chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4286027 | [C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][N][=C][Branch1][C][\C][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1] |
CHEMBL4286028 | [C][C][=C][C][=C][Branch2][Ring1][O][N+1][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2].[Br-1] |
CHEMBL4286029 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][S][C][=C][C][=Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1] |
CHEMBL4286030 | [C][C][=C][C][N][=C][Branch2][Branch1][Branch1][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][O][Ring1][O][C][=C][Ring1][P][F][C][Branch1][C][F][=C][Ring2][Ring1][=N][O][C][=Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch1][C] |
CHEMBL4286110 | [C][O][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][#C][O][C][=N][C][=C][C][O][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S] |
CHEMBL4286111 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][Ring2][N+1][C][C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Branch1][C][C][Ring1][=Branch2][C][C][Ring1][O][=N][Ring2][Ring1][Ring1] |
CHEMBL4286112 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C@][Ring2][Ring1][=N][Ring1][=Branch2][C] |
CHEMBL4286113 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4286114 | [C][O][C][=C][C][=C][Branch2][Ring1][S][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][O][C][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL4286192 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O] |
CHEMBL4286193 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][=C][Ring1][S][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4286194 | [O][=C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4286195 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][S] |
CHEMBL4286196 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=N] |
CHEMBL4286287 | [O][=C][NH1][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] |
CHEMBL4286288 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][/C][=C][/C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][=C][C][=C][Ring2][Ring1][Branch1][O][C][Branch1][C][C][=O] |
CHEMBL4286289 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][C][=N][NH1][C][=Branch1][C][=S][N][Ring1][=Branch1][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
CHEMBL4286290 | [C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2] |
CHEMBL4286291 | [C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][C][N][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][S][C][=Ring1][P][C][Ring2][Ring1][Branch1] |
CHEMBL4286292 | [C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][N][C][C][Ring1][=Branch1] |
CHEMBL4286293 | [C][C][=C][C][=C][O][C][Branch2][Branch1][S][C][=C][C][=C][Branch2][Branch1][Ring2][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][Ring1][S][C][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][N][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][=Branch2][=C][C][=Branch1][C][=O][C][Ring2][Ring2][S][=C][Ring2][Branch1][Ring2] |
CHEMBL4286380 | [C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][O][C@H1][O][C][=Branch1][C][=O][C@@H1][C@H1][Ring1][=Branch1][C@@][Branch1][C][C][Branch2][Ring1][P][C][C@H1][C][Branch1][C][C][=C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=C][C][C@@][Ring1][#C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=N][=O] |
CHEMBL4286381 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4286382 | [C][C][#C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][N][O][C][C@H1][C][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][O][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4286383 | [C][C@@H1][Branch2][Ring1][=C][O][C][=C][N][=C][C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][O][=C][Ring1][P][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][Cl] |
CHEMBL4286384 | [C][N][C][=C][C][Branch2][Ring2][N][C][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][C][Branch1][S][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][=N][Ring2][Ring1][Branch2][=N][Ring2][Ring1][=N] |
CHEMBL4286385 | [C][C][=C][C][Branch2][Ring2][Branch2][O][C][=C][C][=N][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] |
CHEMBL4286468 | [C][O][C][=C][C][=C][C][Branch2][Branch1][Ring1][C][N][C][C][C][Branch2][Ring2][=Branch1][N][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Branch1][Ring1][#Branch2][C][C][Ring2][Ring1][N][=C][Ring2][Ring2][Ring1] |
CHEMBL4286469 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2][=C][Ring2][Ring1][=Branch1] |
CHEMBL4286470 | [C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C@@H1][C][C][C@@][Branch1][C][C][C][C@@][Ring1][#Branch1][Branch2][Ring2][Ring1][C][=C][Ring1][=Branch1][C][=C][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][N][=N][Ring1][P][C][C][C@@H1][Ring2][Ring1][#C][Ring2][Ring2][Ring2] |
CHEMBL4286471 | [C][O][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C] |
CHEMBL4286472 | [C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=C][C][Branch1][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch1][=N][C][Branch1][=C][C][=C][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][=Branch1] |
CHEMBL4286473 | [C][C][Branch1][C][C][=C][C][C][C@][Branch1][C][C][C@@H1][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][C@@][Branch1][C][C][C][=Branch1][C][=O][C@][Ring1][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][P][O][C@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][=Branch2][O] |
CHEMBL4286474 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][N][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O][C][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C@@H1][Ring1][S][O][C@H1][C][C@H1][Branch2][O][=Branch1][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Branch1][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=Branch1][C][Branch2][=Branch1][=C][C][O][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Branch1][#Branch1][O][C@H1][C][C@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][O][=C][Ring1][Branch2][Ring1][P][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][Ring1][S][=O][O][C@@H1][Branch1][C][C][C@H1][Ring2][Ring2][Branch1][O][=C][Ring2][=Branch1][N][C@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring2][#Branch1][#Branch2] |
CHEMBL4286475 | [C][C][=C][C][=C][Branch1][P][/C][=C][/C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][NH1][Ring1][Branch2][O][Ring1][#C] |
CHEMBL4286563 | [C][O][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL4286564 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][S][Ring1][Branch2] |
CHEMBL4286565 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][=N][C][=N][Ring1][=C][=C][Ring2][Ring1][Branch1] |
CHEMBL4286566 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][S][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] |
CHEMBL4286642 | [C][S][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] |
CHEMBL4286643 | [C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][O] |
CHEMBL4286644 | [N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][N][C][C][Ring2][Ring1][=N] |
CHEMBL4286645 | [N][C][=Branch1][C][=O][N][C@H1][C][C][C][=C][C][=C][Branch1][=C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][#C][Ring2][Ring1][C] |
CHEMBL4286730 | [F][C][Branch1][C][F][C][C][C][Branch2][Branch1][Ring2][N][C][=N][C][Branch2][Ring1][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][O][C][Ring2][Ring2][C] |
CHEMBL4286731 | [C][O][C][=C][C][=C][O][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][=Branch1][C][=O][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N] |
CHEMBL4286732 | [C][N][C][=Branch1][C][=N][N][C@@][Branch2][Ring1][=Branch2][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=C][S][Ring1][=C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C@H1][Ring2][Ring1][#Branch2][C][Ring2][Ring1][#C][=O] |
CHEMBL4286733 | [O][=C][Branch2][=Branch1][Ring1][N][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][C][N][=C][N][=C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][N][C][=C][Ring2][Ring2][C][N][C][C][C][Ring1][Ring1] |
CHEMBL4286810 | [C][C][Branch1][C][C][=C][C][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] |
CHEMBL4286811 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][P] |
CHEMBL4286812 | [C][C][C][C][C][=C][C][Branch1][N][O][C][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][Ring2][Ring1][=N] |
CHEMBL4286885 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][NH1][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4286886 | [O][=C][Branch2][Ring1][C][/C][=C][\N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][N][Ring1][S][Ring1][=Branch1] |
CHEMBL4286887 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][C][N][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#C][=C][Ring2][Ring1][Ring2] |
CHEMBL4286888 | [C][C@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C@][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C] |
CHEMBL4286972 | [C][N][Branch2][Ring1][O][C][C][N][C][=N][C][Branch1][S][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4286973 | [C][C][=C][C][=C][Branch2][Ring2][P][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][C] |
CHEMBL4286974 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][=N][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N][S][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
CHEMBL4286975 | [C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch1][Branch2][O][C][=Branch1][C][=O][C][Cl][C@H1][C][C][C@][Branch1][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][O][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring2][C] |
CHEMBL4286976 | [C][C][N][Branch1][Ring1][C][C][C][C].[C][C][N][Branch1][Ring1][C][C][C][C].[N][=C][C][=C][C][=C][Branch2][=Branch1][#C][C][=C][C][=C][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][C][N][N][=C][C][=C][Ring1][Branch1][N][=C][Branch1][C][N][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][#C][Ring1][#Branch2][C][=C][Ring2][Ring1][O][C][=C][Ring2][Ring2][=N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][N][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring1][O][O][C][Ring2][Branch1][#C][=C][Ring2][=Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CHEMBL4286977 | [C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][=Ring2][Ring1][O][C][=C][Ring2][Ring2][Branch1][O][C] |
CHEMBL4287055 | [Cl].[O][=C][Branch2][Ring1][N][N][C][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4287056 | [O][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] |
CHEMBL4287057 | [O][=C][Branch1][C][O][C][S][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][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CHEMBL4287058 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][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@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][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][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CHEMBL4287060 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][=N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4287148 | [C][C][O][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][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4287149 | [C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C][O] |
CHEMBL4287150 | [Cl].[O][=C][Branch2][Ring1][=C][N][C][=C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][C][C][C][Ring1][=Branch1][C][=N][C][=C][Branch1][C][Br][NH1][Ring1][=Branch1] |
CHEMBL4287151 | [C][C][=C][C][=C][Branch2][Ring2][S][C][N][C][=C][Branch2][Ring1][=C][/C][=C][\C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][=Branch2][C][N][Ring1][N][C][Ring1][S][=O][C@@H1][Ring1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4287152 | [N][#C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][C][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][Ring2][Ring1][Ring1][=Ring1][#C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4287153 | [C][N][C][=N][C][S][C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1][=N][C][=Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][N][=C][N][Ring1][Branch1][C] |
CHEMBL4287226 | [C][C][Branch1][S][N][C][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Branch1][C][O][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O] |
CHEMBL4287227 | [F][C][Branch1][C][F][C][C][C@@H1][Branch2][Branch1][=Branch1][N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][O][C][Ring2][Ring2][C] |
CHEMBL4287228 | [C][C@@H1][Branch2][Ring1][#Branch1][O][C][=C][N][=C][C][Branch1][N][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][=C][Ring1][=N][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][Cl] |
CHEMBL4287229 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Ring2][/C][=C][/C][=Branch1][C][=O][/C][=C][/C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][#C] |
CHEMBL4287313 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4287314 | [N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@@H1][Ring1][S][F] |
CHEMBL4287315 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][#C][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4287316 | [N][C][=C][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][=Branch2][F][S][Ring1][P][=C][C][=C][Ring2][Ring1][#Branch1][F] |
CHEMBL4287317 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch1][=Branch2][N][N][=C][C][=C][Ring1][Branch1][O][=C][Ring1][N] |
CHEMBL4287392 | [C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
CHEMBL4287393 | [C][C][C][C][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][Branch1] |
CHEMBL4287394 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][N][=C][C][=C][Ring1][Branch1][O][C][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][O][=C][Ring2][Ring1][#Branch1] |
CHEMBL4287395 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C][C][Branch1][C][F][C][Ring1][Branch1] |
CHEMBL4287476 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4287477 | [C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][#N][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][#Branch1] |
CHEMBL4287478 | [C][C@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@H1][C][C][Branch1][C][F][Branch1][C][F][C][C][C@@H1][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4287479 | [C][O][C][=C][C][=C][Branch1][P][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][N][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4287480 | [C][O][C][=C][C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][C][N][O][C][=Ring1][#C][C][Branch1][C][Br][=N][Ring2][Ring1][Ring2] |
CHEMBL4287561 | [O][=C][Branch1][C][O][C][=C][C][=N][C][Branch2][Ring1][=C][N][N][=C][C][=C][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][=C][Ring1][N][=C][Ring2][Ring1][=Branch2] |
CHEMBL4287562 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][/C][Ring1][=Branch1][=C][\C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4287563 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][C][N][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] |
CHEMBL4287564 | [C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Ring1][#Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1].[Cl] |
CHEMBL4287565 | [C][C][N][Branch1][Ring1][C][C][C][C@H1][Branch1][C][Cl][C@H1][Branch1][C][O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2].[Cl] |
CHEMBL4287653 | [C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C@@H1][C][C][=C][C@@H1][Branch1][=N][C][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][C][C][C@][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C][C@][Ring2][Ring1][Ring1][Branch1][C][C][C@H1][Ring2][Ring1][#Branch1][C][Branch1][C][C][=O] |
CHEMBL4287654 | [C][C][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=N][N][C][=Branch1][#C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][S][=N][Ring2][Ring1][Branch2] |
CHEMBL4287655 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][C][=C][Ring1][#C] |
CHEMBL4287656 | [C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][/C][=C][/C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C].[I-1] |
CHEMBL4287742 | [C][N][Branch1][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][P][/C][=C][\C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][C] |
CHEMBL4287743 | [C][C][=N][C][=C][Branch1][C][F][C][=C][Branch2][Ring2][=Branch1][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][=N][Ring1][#C][=N][C][=C][Ring2][Ring1][=Branch1][F][C][=C][Ring2][Ring1][=C][C][Ring2][Ring1][P][C][C][C][C][Ring1][Branch1] |
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