chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL4238390 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][Ring1][=N] |
CHEMBL4238656 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][C][Ring1][P][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][C][O] |
CHEMBL4238658 | [O][=C][Branch2][Ring2][#Branch2][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][=N][N][=C][S][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][N][Ring1][P][Ring1][=C][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] |
CHEMBL4238660 | [C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N] |
CHEMBL4238662 | [C][N][C][C][N][Branch2][=Branch1][C][C][=N][C][Branch2][Ring2][=Branch2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][=N][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring2][=Branch1][C][C][Ring2][Ring2][N] |
CHEMBL4238669 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Ring1][=Branch1][C][C@H1][Ring1][=Branch1][N][C][=N][C][=N][C][=C][Branch1][#C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][F][N][=C][N][=C][Ring2][Ring1][Ring2][Ring1][S] |
CHEMBL4238675 | [C][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][O][=C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=Ring1][#C][C] |
CHEMBL4238679 | [O][=S][=Branch1][C][=O][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL4238681 | [O][=C][Branch2][Ring2][C][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring2][Ring1][C][O][C][C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring2] |
CHEMBL4238685 | [C][C][C][C][N][Branch2][Branch1][#Branch1][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][S][C][C][Ring2][Ring2][=Branch1] |
CHEMBL4238924 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=C][Branch1][O][/C][=N][/N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4238926 | [N][C][=Branch1][C][=O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][C][O][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][#Branch2] |
CHEMBL4238931 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][B][Branch1][C][O][O] |
CHEMBL4238937 | [C][O][C][=Branch1][C][=O][/C][=C][Branch1][#Branch1][\C][=Branch1][C][=O][O][C][N][C][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][Ring1][S] |
CHEMBL4238964 | [O][=C][Branch1][#Branch2][/C][=C][/C][=N][C][=C][NH1][Ring1][Branch1][/C][=C][/C][=N][C][=C][NH1][Ring1][Branch1] |
CHEMBL4239234 | [C][N][C][C][N][Branch2][Ring1][S][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][O] |
CHEMBL4239237 | [C][O][C][=C][C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][C][Ring1][P][=N][C][=C][Ring2][Ring1][#Branch1][C][O][C][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1][O][C] |
CHEMBL4239240 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][C@][Ring1][Branch1][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@H1][Branch1][Ring2][C][Ring1][#C][C@][Ring1][O][C][C][C@@][Ring1][#C][Branch1][Ring1][O][C][C@@][Branch1][C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1] |
CHEMBL4239244 | [C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2] |
CHEMBL4239246 | [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][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CHEMBL4239247 | [C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch1][C][N][C][C@@H1][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][S][Branch1][C][C][=Branch1][C][=O][=O][N][C][=Branch1][C][=O][C][=N][O][C@H1][O][C][C][C@@H1][Ring1][Branch2][Ring1][Branch1][=C][Ring2][Ring2][#Branch1] |
CHEMBL4239514 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][P] |
CHEMBL4239519 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][P][O][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S] |
CHEMBL4239520 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][P][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring2][Branch1] |
CHEMBL4239522 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4239538 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][C][Branch1][C][Cl][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL4239798 | [C][C][C][C][N][Branch2][Ring2][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][=Branch2][C][C][Ring2][Ring1][#C] |
CHEMBL4239799 | [O][=C][N][/C][=Branch2][Ring1][S][=N][\C][=N][N][=C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][S][Ring1][#C][S][/C][Ring2][Ring1][Branch1][=C][/C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] |
CHEMBL4239810 | [C][C][Branch1][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C][Ring1][=N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=Branch2] |
CHEMBL4240084 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][N][O][C@H1][C][C@H1][Branch1][Ring1][O][C][C][Ring1][=Branch1][=C][C][Branch1][C][F][=C][Ring1][=C][F][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C][C][C][C][=Branch1][C][=O][O] |
CHEMBL4240086 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][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][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O] |
CHEMBL4240087 | [C][=C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring2][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][=N] |
CHEMBL4240088 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][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][Ring2][Ring1][=Branch2] |
CHEMBL4240365 | [C][=C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][N][Branch1][=Branch2][/C][=C][/C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL4240368 | [C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][C][=N][C][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][O][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][Branch2][Ring2][Ring1][O] |
CHEMBL4240370 | [O][=C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Ring1][O][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][Branch2] |
CHEMBL4240371 | [C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch2][Ring2][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][Ring2][Ring1][C][=C][N][=C][Ring2][Ring1][O][O][C] |
CHEMBL4240372 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch1][N][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Ring2] |
CHEMBL4240379 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][C][N][Branch2][Ring1][#Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CHEMBL4240644 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][N] |
CHEMBL4240662 | [Cl][C][=C][C][=C][C][Branch2][Ring2][C][C][N+1][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O].[Br-1] |
CHEMBL4240663 | [C][N][C][=C][Branch2][Ring1][S][C][=N][N][Branch1][=N][C][C][C][C][N][Branch1][Ring1][C][#N][C][Ring1][Branch2][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][C][Ring1][#Branch1][C][=N][Ring2][Ring1][#Branch1] |
CHEMBL4240664 | [C][C][S][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][C][=Ring1][=N][O][C][C][N][C][C][C][C][Ring1][Branch1] |
CHEMBL4240970 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] |
CHEMBL4240972 | [N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][/C][=Branch1][N][=C][\C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] |
CHEMBL4240973 | [C][C][C][=C][C][=C][Branch2][Ring1][=C][/C][=C][/C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C][C][N][C][=C][Branch1][Ring1][C][O][N][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL4240977 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] |
CHEMBL4241199 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][N][C@@H1][C][N][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][Ring1][=C][N][=N][Ring2][Ring1][Ring1] |
CHEMBL4241204 | [C][N][C][C][N][Branch2][Ring2][Branch2][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#C] |
CHEMBL4241205 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][N][=C][N][=C][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][C][O][Ring1][Ring1][C][=C][Ring1][=Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring2] |
CHEMBL4241212 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][Branch2] |
CHEMBL4241221 | [C][C][C@H1][Branch1][C][C][C@H1][Branch1][=Branch2][N][C][=Branch1][C][=O][C][N][C][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][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][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][Branch2][Branch2][=O] |
CHEMBL4241503 | [O][=C][Branch1][C][O][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=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][Branch1] |
CHEMBL4241516 | [C][N][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][O] |
CHEMBL4241518 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][N] |
CHEMBL4241519 | [C][O][C][C][N][C][=C][Branch2][Ring2][#Branch2][C][=N][N][Branch2][Ring1][=Branch1][C][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][Ring1][N][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][#Branch1][Ring1][#Branch1][C][=N][Ring2][Ring1][N] |
CHEMBL4241522 | [O][=C][Branch2][=Branch1][Branch1][N][C@@H1][Branch2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] |
CHEMBL4241795 | [C][C][C][=Branch2][Ring2][C][=C][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][Ring1][S][C][C] |
CHEMBL4241796 | [O][=C][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4241797 | [F][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][N][C][C][C][C][N][C][C][Ring1][=Branch1][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] |
CHEMBL4241798 | [O][C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][N][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
CHEMBL4241801 | [C][C][Branch1][C][C][C][C@@][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL4241803 | [C][N][C][=C][Branch2][Ring1][P][C][=C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring1][P][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][O] |
CHEMBL4242062 | [O][=C][Branch2][Ring1][O][N][C][C][C][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CHEMBL4242065 | [O][=C][Branch1][#C][C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][N][O] |
CHEMBL4242066 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C@][Ring1][O][Branch1][C][C][C][Ring1][P][=O][O][/C][=Branch1][N][=C][\C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL4242070 | [C][O][C@H1][C][C@H1][Branch2][Branch1][#Branch1][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch2][Ring2][Ring2][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][C][O][C][C][C][C][=Branch1][C][=O][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][F][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][O][C][Ring2][Ring1][S] |
CHEMBL4242292 | [C][C@H1][Branch1][O][C][C][C][C][C][=Branch1][C][=O][N][O][N][C][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=Branch1][C][=O][C][Ring1][P][=O] |
CHEMBL4242293 | [C][C][C][C][N][Branch2][Ring2][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][Ring2][Ring1][=C] |
CHEMBL4242294 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring1][#C][C][=Ring2][Ring1][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
CHEMBL4242299 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=N][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4242594 | [C][C][O][C][=C][C][Branch1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Ring1][N][N][C][=N][C][=C][C][=C][Branch1][C][C][N][=C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][=N][Ring1][P].[Cl].[Cl] |
CHEMBL4242595 | [C][O][C@H1][C][C@H1][Branch2][Ring2][=N][O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][O][Ring1][N][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][N] |
CHEMBL4242598 | [C][=C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Branch1][C][N][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1] |
CHEMBL4242600 | [C][N+1][=C][C][=Branch1][#C][=C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=Branch1][C][=O][/C][=Branch1][=N][=C][\C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1].[I-1] |
CHEMBL4242607 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][=C][Ring1][N] |
CHEMBL4242873 | [O][=C][Branch1][C][O][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
CHEMBL4242874 | [C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][C][C][Ring2][Ring1][Branch1][C] |
CHEMBL4242883 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][/C][=N][/N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][Ring1][P][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][#C] |
CHEMBL4242884 | [O][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] |
CHEMBL4243179 | [O][=C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][N][C][C][C][=Branch1][N][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] |
CHEMBL4243186 | [C][C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring1][P][C][C][C][C] |
CHEMBL4243190 | [C][O][C][=C][C][Branch1][=N][/C][=C][/C][=Branch1][C][=O][/C][=C][Branch1][C][/C][O][=C][C][=C][Ring1][=C][O] |
CHEMBL4243203 | [C][=C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring2][=Branch2][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1][C][Ring2][Ring1][=N] |
CHEMBL4243204 | [C][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][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][#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][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][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][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C][=C][Ring1][#Branch2][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
CHEMBL4243428 | [O][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][C][N][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C] |
CHEMBL4243432 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#C] |
CHEMBL4243437 | [C][=C][C][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Ring2][Ring1][#Branch1][=O] |
CHEMBL4243440 | [C][O][C][=C][C][=C][Branch2][Branch1][=C][C][=C][C][Branch2][Ring2][Branch2][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring2][Ring1][C][=N][N][Ring2][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][#Branch2] |
CHEMBL4243443 | [C][C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL4243458 | [C][C][C][N][C][=C][Branch2][Ring2][S][C][=N][C][Branch2][Ring1][#C][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][Ring1][=N][C][NH1][C][=C][C][Ring2][Ring1][=N][=Ring1][Branch1][C][=N][Ring2][Ring2][C] |
CHEMBL4243462 | [C][O][C][=C][C][=C][Branch2][Ring2][P][N][C][=N][C][Branch2][Ring1][#C][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][C][Ring1][P][=N][C][=C][Ring2][Ring1][#Branch1][C][O][C][Ring1][Branch1][C][=C][Ring2][Ring1][P][O][C] |
CHEMBL4243463 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@@H1][C@][Ring1][Branch1][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@H1][Branch1][Ring2][C][Ring1][#C][C@][Ring1][O][C][C][C@@][Ring1][#C][Branch1][Ring1][O][C][C@@][Branch1][C][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring2][Ring1][#Branch1] |
CHEMBL4243741 | [C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][C][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][P] |
CHEMBL4243742 | [C][O][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2] |
CHEMBL4243744 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][Cl][C][=C][Ring1][Branch2][N][C@@H1][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CHEMBL4243747 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
CHEMBL4243748 | [C][=C][C][=Branch1][C][=O][O][C@H1][C][C@][Branch1][C][C][C][C][C][=C][Branch1][C][C][C@H1][Ring1][Branch2][C][C@@H1][Ring1][S][Ring1][N] |
CHEMBL4243999 | [C][C@@H1][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][Branch1][Branch1][N][C][C][N][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][#Branch2][C][C][C][Ring1][Ring1] |
CHEMBL4244009 | [C][C@@H1][Branch2][Ring2][C][N][C][=N][C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][C][C][C][Ring1][Ring2] |
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