chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4282253 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][N] |
CHEMBL4282254 | [C][=C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][C][C@H1][C@@][Branch1][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][C][C@][Ring1][#C][Ring1][O][C] |
CHEMBL4282255 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][=N][C][O][C][Branch2][Ring1][O][C][N][C][=N+1][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=N][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][P].[Cl-1] |
CHEMBL4282338 | [C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][O][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][S@][=Branch1][C][=N][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][=N][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4282339 | [O][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] |
CHEMBL4282340 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][S][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL4282341 | [C][N][C][=N][C][Branch2][Ring1][O][N][C@H1][C@H1][C][C][C@@H1][Ring1][Branch1][C][N][Branch1][N][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][C][Ring1][=C][=N][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4282342 | [C][N][C][C][C][Branch2][Ring1][P][O][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][S][C][C][Ring2][Ring1][#Branch1] |
CHEMBL4282420 | [C][C][C][N][S][=Branch1][C][=O][=Branch1][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] |
CHEMBL4282421 | [C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4282422 | [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][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1] |
CHEMBL4282423 | [N][C][=Branch1][C][=S][N][/N][=C][\C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4282424 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N+1][Branch1][C][O-1][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][Branch1][C][C][=N+1][Ring2][Ring1][#Branch2][O-1] |
CHEMBL4282511 | [O][=C][Branch1][=C][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O] |
CHEMBL4282512 | [O][=C][Branch2][Ring2][Ring2][/C][=C][/C][=C][C][=C][Branch1][C][O][C][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][=C][C][Ring2][Ring1][C][=Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] |
CHEMBL4282513 | [C][C][N][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][S] |
CHEMBL4282514 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=N][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][F][C][NH1][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][C][Ring1][O][C][=Branch1][C][=O][N][C][C][Ring1][#Branch2][C][N][Branch1][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=N][F] |
CHEMBL4282598 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Ring1][Branch1][C][=C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][Br] |
CHEMBL4282599 | [O][=C][Branch1][O][C][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] |
CHEMBL4282600 | [O][=C][N][/C][=Branch1][=N][=N][\C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][/C][Ring1][=N][=C][\C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4282601 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][S][N][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=N][Ring1][P][C][C][Ring2][Ring1][Ring2] |
CHEMBL4282602 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4282669 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][P] |
CHEMBL4282670 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=C][C][=C][C][Branch1][Branch2][C][N][=C][O][N][=Ring1][Branch1][=C][N][Ring2][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][=N] |
CHEMBL4282671 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][Branch2][Ring1][C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][O][C] |
CHEMBL4282747 | [O][=C][Branch2][Ring1][N][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=C] |
CHEMBL4282748 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C] |
CHEMBL4282749 | [C][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][C][C@H1][Branch2][Branch1][=N][C@][Branch1][C][C][Branch1][C][O][C@H1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@H1][C@@H1][C][C@H1][O][C@][Ring1][Ring1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=Branch1][C][=O][C@][Ring1][O][Branch1][C][C][C@H1][Ring1][P][C][C][C@@][Ring2][Ring1][Branch1][Ring2][Ring1][N][C][O][C][Ring2][Ring2][#Branch1][=O] |
CHEMBL4282750 | [C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][N][C][=C][C][C][=C][O][C][=Ring1][Branch1][Ring1][=Branch2][C][Ring2][Ring1][Ring1][=O] |
CHEMBL4282751 | [Cl][C][=C][C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][=C][C][=C][Ring1][O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][Ring1][O] |
CHEMBL4282752 | [C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][/C][=C][/C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Branch1][C][O][C][C@H1][Branch1][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][S][/C][=C][-/Ring2][Ring2][Branch1][C] |
CHEMBL4282831 | [N][#C][C][=C][N][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][=C][N][C][C@@][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Branch1][C][N][C@H1][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][O] |
CHEMBL4282832 | [F][C][=C][C][=C][Branch2][Ring1][P][C][=C][S][C][Branch2][Ring1][=Branch1][N][/N][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4282833 | [C][=C][S][C][Branch2][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring2] |
CHEMBL4282834 | [C][O][C][=C][C][Branch2][Ring2][#Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][P][O][C] |
CHEMBL4282835 | [C][O][C][=C][C][=C][C][Branch1][=N][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring2][N][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][=Branch1][C][=O][N][O][=N][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P] |
CHEMBL4282836 | [C][C@H1][C@H1][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][Branch2][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][=Branch1][C][C][C@][Ring2][Ring1][#Branch2][Ring2][Ring1][S][C][C@H1][Ring2][Ring2][O][Ring2][Ring2][=Branch1] |
CHEMBL4282913 | [C][C][=C][O][C][=C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][Ring1][=Branch1][=C][NH1][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Ring1][#C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1][C][C][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C] |
CHEMBL4282914 | [C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring2][S][C@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@H1][C@@H1][C][C@H1][O][C@][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C@][Ring1][Branch2][Branch1][C][C][C@H1][Ring1][=C][C][C][C@@][Ring2][Ring1][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][P] |
CHEMBL4282915 | [C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][C][N][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] |
CHEMBL4282916 | [O][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Ring1][P][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=C] |
CHEMBL4282917 | [C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch1][C][O][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][O][C@@H1][Ring1][Branch2][C][C@@H1][C][C@@][Ring1][Ring1][Ring1][=N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][=Branch1][=C][Ring2][Ring2][Ring2][C][C][Ring2][Ring2][Ring2][Branch1][C][C][C] |
CHEMBL4282918 | [C][N][Branch1][C][C][C][C][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch1][C][N][N][=C][Branch2][Ring1][Ring1][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][Ring2][Ring1][Ring2][=O][C][=C][Ring2][Ring1][N] |
CHEMBL4282919 | [C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4282920 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=C][N][=C][Ring2][Ring1][Ring2][O][C][=C][Branch1][C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring1][#C][C] |
CHEMBL4282921 | [C][O][C@H1][C][C@H1][Branch2][Branch1][C][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@][Branch1][C][C][C@@H1][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C@][Ring1][N][Branch1][C][O][C@@H1][Ring1][P][C][C][C@@H1][Ring2][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][C][O] |
CHEMBL4282922 | [C][O][C][=C][C][=C][Branch2][Ring2][S][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][P][=O][C][=C][Ring2][Ring1][O][F][C][=C][N][=C][Ring2][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch1][O][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
CHEMBL4283013 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4283014 | [C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=C][C][Branch2][Ring1][C][C][=C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][Ring1][Branch2][C][=C][Branch1][S][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C@][Ring2][Ring1][#Branch2][Branch1][C][C][C][C][C@@][Ring2][Ring1][S][Branch1][C][C][C@H1][Ring2][Ring2][=Branch1][C][Ring2][Ring2][O] |
CHEMBL4283015 | [C][C][#C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][O][O][C][C@H1][C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][O][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4283016 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][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] |
CHEMBL4283017 | [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][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][#C] |
CHEMBL4283108 | [C][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][Ring2][Ring1][=Branch1] |
CHEMBL4283109 | [N][C@@H1][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=Branch1][C][=O][O] |
CHEMBL4283110 | [C][=C][C][N][C][=Branch1][C][=O][C][=Branch2][Ring1][=Branch2][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
CHEMBL4283111 | [C][N][C][=C][Branch2][Ring2][#Branch2][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][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O][C][=N][Ring2][Ring1][O] |
CHEMBL4283112 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=N][Ring1][N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2][O][C] |
CHEMBL4283191 | [C][=C][Branch1][C][C][C@@H1][C][C][=C][Branch2][Ring2][=N][C][N][C][=C][Branch2][Ring1][P][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][C][=O][=C][Ring1][P][N][=N][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][#C] |
CHEMBL4283192 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] |
CHEMBL4283193 | [C][C][=Branch1][C][=O][O][C][C@@][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C@@][Branch1][C][C][C@H1][Ring1][N][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C@H1][C@][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][#C][C][C][C@@H1][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][C][O][C][C][C@][Ring2][Ring1][N][Ring2][Ring2][C][C] |
CHEMBL4283194 | [C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][O][C][C][C][C][Branch2][Ring2][C][O][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch2] |
CHEMBL4283195 | [C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][=N][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=C][N][Branch1][C][C][C][C][C][N][C][Branch1][C][C][=O][C@H1][Ring1][S][O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Branch1][=Branch1][Branch1][C][C][O] |
CHEMBL4283196 | [C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][C][=C][Ring2][Ring1][Branch1][S][Ring2][Ring1][Branch2] |
CHEMBL4283197 | [C][C][Branch1][C][C][=C][C][C@@H1][Branch2][Ring1][#C][O][C][=Branch1][C][=O][C][C][C][C][C@@H1][C][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][=N][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O] |
CHEMBL4283287 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][N][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4283288 | [C][O][C][=C][C][=C][Branch2][Ring2][O][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=C] |
CHEMBL4283289 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][N][/C][=C][\C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][S][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][=N] |
CHEMBL4283290 | [O][=S][=Branch1][C][=O][C][C][C][C][N][Ring1][#Branch1][C][C][Branch1][C][O][C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][#C] |
CHEMBL4277805 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][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][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C][O][C] |
CHEMBL4277806 | [C][C][O][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][Ring2][N][C][=N][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C][=N][Ring1][S] |
CHEMBL4277807 | [C][O][C][=C][C][Branch2][Ring2][O][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][P][O][C] |
CHEMBL4277808 | [C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][N][C][C][C][Cl][C][=C][Ring1][=C] |
CHEMBL4277809 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][O][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][O][C] |
CHEMBL4277892 | [C][N][Branch1][C][C][C][=Branch1][C][=S][N][/N][=C][\C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CHEMBL4277893 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Branch2][Ring1][Branch2][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][Ring1][=C][N][Ring2][Ring1][N][C][=Ring2][Ring1][S] |
CHEMBL4277894 | [C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][NH1][C][Ring1][=N][=Ring1][Branch1][O][Ring2][Ring1][C] |
CHEMBL4277895 | [N][C][=Branch1][C][=O][C][=C][C][=N+1][Branch2][Ring1][Branch2][C][/C][=C][/C][N+1][=C][C][Branch1][C][Cl][=C][Branch1][Ring2][/C][=N][/O][C][Branch1][C][Cl][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1].[Br-1].[Br-1] |
CHEMBL4277896 | [C][C][O][C][=C][C][=C][Branch2][Ring2][=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][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][Branch2][N][C][=C][Ring2][Ring1][#C] |
CHEMBL4277994 | [C][C][C][S][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][Branch1][=C][O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] |
CHEMBL4277995 | [C][C][C][N][C][C][C][C][=C][Branch2][Ring1][Branch2][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][NH1][Ring1][=N][S][C][=Ring2][Ring1][C][Ring2][Ring1][=Branch1] |
CHEMBL4277996 | [O][=C][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Cl] |
CHEMBL4277997 | [C][C][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][N][=C][Ring1][O][C][=C][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O] |
CHEMBL4277998 | [N][#C][C][=C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][P][Ring1][=Branch1] |
CHEMBL4278087 | [Cl].[N][C][=N][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][=C][Ring1][P][N][Ring2][Ring1][Ring2][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4278088 | [Cl][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][P] |
CHEMBL4278089 | [O][=N+1][Branch1][C][O-1][C][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][C][Branch1][C][Cl][=C][N][Ring2][Ring1][O][Ring1][=C] |
CHEMBL4278090 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch2][Ring1][Branch1][N][C][=N][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][N][=C][Ring1][=Branch2][Ring1][N][C@@H1][Ring2][Ring1][Ring1][O][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4278091 | [O][=C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=C][N][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1] |
CHEMBL4278176 | [C][C][Branch1][C][C][N][C][C][C][Branch2][Ring2][Branch2][N][C@H1][C][C][C@H1][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][Ring1][S][C][C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4278177 | [C][C][=C][C][=C][Branch1][=C][O][C][C][O][C][C][N][C][Branch1][C][C][C][O][C][Branch1][C][C][=C][Ring2][Ring1][C] |
CHEMBL4278178 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][#Branch1][C][N][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=N][Ring1][=N][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][#Branch2][Ring1][Ring2] |
CHEMBL4278179 | [C][=C][C@@H1][Branch1][C][O][C][#C][C][#C][C@@H1][Branch1][#Branch2][/C][=C][\C][C][C][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
CHEMBL4278267 | [C][C][C][S][C][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][N][=C][C][=Branch1][C][=O][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=N][Ring2][Ring1][O] |
CHEMBL4278268 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][=Branch2][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring1][Branch1][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][=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][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][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][Branch2][#Branch2][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][=Branch2][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][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][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][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Branch1][#Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][O][C][Ring1][#Branch2][=O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O] |
CHEMBL4278269 | [C][C][=C][C][Branch2][Ring1][#C][C][=C][Se][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][#Branch2][O] |
CHEMBL4278270 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
CHEMBL4278360 | [O][=C][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][C][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][N] |
CHEMBL4278361 | [C][C][Branch1][C][C][N][Branch2][Ring1][N][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C@H1][O][C@@H1][Branch2][Ring1][=C][N][C][=N][C][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O] |
CHEMBL4278362 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C@@H1][Ring1][Branch2][C] |
CHEMBL4278363 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch2][Ring1][Branch1][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] |
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