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SELFormer-selfies

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chembl_id
stringlengths
7
13
selfies
stringlengths
3
6.7k
CHEMBL3309413
[C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][=N][=O]
CHEMBL1223703
[O][=C][Branch2][Ring2][#Branch1][O][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
CHEMBL1224732
[C][=C][C][C][C@@][Branch1][Branch1][O][C][Ring1][=Branch1][O][C][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch2][Ring2][#Branch2][O][C@@H1][O][C][C@H1][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1]...
CHEMBL1224734
[C][=C][C][O][C@][Branch1][=Branch1][C][C@H1][Ring1][=Branch1][O][O][C][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch2][Ring2][#Branch2][O][C@@H1][O][C][C@H1][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Br...
CHEMBL1224737
[C][C@H1][C][C][C@@][Branch1][Branch1][O][C][Ring1][=Branch1][O][C][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch2][Ring2][Ring1][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring...
CHEMBL1223232
[C][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][/C][=C][\C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=B...
CHEMBL438760
[C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][Branch3][Ring2][C][Ring1][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][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Bran...
CHEMBL501280
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][Ring1][#C][C][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][...
CHEMBL501288
[C][C][Branch1][C][C][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C][=Branch2][=Branch1][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][S][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][N+1][...
CHEMBL502243
[C][C][=C][C][Branch2][Branch1][#C][C][C@@H1][Branch2][Ring2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Bran...
CHEMBL412531
[C][C][C@H1][Branch1][C][C][C@@H1][Branch2][#Branch2][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][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][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@@H...
CHEMBL414476
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][N][Branch2][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C@H1][...
CHEMBL414479
[C][S][C][C][C@@H1][Branch2][=Branch2][Ring1][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][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][Ring1][C][O][N][C][=Branch1][C...
CHEMBL414481
[C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][O][C@@H1][Branch2][=C][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C@H1][Branch2][Branch2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Bran...
CHEMBL414487
[C][C][Branch1][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Bran...
CHEMBL429374
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][S][#Branch1][N][C][=Branch1][C][=O][C][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][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C...
CHEMBL155451
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][O][Ring1][S][C][=C][Ring2][Ring1][Branch2]
CHEMBL414275
[C][C][=Branch1][C][=O][N][C@@H1][C][S][S][C][C@H1][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][#Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][...
CHEMBL4116146
[C][C][C][C][N][C][=N][C][Branch1][C][N][=N][C][Branch1][C][C][=C][Ring1][Branch2][C][C][C][N][C][C][N][C][C][Ring1][=Branch1]
CHEMBL414769
[C][C][O][C][Branch2][N][#Branch1][O][C][C][Branch2][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][C][O][C@H1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][S][N][C][=Branch1][C][=O][C@H1][Ring2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@...
CHEMBL415644
[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][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][=...
CHEMBL429551
[C][C][C][C][C@H1][Branch2][#Branch2][#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][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O]...
CHEMBL3309324
[O][=C][C][=C][C][=Branch1][C][=O][C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=C]
CHEMBL3309327
[C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1]
CHEMBL4116149
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch2][N+1][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2]
CHEMBL3309334
[C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][=C][C][Ring1][=C][=O]
CHEMBL6325
[C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
CHEMBL6327
[C][C][/C][=Branch2][Ring2][Ring2][=C][Branch1][N][\C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][N][O][C][C][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]
CHEMBL6328
[C][C][=C][C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][C][=C][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
CHEMBL3309423
[C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O]
CHEMBL502613
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][=O][C@@H1][Branch1][C][O][C@H1][Branch2][Branch1][=C][O][C@@H1][O][C@H1][Branch2][Ring2][#Branch2][C][O][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C...
CHEMBL20226
[C][C][Branch1][C][C][C@H1][Branch2][Branch1][#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][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C...
CHEMBL502303
[C][N][C][=Branch1][C][=O][C][C][C@@H1][Branch2][Branch2][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][#Branch2][/C][=C][/C][Branch1][C][C][=C][/C@H1][Branch1][C][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][...
CHEMBL508600
[C][#C][C][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch2][#Branch1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch2][Branch1][#Branch2][C][=Branch1][C][=O]...
CHEMBL1203385
[Cl].[O][=C][Branch1][C][O][C][C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][N]
CHEMBL1222193
[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][=Branch1][Ring2][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch2][Ring2][=N][O][C][=Branch1][C][=O][C][C][N][C][C][C][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][...
CHEMBL1222209
[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][=Branch1][Branch1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch2][Ring2][=C][O][C][=Branch1][C][=O][C][C][N][C][C][N][C][=C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][N][Branch1][=Branch1][C]...
CHEMBL1223111
[C][C][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][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][R...
CHEMBL412726
[C][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][#Branch2][#C][C][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][=Branch2][Ring1][C][=Branch1][C][=O][N][C][C][=C][Branch2][#Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch2][=Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][=Branch1]...
CHEMBL412731
[N][=C][Branch1][C][N][N][C][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][N][C][C][C][C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1]...
CHEMBL3309512
[C][C@H1][C][C][=C][Branch2][Ring2][N][C@@H1][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C@@][Ring1][#Branch2][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@H1][Branch1][Ring2][C][Ring1][N][C@][Ring1][O][Branch1][C][O][C][Ring2][Ring1][Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1]...
CHEMBL414699
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][=N][O][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][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1...
CHEMBL414718
[C][S][C][C][C@H1][Branch2][Ring2][N][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][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][...
CHEMBL414947
[C][C][C][C@H1][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1...
CHEMBL410816
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][S][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1...
CHEMBL410818
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][N][N][C][C@H1][Branch2][=Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#...
CHEMBL4116167
[C][C][=C][C][=C][Branch2][Ring2][N][C][=C][Branch2][Ring1][Ring1][C][O][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Branch1][C][C][=N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1][C][N][C][=C][Ring2][Ring1][#C]
CHEMBL4116168
[N][C][C][C][N][N][=C][Branch1][S][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring2][Ring2][Ring1][=O]
CHEMBL410821
[C][C@H1][Branch2][Branch2][#C][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1]...
CHEMBL410953
[C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][N][C][=Branch1][C][=O][C][C][N][Branch1][=Branch1][C][C@@H1][Ring1][Branch1][O][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][C@H1][Branch1][C][O][C][C][N][C][=Branch1][C][...
CHEMBL3309279
[C][O][C][=C][C][Branch2][Ring1][N][/C][=C][/C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][#C][=C][Branch1][C][Br][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C]
CHEMBL441945
[C][C][C@H1][Branch1][C][C][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][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Bran...
CHEMBL501619
[C][C][=C][C][=N+1][Branch2][=Branch1][Ring1][C][C][C][C][C][C][=C][C][Branch1][P][C][C][C][C][C][N+1][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Branch1][P][C][C][C][C][C][N+1][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C][C][C][C][C][C][N+1][=C][C][=C][Branch1][C][C][C][=C][Rin...
CHEMBL501622
[C][C][Branch1][C][C][C][C@H1][Branch2][Branch2][=N][N][C][=Branch1][C][=O][C][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][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][N][C][=Branch1][C]...
CHEMBL4116153
[C][C][C@@H1][C][C@][Branch1][Branch2][C][C][C@H1][Ring1][=Branch1][O][C][C][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][N][C@@][Ring2][Ring1][Ring2][C][O][C][Branch1][C][N][=N][Ring1][=Branch1]
CHEMBL501796
[C][S][C][C][C@H1][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][B...
CHEMBL501800
[C][=C][C@][Branch1][C][C][Branch3][Ring1][C][=C][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][S][#C][O][C@][Branch1][C][C][Branch1][Ring1][C][=C][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch2][=Branch1][#C][C][=Branch1][C][=O][O][C@@H...
CHEMBL2070335
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][=C]
CHEMBL502486
[C][C@@H1][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring2][N][C][=O][=C][Ring1][=Branch2][O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][S][O][C][=Branch1][C][=O][C][=C][C]...
CHEMBL503290
[C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch2][#Branch2][=N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][S][C][C@H1][Branch2][Ring2][#Branch2][N][C][=B...
CHEMBL503296
[C][/C][=C][\N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch2][#Branch1...
CHEMBL503410
[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch2][Branch1][N][O][C@H1][C@H1][Branch1][C][C][O][C@H1][O][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][=Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C]...
CHEMBL3309336
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][Ring1][S][=O]
CHEMBL6330
[C][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][C][N][=C][C][=C][Ring1][#Branch2][O][C][O][Ring1][Branch1]
CHEMBL6331
[C][N][C][=C][Branch2][Ring2][#Branch2][C][=C][Branch2][Ring1][O][C][=C][N][Branch1][N][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring2][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][S]
CHEMBL6332
[C][N][C][=C][Branch2][Ring2][Branch2][C][=C][Branch2][Ring1][=Branch2][C][=C][N][Branch1][#Branch2][C][C][C][C][C][=Branch1][C][=N][N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring2][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][S]
CHEMBL6334
[C][=C][C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][C@@H1][C][C][C][N][Ring1][Branch1][C][C][Ring1][N][=C][C][=N][Ring2][Ring1][Ring1]
CHEMBL6335
[O][=C][O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][=C][Ring1][Branch2][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][Ring1][Branch2]
CHEMBL3309427
[C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O]
CHEMBL412976
[C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch1][C][O][C@@H1][Branch1][Branch1][O][C][C][N][N][C][=Branch1][C][=O][C@@H1][C@@H1][Branch1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][O][C@H1][Branch1][C][O][C][C][Branch1][C][N][=...
CHEMBL412977
[C][C][C][C][O][C][=C][C][=C][Branch2][#C][Branch2][C][N][C][C][Branch2][=N][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch2][Branch2][Ring1][N][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1][N][C][...
CHEMBL412982
[C][C][Branch1][C][C][C@H1][Branch2][Branch1][#Branch2][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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Br...
CHEMBL1223185
[C][O][C][=C][C][Branch2][Ring2][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][Ring1][#Branch1][=C][\C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][C][Se][Ring1][P][=C][C][=C][Ring2][Ring2][C][O]
CHEMBL1215785
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][Ring1][C][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][Branch2][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][N+1][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][C][C][Branc...
CHEMBL1214569
[C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][S]
CHEMBL1214847
[C][N][C][C][N][Branch2][Ring2][O][C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][N][Branch1][=C][C][=N][C][Branch1][Ring1][C][#N][=N][C][=C][Ring1][Branch2][Br][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][S]
CHEMBL411967
[C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][C][=Branch1][C][=O][N][C][C][C]...
CHEMBL412537
[C][C@H1][Branch2][=Branch1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C]...
CHEMBL412550
[C][C@@H1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][N][C][=Branch1][C][=O][C@H1][Branch1][N][C][C][C][N][=C][Branch1][C][N][N][Ring1][#Branch1][N][C][=Branch1][C][=O][/C][=Branch1][P][=C][/N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][N][C][=Branc...
CHEMBL412553
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][#Branch2][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][C][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][=...
CHEMBL410197
[C][O][C][=C][C][=C][Branch2][Branch2][=C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1...
CHEMBL410200
[C][C][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][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][Branc...
CHEMBL3309282
[O][=C][Branch2][Ring2][#C][C][C][N][C][C][N][Branch2][Ring1][P][C][=C][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][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2][O][C][C][Branch2][Ring1][Branch1][C][C][C][N][C][=Branch1][C...
CHEMBL4116126
[C][O][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][C][N+1][=C][C][=C][C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C]
CHEMBL4116127
[C][O][C@H1][O][C@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Branch2][#Branch2][#Branch2][O][C@@H1][O][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch2][Branch2][#Branch2][O][C@@H1][O][C@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Branch2][Branch1][=N][O...
CHEMBL3309284
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][=Branch1][C][=O][N][O][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][Branch2]
CHEMBL6496
[C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][N][=C][S][Ring1][Branch1][C][=C][Ring1][#C]
CHEMBL6497
[C][C][=C][N][Branch1][#C][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O]
CHEMBL6498
[C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][Ring1][#Branch2]
CHEMBL6499
[C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][Ring1][=Branch1][/N][=C][Branch1][C][\S][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][S][Ring2][Ring1][#Branch2]
CHEMBL6500
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][S][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][O][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch2]
CHEMBL3309338
[C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C]
CHEMBL6517
[C][O][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][=C][Ring1][=C][S][Ring1][P]
CHEMBL6518
[C][C][C][C][C][C][C][C][/C][=Branch2][Ring1][=Branch1][=C][/C][N][O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2][=O][C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][...
CHEMBL6519
[C][=C][C][N][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][O][C][Ring1][#Branch2][=O][C][=C][Ring1][P][C][=C][C][Ring2][Ring1][Branch2][=O]
CHEMBL6520
[C][C][C][N][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Br...
CHEMBL6521
[N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][=N][N][=C][Ring2][Ring1][=Branch1][Cl]
CHEMBL216785
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][O][C][=Branch1][C]...
CHEMBL3309436
[C][C][C][C@H1][C][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C@@H1][O][C@H1][Branch1][Ring1][S][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][C@@H1][Branch1][C][C][O][N][Branch1][C][C][C][Ring2][Ring1][Branch2]
CHEMBL3309440
[C][C@H1][C][C][=C][C@H1][Ring1][Branch1][C][C@][Branch1][C][O][C][=Branch1][C][=O][C][C@@][Ring1][=Branch2][Branch1][C][C][C][Ring1][Branch2][Branch1][C][C][C][O]