#C][/C][=C][\C][C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][Branch1][C][O][/C][=C][/C][C][C][C][#C][C@H1][Branch1][C][O][C][#C][C][C][C][C][C][C][/C][=C][/C@@H1][Branch1][C][O][C][#C] |
CHEMBL501130 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][S][Ring1][#Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C]... |
CHEMBL501132 | [C][O][C][=Branch1][C][=O][C][=C][O][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][C][Branch1][Ring1][C][O][=C][C@@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][/C][=C][\C][=C][C][=C][Branch1][Ring1][O][C][C][=C][... |
CHEMBL501251 | [C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][=C] |
CHEMBL501256 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL501259 | [C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][Branch1][=N][O][C][C@H1][O][C@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][... |
CHEMBL501507 | [C][C@@H1][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][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][Branch... |
CHEMBL501508 | [C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][\C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O] |
CHEMBL507303 | [C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][C@@][Branch1][C][O][C@@H1][Branch2][Ring1][#Branch2][C][=C][Branch1][Ring1][C][O][C][C@@][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C@H1][Ring1][Branch2][Ring1][S][C@@H1][C][Branch1][C][C][Branch1][C][C][C@][Ring2][Ring1][Branch2][... |
CHEMBL507305 | [C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][Cl][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C@][Branch1][C][C][O][C@H1][Ring1][Ring2][C@H1][Branch1][C][C][C@@H1][C][C@@][Branch1][C][O][Branch1][=Branch2][N][C][=Branch1][C][=O][O][Ring1][Bran... |
CHEMBL507307 | [C][=C][C][Branch1][P][C][C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Ring2][Ring1][C] |
CHEMBL507315 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][... |
CHEMBL507459 | [C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@@][Branch1][C][O][C@@H1][Branch1][P][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1... |
CHEMBL507464 | [N][#C][C][=C][Branch1][C][N][N][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][=C][Ring1][P][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL540947 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][=Branch1][C][C][=Branch1][C][=O][C@H1][Branch2][Ring2][Ring2][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring... |
CHEMBL540951 | [C][O][C][=C][C][Branch2][Ring1][C][C][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C].[Cl] |
CHEMBL541532 | [C][C][Branch1][C][C][C][C@H1][Branch1][C][O][C][Branch2][Branch1][Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][N][C][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring... |
CHEMBL524158 | [C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][N][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][Branch2][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][O][C][#C][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][=N] |
CHEMBL524505 | [Cl].[O][C@@][C][C][C][C][C@@][Ring1][=Branch1][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C@@H1][Ring1][#C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][Ring2][Ring1][=Branch2] |
CHEMBL1163200 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C@H1][Branch2][Ring1][=N][O][C][=Branch1][C][=O][C@@][C][C][C@@][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][Ring1][Branch2][C][Ring1][=Branch2][Branch1][C][C][C][C@@H1][R... |
CHEMBL537349 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=C][C].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL154414 | [C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][O][C][=Branch1][C][=O][C][Ring1][Branch2] |
CHEMBL552528 | [C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][C][N][=N][Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] |
CHEMBL552542 | [C][O][C][=C][C][=C][C][Branch1][#C][C][C][C][N][C][C][C][C@@H1][Branch1][C][C][C][Ring1][#Branch1][=C][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2].[Cl] |
CHEMBL552739 | [C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][C][N][C][C][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][Branch1][C][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-... |
CHEMBL503979 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch... |
CHEMBL503982 | [C][C][/C][=C][/C][=C][/C][=C][/C][=C][/C][=O] |
CHEMBL503986 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=... |
CHEMBL504142 | [O][=C][C][=C][C][=N][C][=C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][N][Ring1][S][C][Ring1][=C][=Ring1][#Branch2] |
CHEMBL504150 | [C][=C][C][O][C@@][Branch2][#Branch1][#Branch1][O][C@H1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch2][Ring2][Branch2][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branc... |
CHEMBL504331 | [C][O][C][Branch1][C][C][Branch1][C][C][C][C][N][N][=C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][N][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][#C][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring2][C] |
CHEMBL504332 | [C][C][=Branch1][C][=O][O][C@@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][/C][Branch1][C][C][=C][/C][=C][/C][Branch1][C][C][=C][\C][=Branch1][C][=O][C][C@@H1][C@][Ring1][=Branch1][Branch1][C][C][C][C][C@H1][C@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C@][Ring... |
CHEMBL504333 | [C][C][C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][=C][C@H1][Branch2][Ring1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C@][Branch1][C][O][C]... |
CHEMBL504339 | [N][C][=Branch1][C][=O][C][C@H1][Branch2][Ring2][P][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][... |
CHEMBL503838 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][Branch1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][Branc... |
CHEMBL503846 | [O][=C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] |
CHEMBL1204461 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][Branch1][=N][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL504178 | [C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch2][Branch1][O][O][C@H1][C@H1][Branch1][C][C][O][C@H1][O][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][=Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O... |
CHEMBL504372 | [C][O][C@@H1][C][O][C@@H1][Branch2][=Branch1][=Branch2][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][Branch2][O][C][C][C@@H1][Branch2][Ring2][=C][/C][=C][/C@@H1][Branch1][C][C][C@H1][C][C@@H1][Branch1][C][O][C@H1][C@@H1][C][C@H1][Branch1][C][O][C@H1][C][C@@H1][Branch1][C][O][C][C][C@][Rin... |
CHEMBL507530 | [C][O][C][=C][C][Branch2][#Branch1][=N][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][O][C@@][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Branch2][Ring1][#Branch2][O][C@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][O][C@H1][Br... |
CHEMBL507601 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][#C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][#C][C][C][=C][NH1][C][=C][C][=C... |
CHEMBL507700 | [N][C][=Branch1][C][=O][N][C][S][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][=C][C][=Ring2][Ring1][C][C][Branch1][C][N][=O] |
CHEMBL503907 | [O][=C][Branch1][C][O][C][C][C][C][=C][C][=C][Branch1][=C][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][#C] |
CHEMBL504095 | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C... |
CHEMBL504097 | [C][C][Branch1][C][C][C@H1][Branch2][=Branch2][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ri... |
CHEMBL504237 | [C][C][Branch1][C][C][C][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][#N] |
CHEMBL504249 | [C][C][C@@][Branch2][Ring1][#C][C@@H1][O][C@@H1][Branch2][Ring1][Ring2][C@H1][O][C@@][Branch1][C][O][Branch1][Ring1][C][O][C@H1][Branch1][C][C][C][C@@H1][Ring1][#Branch2][C][C][C@@H1][Ring1][S][C][C][C][C@H1][Branch2][Branch1][C][C@][Branch1][C][C][C][C][C][Branch2][Ring2][Ring2][C][C@H1][Branch1][C][O][C@@H1][Branch1]... |
CHEMBL504250 | [O][=C][Branch1][C][O][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][C@H1][Branch2][Ring2][C][C][N][C][C][C][Branch2][Ring1][Branch1][C][C][C][Branch1][Branch1][O][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][C@@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][... |
CHEMBL504252 | [C][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][=C][Ring1][O][C@@H1][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][C][C][C][C][C][O][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][O][=C][Ring1][#Branch2][C][=C]... |
CHEMBL504254 | [C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][=C] |
CHEMBL524833 | [C][/C][=C][\N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Branch2][=Branch1][N][C][=Branch1]... |
CHEMBL524907 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring2][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][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][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@H1][Branch2][=C][B... |
CHEMBL524910 | [O][=C][N][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][/C][Ring1][=Branch2][=C][\C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4116090 | [C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][N][C][=Branch1][C][=N][N][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][Ring2][Branch2][=... |
CHEMBL4116091 | [C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch2][Ring2][S][C@H1][Branch1][#Branch2][C][C@@H1][C][C][N][C][Ring1][Branch1][=O][N][C][=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][Branch1][C][Cl][=C][Ring1][#Branch1][S][=Branch1][C][=... |
CHEMBL4116092 | [C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=Branch1][=N][=C][Ring1][=Branch2][O][C][C][C][C][C][C][C][C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=Branch1][=N][=C][Ring1][=... |
CHEMBL4116093 | [O][=C][C][=C][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][C][=Branch1][#Branch1][=C][Ring2][Ring1][Branch1][Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch2][C][C][C][C][N][C][C][N][C][C][Ring1][=Branch1] |
CHEMBL525962 | [C][C][Branch1][C][C][C][C@H1][Branch2][N][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][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][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C... |
CHEMBL1207772 | [C][O][C][=C][C][=C][Branch2][#C][#Branch1][C][O][C][=Branch1][C][=O][/C][=C][Branch1][Ring1][\C][O][O][C][O][C][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch2][N][=Branch1][O][C][O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][B... |
CHEMBL525424 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1... |
CHEMBL525951 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch3][Ring1][Branch1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch3][Ring1][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1... |
CHEMBL157367 | [C][O][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C@@H1][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][Branch2][O][C][=Branch1][C][=O][O][C][C@H1][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][C][C@@][Ring1][=Branch2][Ring2][Ring1][Ring1][C@H1][Branch1][=Branch2][C@@H1][Branch1][C][O][C@@H1][Ring1][N][O][C@@][... |
CHEMBL552742 | [C][C][C][C][C][C][O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][S] |
CHEMBL1208484 | [O][=C][Branch1][C][O][C][=C][N][Branch2][Ring1][O][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=N][O][N][=N][Ring2][Ring1][Ring1] |
CHEMBL553887 | [C][O][C][=C][C][=C][Branch2][#Branch1][=Branch2][C][C@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][O][C][C][C@@H1][Branch2][Ring1][N][C][... |
CHEMBL1208034 | [O][=C][Branch2][Ring1][=N][C][P][=Branch1][C][=O][Branch1][C][O][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL526360 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Bra... |
CHEMBL525216 | [C][C][Branch1][C][C][C][C@H1][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1... |
CHEMBL525217 | [C][S][C][C][C@H1][Branch2][Branch2][=N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][=Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Bran... |
CHEMBL504374 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][N][=N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N] |
CHEMBL505149 | [C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][#Branch1][=N][O][C@H1][C@H1][Branch1][C][C][O][C@@H1][Branch2][Branch1][#C][O][C@H1][C@H1][Branch2][Ring2][#Branch2][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][O][C@H1][Ring1][=Branch2][O][... |
CHEMBL509192 | [C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][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][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C]... |
CHEMBL500758 | [C][#C][/C][=C][/C][C][C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C] |
CHEMBL500769 | [C][O][C@H1][C@H1][Branch2][=Branch1][C][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][P][C@H1][Branch1][C][O][C][C@@][Branch1][C][O][C@@H1][C@H1][Branch1][C][O][C][C@H1][Branch1][S][C@H1][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][C][C@@][Ring1][#C][Branch1][C][C][C][C][C@H1][Ring2][Ring1]... |
CHEMBL501136 | [C][O][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] |
CHEMBL501147 | [C][C][Branch1][C][C][C@H1][Branch2][Ring2][Ring2][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][C][N][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][... |
CHEMBL501266 | [C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][S][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][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][=C][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ri... |
CHEMBL501274 | [C][C][C][C][=Branch1][C][=O][O][C@H1][C][/C][Branch1][C][C][=C][\C@@H1][O][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][C][O][C@][Ring1][Branch2][Branch1][C][O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@... |
CHEMBL155439 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][=Branch2][C][C][=N][C][C][N][Ring1][Branch1][C][C][Ring1][S] |
CHEMBL498957 | [O][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][C][C][N][C][C][N][Branch2][Ring1][Branch2][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][N][Branch2][Ring1][Branch2][C][C][O][C][=Bran... |
CHEMBL504259 | [C][C@H1][Branch2][Branch1][#Branch2][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][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][O]... |
CHEMBL504420 | [C][C][C@@][Branch1][C][O][C][C@H1][Branch2][Branch1][=N][O][C@H1][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Branch2][Ring2][=Branch1][O][C@H1][C][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring1][O][C@@H1][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][=Branch2][C@H1][Branch1]... |
CHEMBL503258 | [C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][O][C][C@@H1][C@@][Branch1][C][C][Branch1][P][C@@H1][C][C@H1][C][C@@H1][Branch1][Ring1][O][C][O][C@H1][Ring1][#Branch1][O][Ring1][#Branch2][C@H1][Branch1][C][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring2][Ring1][=Branch1][Br... |
CHEMBL503261 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][#C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][#C][C][C][=C][NH1][C][=C][C][=C]... |
CHEMBL503262 | [C][C@][C][C][C@@H1][C][=C][C][=C][Branch2][=Branch2][Ring2][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][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][C][=C][C]... |
CHEMBL503266 | [C][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Branch1][=Branch1][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][C@][Rin... |
CHEMBL1204470 | [C][N][Branch2][Ring2][C][C][C][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O] |
CHEMBL503391 | [C][C][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C][=C][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C@@][Ring1][Branch2][Ring1][=N][C][C][Ring1][=Branch1][=O] |
CHEMBL503474 | [O][=C][C][C][C][C][C][C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] |
CHEMBL8532 | [C][C][Branch1][C][C][Branch2][Ring1][O][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][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][... |
CHEMBL536204 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][C][C][N][Branch2][Ring1][Branch2][C][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N].[Cl] |
CHEMBL536883 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL1076399 | [C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch1][#Branch1][N][C][Ring2][Ring2][C][=O][C][=Branch1][C][=O][N][C@@H1]... |
CHEMBL541537 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C@@H1][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][C@@H1][Ring2][Ring1][Branch1][O].[Cl] |
CHEMBL526533 | [N][C][=C][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][Ring1][N][=C][Ring1][S] |
CHEMBL526689 | [C][C@H1][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Bra... |
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