chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
|---|---|
CHEMBL11363 | [C][=C][C][N][C][C][C@@H1][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C@H1][Ring1][O][Ring1][=C] |
CHEMBL11364 | [O][=C][C][Branch1][C][Cl][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL1163367 | [C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][Branch1][C][O][C][N][Branch2][Ring2][=N][C][C][O][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring2][Ri... |
CHEMBL1163369 | [C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] |
CHEMBL11378 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch2][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=N][C][Ring1][#Branch2][=C][Ring1... |
CHEMBL11380 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL11381 | [C][C][C][N][C][C][C@@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@@H1][Ring1][N][Ring1][#C] |
CHEMBL11382 | [N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] |
CHEMBL11312 | [C][C][=Branch1][C][=O][C][=C][C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C] |
CHEMBL11313 | [C][C][=Branch1][C][=O][N][C][C][C][=Branch2][Ring1][P][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=C][N][=C][Ring1][=Branch2][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL11314 | [C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] |
CHEMBL11600 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][C][O][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring2][C] |
CHEMBL11466 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1]... |
CHEMBL11406 | [C][C][O][C][=Branch1][C][=O][C][=C][NH1][C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][C][Branch1][C][O][C][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=N] |
CHEMBL11340 | [C][C][=C][C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][C][=C][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][Ring1][Branch1] |
CHEMBL11341 | [O][=C][O][C][Branch1][C][O][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] |
CHEMBL11342 | [C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][C][=Ring1][N][N][Branch1][Ring1][C][C][C][Ring2][Ring1][Ring1][=O] |
CHEMBL11427 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][NH1][Ring1][Branch2][C][=C][Ring1][=C][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL3310358 | [O][=C][Branch1][C][O][/C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][\N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][S][Ring1][P] |
CHEMBL11450 | [C][C][N][Branch1][Ring1][C][C][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O] |
CHEMBL11452 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11453 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Bran... |
CHEMBL11454 | [O][=C][C][=N][N][Branch2][Ring1][N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][S][C][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][#C][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] |
CHEMBL11455 | [C][C][C][C][C][C@@H1][Branch1][C][O][/C][Branch1][C][F][=C][\C@H1][C@H1][Branch1][C][O][C][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][C] |
CHEMBL11383 | [C][O][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch2][=O] |
CHEMBL11385 | [C][N][C][=Branch1][C][=O][C][N][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][NH1][C][=Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] |
CHEMBL11386 | [C][C][C][N][C@@H1][Branch1][C][C][C][C@@H1][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C@@H1][Ring1][N][Ring1][S] |
CHEMBL11387 | [C][C][C][N][C@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@H1][Ring1][N][C][C@H1][Ring1][#C][C] |
CHEMBL11388 | [C][C][C][N][C][C][C@@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@H1][Ring1][N][Ring1][#C] |
CHEMBL11407 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL11408 | [O][=C][C][Branch1][C][Cl][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL11409 | [C][C][C][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][=O][C][C][Ring2][Ring1][=Branch1][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][N] |
CHEMBL11499 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][#Branch1][N][C][Branch1][C][Br][=N][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][N][C][C][C][Ring2][Ring1][Ring1] |
CHEMBL11428 | [C][C][Branch1][C][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL11429 | [C][N][Branch1][C][C][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][N][=Ring1][Branch2] |
CHEMBL11430 | [O][C][=C][Branch1][C][Cl][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][Ring1][P][Cl] |
CHEMBL11431 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][NH1][Ring1][#Branch2][C][=C][Ring1][S][Cl][C][=C][Ring2][Ring1][#C][O][C] |
CHEMBL11522 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL3310498 | [Cl][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][Branch1][Branch2][C][C][C][N][C][Ring1][Ring2][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] |
CHEMBL11542 | [C][N][Branch1][Ring2][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl] |
CHEMBL11543 | [C][C][C][C][C][C][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11546 | [C][/C][=C][Branch2][Ring1][C][\N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11547 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][Branch1][#Branch2][O][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][P][Ring1][N] |
CHEMBL11548 | [N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][=C][Ring1][#Branch1] |
CHEMBL11477 | [N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] |
CHEMBL11478 | [O][=C][C][=N][N][Branch2][Ring1][S][C][=C][C][Branch1][C][Br][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring1][P][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch2] |
CHEMBL1163374 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL11480 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][Ring1][=Branch1][C][C][N][C][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][C] |
CHEMBL11481 | [C][/C][=C][Branch1][S][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11574 | [C][/C][=C][Branch2][Ring1][Ring1][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11500 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][N][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P] |
CHEMBL11502 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C@H1][Branch2][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring2][C][O] |
CHEMBL11592 | [C][C][C][N][Branch2][Ring1][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][=O][C][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][N] |
CHEMBL1163376 | [N][C][=Branch1][C][=O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O] |
CHEMBL11523 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch2][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4560008 | [N][C][N][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=Ring1][=N] |
CHEMBL4560009 | [N][#C][C][=C][C][=C][Branch2][Ring2][Ring1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][N] |
CHEMBL11524 | [C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL11525 | [N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][Ring1][Branch2] |
CHEMBL11526 | [C][C][N][Branch1][C][C][C][C][N][Branch2][Ring2][O][C][C][O][C][C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring... |
CHEMBL11527 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][N][C][C][C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][S][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][Ring1][P][C][C][Ring2][Ring1][#Branch1][=C][C][=C][C][Ring2][Ring1][#C][=C][Ring2][Ri... |
CHEMBL501 | [C][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=S][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL11549 | [O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL11637 | [C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL11638 | [O][=C][C][=N][N][Branch2][Ring1][=N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][S][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1] |
CHEMBL11639 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][#C][NH1][Ring2][Ring1][C] |
CHEMBL1163380 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch2][Ring1][C][/C][=C][\C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
CHEMBL11575 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=N][C][Ring1][#Branch2][=C][NH1][Ring1][=C] |
CHEMBL4560020 | [N][=C][Branch1][C][N][N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][C@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=... |
CHEMBL4560021 | [C][C@H1][C@@H1][C][C@][Ring1][Ring1][Branch2][Ring2][#Branch1][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][Ring1][=N][Ring2][Ring1][#Branch1][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=C][O] |
CHEMBL4560022 | [O][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N] |
CHEMBL4560023 | [C][C][C@@H1][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] |
CHEMBL4560024 | [C][C][=C][Branch1][O][C][=N][S][C][=Branch1][C][=O][O][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][Ring2][Ring1][O][Ring1][S] |
CHEMBL4560025 | [Cl].[Cl].[O][C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][C][C][C][C][N][Ring1][=Branch1] |
CHEMBL4560026 | [C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][C][C][C][N][C][Ring1][=Branch1][=C][Ring1][S][O].[Cl] |
CHEMBL4560027 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4560028 | [C][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][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@... |
CHEMBL11576 | [C][/C][=C][Branch1][P][\N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL11577 | [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][C][C][Ring1][Branch2] |
CHEMBL11578 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring2][#C][C][C@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][S][C][Branch1][C][C][=O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring1] |
CHEMBL11579 | [C][N][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][Ring1][Branch2][C][C][=C][Ring1][P][C][=Branch1][C][=O][O] |
CHEMBL11593 | [C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl] |
CHEMBL11594 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C@H1][Branch2][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring1][O][O] |
CHEMBL11596 | [O][=C][Branch1][C][O][C][C][S][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL11316 | [C][O][C][C][O][C][C][N][Branch2][Ring2][O][C][C][C][C][C][S][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C] |
CHEMBL11317 | [O][=C][C][Branch1][C][Cl][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL11617 | [C][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][#C][C] |
CHEMBL1163378 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][O] |
CHEMBL11620 | [C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL11343 | [O][=C][C][Branch1][Ring1][C][O][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] |
CHEMBL11640 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring2][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL11365 | [C][=C][C][N][C][C][C@@H1][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C@@H1][Ring1][N][Ring1][#C] |
CHEMBL11367 | [C][C][/C][=Branch2][Ring2][Ring2][=C][Branch1][P][\C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#Branch2] |
CHEMBL3309308 | [O][=C][Branch2][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1... |
CHEMBL11293 | [C][C][C][C][C][C][N][C][=Branch1][C][=O][N][C] |
CHEMBL1163365 | [C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][C][C][C][Ring1][=Branch1][=C][C][Ring1][=N][=O] |
CHEMBL11294 | [C][=C][C][N][C][C][C@@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@@H1][Ring1][N][Ring1][#C] |
CHEMBL11295 | [N][#C][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CHEMBL11296 | [C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2]... |
CHEMBL11297 | [C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
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