chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4279628 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/C][=C][\C][C][C][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1][O][C] |
CHEMBL4279629 | [C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][N][C][N][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][NH1][C][=Ring1][N][Ring2][Ring1][C][C][=C][Ring2][Ring1][O] |
CHEMBL4279630 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][=N] |
CHEMBL4279722 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=N][Ring1][=N][C][=C][Ring2][Ring1][Branch2] |
CHEMBL4279723 | [C][O][C][=C][C][Branch2][Ring1][#C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N][O][C] |
CHEMBL4279724 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring2][Ring1][#C][Ring1][O][C] |
CHEMBL4279725 | [O][=C][Branch2][Ring1][=N][N][C][=C][C][=C][Branch1][#C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Branch1][C][Cl][=C][Ring1][P][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2] |
CHEMBL4279726 | [C][C][C@H1][Branch1][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] |
CHEMBL4279820 | [O][=C][Branch1][C][O][C][C][C][C][C][C][Branch1][C][O][Branch1][Ring2][C][Ring1][#Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][Branch1][Ring2][C][Ring1][N][C][Ring1][#C] |
CHEMBL4279821 | [C][C][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] |
CHEMBL4279822 | [O][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][=N][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][O] |
CHEMBL4279823 | [C][=C][C][=Branch1][C][=O][O][C@@H1][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][O][O][C][=Branch1][C][=O][/C][=C][/C][C][C][C][=Branch1][C][=C][C@@H1][Ring1][S][C][C@H1][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2] |
CHEMBL4279824 | [C][C][Branch1][C][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][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4279825 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] |
CHEMBL4279912 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][O] |
CHEMBL4279913 | [C][C][C][Branch1][C][C][N][N][=C][N][Branch2][=Branch1][#C][C][=C][C][=C][Branch2][=Branch1][Ring1][N][C][C][N][Branch2][Branch1][#Branch1][C][=C][C][=C][Branch2][Ring2][O][O][C][C@@H1][C][O][C@@][Branch1][P][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][P][C][C][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][=N][C][Ring2][Branch1][C][=O] |
CHEMBL4279914 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@H1][Branch2][Ring2][=N][C][C][=C][C][=C][Branch2][Ring1][S][O][C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][O][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4279915 | [C][C][C][C][O][C][=Branch1][C][=O][C@H1][C][O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CHEMBL4279916 | [C][C][N][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] |
CHEMBL4279917 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][O][/C][=C][/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][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][N][O] |
CHEMBL4279988 | [O][=C][Branch2][Ring1][=C][N][C][=C][N][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring1][P][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CHEMBL4279989 | [C][C][C][N][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][/C][=Branch1][=N][=N][/O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][C][O][C@@H1][Branch1][Ring1][C][C][O][C][=Branch1][C][=O][C@@H1][Ring2][Ring2][S][C] |
CHEMBL4279990 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Branch2] |
CHEMBL4279991 | [C][O][C][=C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C@@H1][C][C][N][C][Ring1][Branch1][C][=C][C][=C][NH1][C][Ring1][Branch1][=N][C][=C][Ring1][=Branch2][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4279992 | [O][=C][C][=C][Branch2][#Branch2][#Branch1][C][=C][C][=C][Branch2][=Branch2][O][O][C][C][O][C][C][N][C][=C][Branch2][Branch2][#Branch2][C][N][Branch2][Branch1][Ring1][C][C][=C][N][Branch2][Ring2][#Branch1][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][=N][C][C][=C][N][Branch2][Ring2][#Branch1][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][=N][N][=N][Ring2][=Branch1][Ring1][C][=C][Ring2][=Branch1][#C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][#Branch1][#Branch2][Ring1][#Branch1] |
CHEMBL4279993 | [C][C][C][=C][C][=C][Branch1][C][O][C][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][Branch1][Ring1][O][C][C][C][C][C][=C][N][Branch2][Ring2][Ring1][C][C][O][C][C][O][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][Ring1][P][N][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][#Branch1][=C][Ring2][Branch1][C] |
CHEMBL4279994 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][=N][C][=Ring1][#Branch2][Ring2][Ring1][Ring1] |
CHEMBL4280073 | [C][O][C][=C][C][Branch2][Ring2][C][N][/C][=C][\C][=Branch1][C][=O][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][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL4280074 | [N][C][=N][C][O][C][=C][C][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O] |
CHEMBL4280075 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][=C][Branch2][Ring1][=Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][N][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4280076 | [C][C][=C][C][=C][Branch2][Ring2][P][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][C][Ring1][#C][=C][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch2][O][Ring2][Ring1][#C] |
CHEMBL4280154 | [F][C][Branch1][C][F][C][C][C][Branch2][Ring2][S][N][C][=N][C][Branch1][#C][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][=N][Ring2][Ring1][Branch2][C][Ring2][Ring1][#C] |
CHEMBL4280155 | [C][O][C][=C][C][Branch2][#Branch1][N][C][=N][C][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Branch1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][=C][Ring2][Branch1][#C][O] |
CHEMBL4280156 | [C][O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][N][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][Ring2][Ring1][=Branch1] |
CHEMBL4280157 | [C][S][C][=N][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch2] |
CHEMBL4280158 | [C][C][C][S][C][=Branch1][C][=S][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][P][O] |
CHEMBL4280243 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL4280244 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][N][O] |
CHEMBL4280245 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][=Branch2] |
CHEMBL4280246 | [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][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=N][O][C] |
CHEMBL4280337 | [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][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] |
CHEMBL4280338 | [O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][Ring1][=N][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][Branch2] |
CHEMBL4280339 | [C][=C][C][C@@][Branch1][C][C][C@@H1][Branch2][=Branch1][C][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][C][C][C@][Ring2][Ring1][N][Ring2][Ring1][P][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][=N][=O] |
CHEMBL4280340 | [O][=C][/C][=Branch2][Ring1][=N][=C][/C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][C][C@@H1][C@H1][C][C][C][N][C][C][C][C@H1][Branch1][Branch2][C][N][Ring2][Ring2][C][Ring1][N][C@@H1][Ring1][N][Ring1][Branch2] |
CHEMBL4280341 | [N][#C][C][=C][N][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=C][Ring1][=C][N][C][C][C][C][N][C][C][Ring1][=Branch1] |
CHEMBL4280342 | [C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=C][Ring1][=C].[Cl] |
CHEMBL4280415 | [O][=C][Branch2][Ring1][S][C][=C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][N][=N][Ring2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CHEMBL4280416 | [C][C][C][C][C][C][=C][N][Branch1][#C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][N][=N][Ring1][#C] |
CHEMBL4280417 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][#Branch2][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][Ring2][Ring1][O] |
CHEMBL4280418 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][C][N][Branch1][C][C][C][=N][C][=N][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring2][Ring1][C] |
CHEMBL4280419 | [C][O][C@@H1][C][C@H1][Branch2][=Branch2][C][C][C@@H1][Branch1][C][C][C@@H1][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][/C][=C][/C][=C][/C][=C][Branch1][C][\C][C@@H1][Branch2][Ring1][C][O][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][C@@H1][C][C][C@@H1][Branch1][C][C][C@@][Branch1][C][O][Branch1][Ring2][O][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring2][Branch1][=C][C][C][C@H1][Ring2][=Branch1][#Branch1][O] |
CHEMBL4280505 | [C][C][C][C][C][N][C][=Branch1][C][=O][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][=N][Ring2][Ring1][=Branch2] |
CHEMBL4280506 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][O] |
CHEMBL4280507 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O] |
CHEMBL4280508 | [C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] |
CHEMBL4280591 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][O][Ring2][Ring1][Ring1] |
CHEMBL4280592 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][/N][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C] |
CHEMBL4280593 | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][N][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C@@][Branch1][Ring1][C][O][C@@H1][Branch1][=Branch2][C][C][Ring1][#C][Branch1][C][C][C][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][=N][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][Branch1][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Ring2][Ring1][C][O][C@H1][Ring2][Ring1][=C][O][C@@][Branch1][C][C][Branch1][Ring1][C][=O][C@@H1][Ring2][Ring2][#Branch2][C][C][C@@][Ring2][Ring2][=C][Branch1][C][C][C@][Ring2][Branch1][Ring1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Ring2][Branch1][#C][O] |
CHEMBL4280594 | [N][=C][Branch1][Ring1][C][Cl][N][C][C][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] |
CHEMBL4280595 | [C][O][C][=C][C][=C][Branch2][#Branch1][Ring2][C][=N][C][Branch2][Branch1][=N][C][=Branch1][C][=O][N][C@@H1][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C@H1][C][=Branch1][C][=O][O][C][C@H1][Ring2][Ring1][#Branch2][Ring1][=Branch1][O][C][O][Ring2][Ring1][#Branch2][=C][C][=C][Ring2][Ring2][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Branch1][Ring1][O][C] |
CHEMBL4280596 | [O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][Branch2][=Branch1][Branch1][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][N][Branch2][Ring2][#Branch2][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][N][=N][Ring2][Ring1][S][=C][C][=C][Ring2][Branch1][N][Ring2][Branch1][C] |
CHEMBL4280597 | [C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][Se][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][Ring1][O] |
CHEMBL4280675 | [C][C][Branch1][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][O][C][=Branch1][C][=O][C@H1][Ring1][Branch1][C][C][C][C][C][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][Branch1][C][C][C] |
CHEMBL4280676 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4280677 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][NH1][Ring1][O][C][C][Ring2][Ring1][Ring1] |
CHEMBL4280678 | [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][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL4280758 | [C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][Branch1][Ring1][C][=O][=C][Ring1][#Branch2][O] |
CHEMBL4280759 | [C][C][C@H1][Branch1][C][C][/C][=C][Branch1][C][C][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C@H1][Branch1][Ring1][O][C][C@][Branch1][C][C][O][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][=O][C@H1][Ring1][N][C][Ring2][Ring1][Ring1][=C][O][Ring2][Ring1][#Branch1] |
CHEMBL4280760 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][C][Branch1][C][C][=N][C][C][=C][N][Branch1][C][C][C][Ring1][O][=Ring1][=Branch1][C][=C][Ring2][Ring1][C].[Cl] |
CHEMBL4280761 | [C][C][C][C][C@H1][Branch1][C][C][N][C][=N][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=C][=C][N][Branch1][N][C@H1][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][=C] |
CHEMBL4280762 | [O][=C][N][C][S][C][Branch1][C][Cl][=C][C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N] |
CHEMBL4280763 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][=Branch1][C][N][C][=C][C][=C][Ring1][Branch1][/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][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring2][Ring1] |
CHEMBL4280764 | [C][=C][C][=Branch1][C][=O][O][C@H1][C@H1][Ring1][=Branch1][C][C][/C][Branch2][Ring1][=N][C][N][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][=N][Ring1][S][=C][\C][C][C@@][Branch1][C][C][O][C@@H1][Ring2][Ring1][=N][Ring1][Ring2] |
CHEMBL4280837 | [O][C][C@H1][O][C][C@H1][Branch2][Ring1][#Branch2][B][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#C][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=Branch1][O] |
CHEMBL4280838 | [C][O][C][=C][Branch1][C][C][C][=C][Branch2][Ring2][O][C][Branch1][C][O][=C][Ring1][Branch2][C][/C][=C][Branch1][C][\C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][C][C][N][C][=Branch1][C][=N][N][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Ring2][Ring1][S] |
CHEMBL4280839 | [C][C@@H1][C][C][C][/C][=C][/C@@H1][O][C@@H1][Branch2][Ring2][O][C][/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][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][/C][=C][/C][=C][\C][=Branch1][C][=O][O][Ring2][Ring2][Ring1][C][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][P][O] |
CHEMBL4280840 | [O][=C][Branch2][Ring2][=Branch2][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4280841 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][C][Ring1][#Branch1][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring1][P] |
CHEMBL4280842 | [C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch2][#Branch1][Ring1][O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][C][=C][C][=Branch1][C][=O][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][S][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][N][C][C@H1][Ring2][Ring2][C][C][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][S].[Cl] |
CHEMBL4280843 | [C][N][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][O][Ring1][=Branch2][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][Ring2][Ring1][=N][C][C][C][O][C][Ring1][Branch1] |
CHEMBL4280927 | [O][=C][C][=C][Branch2][Ring1][#C][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring1][S][NH1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][O] |
CHEMBL4280928 | [N][C][O][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][C][=C][Ring1][N][C][=Ring1][#C][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] |
CHEMBL4280929 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][=C][C@H1][C][C@H1][Branch1][N][C][N][C][C][C][C][C@H1][Ring1][#Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][Ring1][P] |
CHEMBL4280930 | [O][=C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O] |
CHEMBL4281014 | [N][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][=C][S][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C] |
CHEMBL4281015 | [N][=C][Branch1][Ring1][C][Cl][N][C][C][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][P][Ring1][Branch2] |
CHEMBL4281016 | [C][C@@H1][Branch2][Branch1][#Branch1][N][C][=N][C][Branch2][Ring1][Branch1][N][C][=C][C][=N][C][Branch1][#Branch2][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][Ring1][O][=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][N][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL4281017 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][=C][Se][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C] |
CHEMBL4281094 | [C][C][C][=C][C][=C][C][Branch2][Ring2][Branch2][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring2][Ring1][C][=C][Ring2][Ring1][N] |
CHEMBL4281095 | [C][C][C][C][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][C][N][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][=C][C][=C][O][Ring1][Branch1] |
CHEMBL4281096 | [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Ring1][Ring1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][Ring1][Branch2][Branch1][C][F][F][C][=Branch1][C][=O][N][=Ring1][P][C][Branch1][C][N][=O] |
CHEMBL4281097 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][O][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N][N+1][=Branch1][C][=O][O-1] |
CHEMBL4281098 | [C][C][O][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Ring2][Ring2][Ring2] |
CHEMBL4281168 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4281169 | [C][C][N][C][=C][C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring2][Ring1][=C] |
CHEMBL4281170 | [C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][=N][C][=C][Ring1][P][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][N][=C][N][Ring1][P][C] |
CHEMBL4281171 | [C][C][N][C][=C][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][P][O][C][=C][C][=N][Ring2][Ring1][=Branch2] |
CHEMBL4281172 | [O][=C][Branch1][=C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=N][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CHEMBL4281256 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=N][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C] |
CHEMBL4281257 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][N][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][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=C] |
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