Datasets:
lhallee
/
LD50_selfies

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labels
float64
0.29
10.2
seqs
stringlengths
6
382
2.24
[C][O][Si][Branch2][Ring1][=Branch1][C][C][C][C][C][C][C][C][C][C][Si][Branch1][Ring1][O][C][Branch1][Ring1][O][C][O][C][Branch1][Ring1][O][C][O][C]
1.936
[C][C][C][C][C][=C][C][=O]
2.24
[C][C][C][N][Branch1][Ring2][C][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1]
1.758
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]
1.536
[C][C][Branch1][C][C][C][O][C][C][O][C][C][O]
2.007
[C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=N]
3.034
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][N]
1.477
[O][C][C][Si][Branch1][Ring2][C][C][O][Branch1][Ring2][C][C][O][C][C][O]
2.978
[O][=N+1][Branch1][C][O-1][C][=N][C][=C][S][Ring1][Branch1]
1.465
[C][N][Branch1][C][C][C][=Branch1][C][=N][N][C][#N]
2.622
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][Ring1][O][C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]
2.522
[C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O]
2.28
[C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][C]
2.205
[C][C][C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O]
3.18
[N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=S][C][=C][Ring1][#Branch2][C][=C][Ring1][S]
3.583
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][=N]
1.325
[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C]
1.896
[C][C][O][P][=Branch1][C][=O][Branch1][C][O][O]
3.849
[C][O][C][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][N][=O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][C][O]
2.766
[C][C][C][S][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C]
2.538
[C][C][O][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N]
2.141
[C][N][Branch1][C][C][Si][Branch1][=Branch1][N][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][C][C][C]
3.063
[C][C][Branch2][Ring1][C][C][N][C][C][N][Branch1][#Branch1][C][C][O][C][C][O][C][C][Ring1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C]
4.807
[C][N][C][=Branch1][C][=O][O][N][=C][S][C][C][S][Ring1][Branch1]
2.254
[C][S][C][Branch1][C][C][Branch1][C][C][C][=N][O]
2.901
[N][C][C][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
1.871
[S][C][C][=C][N][=C][C][=N][Ring1][=Branch1]
2.96
[C][C][=Branch1][C][=O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
4.065
[C][N][C][=Branch1][C][=O][O][N][=C][C][Branch1][C][C][Branch1][C][C][O][C]
1.814
[C][S][C][C][=C][N][=C][C][=N][Ring1][=Branch1]
2.203
[C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
2.158
[C][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=O]
2.713
[C][=C][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][O][C][=Branch1][C][=O][C][=C]
3.674
[C][C][C][C][C][Branch1][C][C][Branch1][C][O][C][C][=C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][Ring1][#Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O][C]
2.091
[C][C][=Branch1][C][=O][O][C][C][N][Branch1][=Branch2][C][C][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
3.288
[C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
6.282
[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C]
1.981
[O][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=N][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.302
[C][=C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][N][C]
1.587
[C][O][C][=C][C][Branch1][Branch2][C][=C][C][Branch1][C][N][=O][=C][C][=C][Ring1][O][O]
2.031
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O]
2.276
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][C][Branch1][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Ring2][Ring1][C][Ring1][#Branch2]
2.05
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O]
2.134
[O][=C][Branch1][C][O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
2.123
[C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2]
2.358
[C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
2.444
[C][C][C][C][O][P][=Branch1][C][=O][Branch1][Branch1][O][C][C][O][O][C][C][C][C]
1.754
[C][N][Branch1][C][C][C][C][O][C][C][O]
3.609
[O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][O]
1.757
[O][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O]
1.683
[Cl][C][=C][C][=C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][N][Cl]
1.653
[C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][=C][Ring1][=Branch2]
1.774
[O][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][Branch1][C][O][=C][Ring1][=Branch2][I]
2.966
[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
2.313
[C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][C][N][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1]
1.747
[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][N][C][C][C][C][C][Ring1][=Branch1]
2.03
[C][C][C][C][N][Branch1][Ring1][N][=O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Branch1][C][C][C][C][N][=O][C][=C][Ring1][=N]
2.44
[C][C][S][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
3.716
[N][C][=N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][S][Ring1][=C]
3.717
[O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][#C][=Ring1][=Branch2]
3.205
[I][C][=N][C][Branch1][C][I][=C][Branch1][C][I][NH1][Ring1][#Branch1]
2.9
[O][C][C][C][S]
3.432
[C][C][Branch1][C][C][=N][N][C][Branch1][C][N][=S]
2.415
[C][C][O][C][=Branch1][C][=O][C][O][C][Ring1][Ring1][C]
1.85
[N][#C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
2.8
[C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][N][N][=N][C][=N][Ring1][N][C][=C][Ring2][Ring1][Ring1]
2.885
[C][C][O][C][=Branch1][C][=S][S][C][C][#N]
1.689
[C][N][Branch1][C][C][C][C][N][N]
1.774
[C][O][C][=C][C][=C][Branch1][Ring2][S][C][#N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N]
3.099
[N][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N]
1.462
[C][O][Si][Branch1][Branch2][C][C][C][N][C][C][N][Branch1][Ring1][O][C][O][C]
4.411
[C][O][C][=C][Branch1][P][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][C][Branch1][C][C][C][C][=N][N][Branch1][C][C][C][Ring1][P][=O]
2.867
[N][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C]
2.995
[C][C][C][C][C][C][C][Branch1][Ring1][C][C][C][Ring1][Branch2][N]
3.927
[C][C][O][P][=Branch1][C][=S][Branch2][Ring1][C][O][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][S][C][O][C][Branch1][C][C][C]
2.589
[N][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C]
3.023
[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
2.565
[C][C][Branch1][C][C][=N][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C]
4.439
[C][C][O][P][=Branch1][C][=S][Branch2][Ring1][=Branch2][O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=N][O][C][O][C][Branch1][C][C][C]
3.061
[O][=C][Branch1][=Branch1][C][Branch1][C][Cl][Cl][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
2.972
[C][N][Branch1][C][C][N][=N][C][=C][C][=C][N][=C][Ring1][=Branch1]
2.469
[C][C][Branch1][C][C][=N][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N]
1.196
[C][C][C][C][C][=C][C][C][C][C][C][C][O]
5.003
[C][C][O][P][=Branch1][C][=S][Branch2][Ring1][C][O][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][O][C][O][C][Branch1][C][C][C]
2.944
[C][C][Branch1][C][C][=N][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C]
2.005
[N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][=C][Ring1][Branch2][Cl]
1.809
[C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C]
2.892
[C][C][Branch1][C][C][=N][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][=C]
4.112
[C][C][C][O][P][=Branch1][C][=S][Branch1][Branch1][O][C][C][C][O][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][O][C]
3.467
[C][C][=C][C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Ring1][=Branch2][C][=C][Ring1][=N][C]
3.809
[C][C][O][P][=Branch1][C][=O][Branch2][Ring1][C][O][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][O][C][S][C][Branch1][C][C][C]
3.412
[C][=C][Branch1][C][Cl][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
3.669
[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][Branch1][C][C][C][C]
2.57
[C][C][=Branch1][C][=O][O][C][C][C][C][=Branch1][C][=O][C][Br]
2.353
[Cl][C][C][C][Branch1][C][Cl][C][Branch1][C][Cl][C][Ring1][#Branch1][Cl]
1.865
[C][C][O][Si][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.693
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=Branch1][C][=O][O]
1.809
[C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O]
2.184
[C][=C][C][=Branch1][C][=O][N][C][O][C][C][C][C]
1.937
[C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][Cl][C][=C][Branch1][C][Cl][Cl]