chembl_id stringlengths 7 13 | selfies stringlengths 3 6.7k |
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CHEMBL1187512 | [C][C][C][=C][C@@H1][C][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Branch1][=C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][Ring1][C][... |
CHEMBL1094689 | [C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Branch1][Ring1][C][O][C@@H1][Branch1][=Branch2][C][C][Ring1][N][Branch1][C][C][C][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][O][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O... |
CHEMBL4116154 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CHEMBL1207685 | [C][C][Branch1][C][C][S][C@@H1][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C@H1][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O].[C][C][O][C][=Branch1][C][=O][C][=C][N][N][N][Ring1][Branch1][C][C@@][Branch1][C][C][C@H1][Branch1][=... |
CHEMBL1172581 | [C][O][C@H1][C@@H1][Branch2][Branch1][=Branch1][O][C@H1][C][C][C@][Branch1][Ring1][C][=O][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@][Ring2][Ring1][#Branch1][Branch1][C][O][C][Ring2][Ring1][N][O][C@H1][... |
CHEMBL1093000 | [C][C][=C][N][Branch3][Ring2][Ring1][Ring1][C@@H1][O][C@][Branch3][Ring1][#C][Branch2][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch3][Ring1][=N][Ring1][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch3][Ring1][#Branch2][=Branch1][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@... |
CHEMBL1097916 | [C][O][C][C@H1][Branch1][C][O][C@@H1][O][C@@H1][Branch2][=Branch1][=C][O][C@H1][C@H1][Branch1][Branch2][C@@H1][Branch1][C][O][C][O][C][O][C@@H1][Branch2][Branch1][Branch2][O][C@@H1][C][C][=C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][C][C@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1]... |
CHEMBL1097917 | [C][=C][Branch2][#Branch1][=N][C][C][C@@H1][Branch1][C][C][C@H1][C@H1][Branch2][Ring2][N][O][C@@H1][O][C@@H1][Branch1][Branch2][C@@H1][Branch1][C][O][C][O][C][C@H1][Branch2][Ring1][=Branch1][O][C@@H1][O][C@@H1][Branch1][Branch2][C@@H1][Branch1][C][O][C][O][C][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C@H1][Ring2][Ring1][... |
CHEMBL163871 | [C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch2][Branch1][#Branch1][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C]... |
CHEMBL1222706 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][P][C][=C][N][=C][C][=C][C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][N][Ring2][Ring1][Ring1][Ring1][S][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL1208637 | [C][N][Branch3][Ring2][Ring1][Ring2][/N][=C][/C][=C][C][=C][Branch3][Ring2][C][Ring2][O][P][Branch2][Branch2][C][O][C][=C][C][=C][Branch2][#Branch1][Branch1][/C][=N][/N][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O][O][C][P][=Branch1][C][... |
CHEMBL1075679 | [O][=C][Branch2][Ring2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C@@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C... |
CHEMBL1162197 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][N][Branch2][#Branch1][Branch2][C@@H1][O][C@H1][Branch2][Branch1][=N][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C][... |
CHEMBL3347315 | [O-1][N+1][O][N][=C][C][=C][C][Branch2][Ring1][=C][C][O][C][=C][C][=C][Branch1][P][/C][=N][/N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][=C][C][Ring2][Ring1][#Branch2][=Ring2][Ring1][=N] |
CHEMBL4116155 | [C][C][C][C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][C][N][Branch1][=N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][Ring1][=C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2] |
CHEMBL1187422 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Bra... |
CHEMBL1186290 | [C][C][=C][N][Branch2][Ring1][=Branch2][C@H1][C][O][C@@H1][Branch1][S][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][Branch1][C][C][C][O][Ring1][=C][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Branch1][=O] |
CHEMBL1165801 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][O][C][=C][C][=C][C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=C][C][Ring2][Ring1][C][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O] |
CHEMBL162280 | [C][O][C][=C][C][=C][O][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][Ring1][=Branch2][=C][Ring1][=N] |
CHEMBL1214400 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=C][C][=N][C][=N][C][Branch2][Ring1][Ring2][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][N][=C][Ring2][Ring1][Branch1][Ring1][P][N][=C][Ring2][Ring1][N] |
CHEMBL1187911 | [C][N][C][C][C][C][=C][Branch1][O][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][Ring1][N] |
CHEMBL1170659 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring1][=C] |
CHEMBL1172041 | [C][=C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][C][C][N][Branch2][Ring1][P][C][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C@][Ring1][N][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][R... |
CHEMBL1172056 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][/C][=C][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][C][O][Ring1][Branch1] |
CHEMBL1213185 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=S][N][C][C][N][Branch2][Ring2][C][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=S][N][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2] |
CHEMBL1172222 | [C][C][C][C][C][Branch2][Ring2][Ring1][S][C][=N][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CHEMBL1076755 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][/N][=C][\C][=Branch1][C][=O][N][N][=C][Ring1][=Branch1][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][=Branch1] |
CHEMBL1075878 | [C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][C][C][C][=... |
CHEMBL1076047 | [C][O][C][=C][C][=C][N][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=C][Branch2][Ring2][P][N][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=N][C][Branch1][#Branch2][N][C][C][C][N][Branch1][C][C][C][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1][C][=C][Ring... |
CHEMBL606722 | [C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][O][C@H1][Branch2][=Branch2][#Branch2][O][C][=C][C][=C][Branch2][Branch2][=N][C][C@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C... |
CHEMBL3347306 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring1][=N][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][=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][Branc... |
CHEMBL1162542 | [C][C][=C][N][Branch3][Ring1][P][Ring2][C@H1][C][C@H1][Branch3][Ring1][Branch2][=Branch1][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@@H1][Ring1][=C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Bran... |
CHEMBL180233 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][#C][C][=C][C][=C][Branch2][Ring2][O][O][C][C][C][C][N][C][C][N][Branch2][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1][C][=C][R... |
CHEMBL1164326 | [C][C][C][C@@H1][Branch2][N][#Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branc... |
CHEMBL4116133 | [N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CHEMBL4116134 | [C][O][C][=C][C][=C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][N+1][=Branch2][Ring1][Branch1][=C][C][Ring1][=C][=C][Ring2][Ring1][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1][O][C][O][Ring1][#... |
CHEMBL4116135 | [C][N+1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][=N][O][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][C][=Ring1][P][Ring2][Ring2][C] |
CHEMBL1160541 | [C][C][=C][C][Branch1][=N][C][N][C][=Branch1][C][=N][/N][=C][Branch1][C][/N][S][=C][Branch1][C][C][C][=C][Ring1][#C][C][N][C][=Branch1][C][=N][C][C][=Branch1][C][=N][S] |
CHEMBL1161048 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][N][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][C][C][Ring1][S][N][Ring2][Ring1][=Branch1][C].[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][O] |
CHEMBL1170828 | [O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][O][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][#Branch2] |
CHEMBL1188238 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][N][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][#C][=O] |
CHEMBL1183203 | [C][C@H1][C][N][Branch2][Ring2][Ring2][C][=N][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][Branch2][N] |
CHEMBL1200510 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O].[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][B... |
CHEMBL1075666 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][P][=C][Ring2][Ring1][#Bran... |
CHEMBL1221884 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][Branch1][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C]... |
CHEMBL1189068 | [N][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][=Branch1][Branch2][N][C][=Branch1][C][=O][C][=N][C][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][Cl][C][=C][C][=C][Branch1][C][O][C... |
CHEMBL1165737 | [O][=C][Branch2][Ring2][=Branch1][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][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CHEMBL1182846 | [C][N+1][Branch1][Ring2][C][C][Cl][Branch1][Ring2][C][C][Cl][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N] |
CHEMBL1186168 | [C][C][Branch1][C][C][N][C][=Branch1][C][=N][C][=C][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][C] |
CHEMBL1214058 | [C][C][=N][C][=C][Branch2][Ring2][=N][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][=Branch1][C][=C][N][=C][Ring2][Ring1][S][NH1][C][Ring2][Ring2][Ri... |
CHEMBL3347297 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring1][=N][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][=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][Branc... |
CHEMBL3347298 | [C][C][NH1][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Branch1][P][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][C][=Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CHEMBL1076477 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][C][Branch1][#C][N][C][C][N][C][C][N][Branch1][C][C][C][C][... |
CHEMBL586649 | [C][N][Branch1][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][N][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl] |
CHEMBL1099016 | [C][C][Branch1][C][C][/N][=C][\S][/C][=Branch1][S][=C][\C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Ring1][#C][C][C][C][=Branch1][C][=O][O] |
CHEMBL1213203 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring1][#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][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1... |
CHEMBL164857 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][C][Ring2][R... |
CHEMBL1214854 | [O][=C][Branch1][C][O][C][C][C][=C][Branch2][Ring1][Branch1][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][O][NH1][C][=C][Ring1][P][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1] |
CHEMBL1198796 | [N][=C][Branch1][C][N][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][N][=C][N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
CHEMBL4116142 | [N][C][C][O][B][Branch1][C][O][C][=C][Branch1][Branch1][O][C][C][F][C][=C][C][Branch1][C][Br][=C][Ring1][O][Ring1][#C] |
CHEMBL1201295 | [C][C][=C][C][=C][Branch2][Ring2][=C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][P] |
CHEMBL1215485 | [N][#C][C][=C][C][=C][Branch2][Ring2][C][N][N][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][C][C@@H1][Ring1][=N][C@@H1][Ring1][S][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
CHEMBL1222580 | [C][O][C][=C][C][=C][Branch2][=Branch1][C][C@H1][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branc... |
CHEMBL1184214 | [C][#C][C][N@+1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][O][C][C][=C][C][N@+1][Branch1][Ring2][C][C][#C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][P][C][O][C][C][=C][Branch1][Branch1][C][Ring2][Ring2][Branch1][C][Branch1][=Branch2][C][C][Ring2][Ring2][Branch1][Ring2][Ring2][Branch2]... |
CHEMBL1184294 | [C][N+1][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][N+1][Branch1][C][C][C][C][O][C][C][Ring1][#Branch1] |
CHEMBL1185086 | [C][=C][C][N+1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][Ring1][=Branch2][C@@H1][Branch1][N][C@H1][Ring2][Ring1][O][C][C@@H1][Ring1][=N][Ring2][Ring1][O][C@@H1][Branch1][=Branch1][O][C][Ring2][Ring1][P][N][Branch1][=Bran... |
CHEMBL1185426 | [C][C][C][C][C][C][C][C][C][C][C][C@H1][Branch2][=Branch2][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][O][C][Branch2][Branch2][C][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch2][Ring2][Ring1][O][C][=Branch1][C][=O][C][C@@H1][Branch1][N][C][C][C][C][C... |
CHEMBL1163095 | [N][C][=N][C][Branch1][C][O][=C][N][=C][N][Branch2][Ring2][#Branch2][C][O][C@H1][Branch2][Ring1][O][C][O][P][=Branch1][C][=S][Branch1][C][S][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][#C] |
CHEMBL4116144 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][N][C][C][C][=C][S][C][=Ring1][Branch1][O][C] |
CHEMBL4116145 | [C][C][C][C][C][=Branch1][C][=O][O][C][Branch2][Ring2][#Branch2][C@H1][Branch1][#Branch2][C][C@@H1][C][C][N][C][Ring1][Branch1][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CHEMBL1179555 | [C][C][Branch1][C][C][Branch1][C][C][O][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][C][C][C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CHEMBL1179567 | [C][C][Branch2][Ring1][#Branch1][C][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C@@H1][C][C@@H1][Ring1][Ring1][Ring1][Branch2][C][C][C][C][Ring1][P] |
CHEMBL1186000 | [C][=C][C][=C][Branch2][Branch2][#Branch2][C][C][=C][C][=C][N+1][Branch2][#Branch1][=N][C][C][C][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][C][C][C][C][N+1][=C][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][=C][Branch2][Ring1][=Branch2][C][C][C][C][C][N+1][=C][C][=C][C][Branch1]... |
CHEMBL1186325 | [C][N][C][C][=N][N][=C][Branch1][C][S][O][Ring1][=Branch1] |
CHEMBL1186041 | [C][N+1][=C][S][C][Branch2][Ring1][P][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2] |
CHEMBL1184967 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][C][N][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C] |
CHEMBL3347302 | [C][C][N][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][P][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch2].[Cl] |
CHEMBL1205595 | [C][O][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch2][#Branch1][C][O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch2][Branch1][#Branch2][O][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch2][Ring1][Branch2][O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][... |
CHEMBL1094711 | [Cl][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][O][O][N][=C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] |
CHEMBL1163140 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@H1][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@@H1][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch2][Ring2][#Branch2][O][C@@H1][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H... |
CHEMBL607038 | [C][C][C][=C][Branch1][=C][C@@H1][C][C][C@H1][C][C][C][Ring1][#Branch1][N][Ring1][Branch1][C][O][N][=Ring1][=C].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O] |
CHEMBL1096654 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch2][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][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][#Branch... |
CHEMBL1096673 | [N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][F] |
CHEMBL1169618 | [C][N][C][C][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][C][C][C@H1][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][Branch2][Ring1][Ring2][C][=Branc... |
CHEMBL1170815 | [O][=C][Branch2][Ring1][C][N][C][=N][NH1][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
CHEMBL1172569 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=Branch1][#Branch1][=C][C][=C][Ring1][=Branch1][O][C][C@H1][C][=C][Branch2][Ring2][Branch2][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@H1][Ring2][Ring1][S][N][Branch1... |
CHEMBL1214443 | [O][=C][Branch1][=Branch2][N][C@H1][C][O][C][Ring1][Ring2][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] |
CHEMBL1161970 | [O][=C][Branch2][Branch1][Ring1][N][C][=C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2][N][C][=C][C][=C][C]... |
CHEMBL156114 | [N-1][=N+1][=N][C@H1][C][C@H1][Branch1][Ring1][C][O][S][C@H1][Ring1][#Branch1][N][C][=N][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2] |
CHEMBL1189522 | [C][N][C][=C][C][=C][Branch1][#C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C@][Branch1][C][C][C][C][N@@+1][Branch1][C][C][Branch1][C][O-1][C@H1][Ring2][Ring1][=Branch2][Ring1][Branch2] |
CHEMBL3347319 | [C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring1][=N][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][=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][Branc... |
CHEMBL3347320 | [C][C][N][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][P][Ring1][Branch2][C][C][Ring2][Ring1][=Branch2].[Cl] |
CHEMBL1185710 | [C][C][=C][N][Branch2][N][Ring2][C@H1][C][C@H1][Branch2][=Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@@H1][Ring1][=C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N... |
CHEMBL1186057 | [C][=C][C@][Branch1][C][C][C][C@@H1][Branch2][Branch1][#Branch1][O][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][Branch1][=N][N][C][C][C][Branch1][Ring2][C][N][C][C][Ring1][Branch2][N][=C][N][=C][Ring1][=C][Ring1][P][C@@H1][Branch1][C][C][C][Ring2][Ring1][N][C@@][Bran... |
CHEMBL1229036 | [Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=C][N+1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2] |
CHEMBL1229041 | [C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch2][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=... |
CHEMBL1214724 | [C][O][C][=C][C][C][Branch2][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][N][=C][NH1][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][C] |
CHEMBL1189598 | [O][=C][Branch2][Ring2][Ring2][N][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2] |
CHEMBL4116166 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N+1][Branch1][C][C][C][=C][Ring1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch2][C] |
CHEMBL1199062 | [N][C][C][C][C][=C][Branch2][Ring2][#Branch2][C][=C][C][Branch1][#C][O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][N][Ring2][Ring1][Ring1][C][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring2][C] |
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