Datasets:
lhallee
/
LD50_selfies

Dataset card Viewer Files Community
labels
float64
0.29
10.2
seqs
stringlengths
6
382
2.822
[C][C][Branch1][Branch2][C][O][N+1][=Branch1][C][=O][O-1][O][N+1][=Branch1][C][=O][O-1]
2.551
[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C]
1.626
[C][C][Branch1][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O]
0.926
[C][C][Branch1][C][N][=O]
2.397
[C][C][Branch1][C][N][=S]
2.843
[C][C][Branch1][C][N][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
2.11
[C][C][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
3.654
[C][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
3.899
[C][C][Branch1][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
1.815
[C][C][Branch1][C][N][C][C][N]
1.522
[C][C][Branch1][C][N][C][N]
3.068
[C][C][Branch1][P][N][C][=Branch1][#Branch2][=N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][#N][C][Branch1][C][C][Branch1][C][C][C]
2.728
[C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
1.259
[C][C][=Branch1][C][=O][O]
2.912
[C][C][Branch1][C][O][C][#N]
1.383
[C][C][Branch1][C][O][C][=Branch1][C][=O][O]
1.646
[C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]
2.485
[C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.952
[C][C][Branch1][C][O][C][C][C][=C][C][C][Ring1][=Branch1]
1.504
[C][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][O]
1.181
[C][C][Branch1][C][O][C][C][Branch1][C][C][O]
1.607
[C][C][Branch1][C][O][C][C][=O]
1.771
[C][C][Branch1][C][O][C][C][C][Branch1][C][C][O]
0.685
[C][C][Branch1][C][O][C][C][O]
1.379
[C][C][Branch1][C][O][C][F]
1.554
[C][C][Branch1][C][O][C][N]
1.737
[C][C][Branch1][C][O][C][N][Branch1][C][C][C]
1.504
[C][C][Branch1][C][O][C][N][Branch1][#Branch1][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O]
2.714
[C][C][Branch1][C][O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C]
3.207
[C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
1.297
[C][C][Branch1][C][O][C][N][C][C][Branch1][C][C][O]
0.58
[C][C][Branch1][C][O][C][O]
2.716
[C][=C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][O]
1.669
[C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][O]
0.956
[C][C][Branch1][C][O][C][O][C][C][Branch1][C][C][O]
1.952
[C][#C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
2.519
[C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][O]
2.618
[C][C][Branch1][P][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][=Branch1][C][=O][O]
2.468
[C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][O]
2.781
[C][C][Branch1][Branch1][O][C][C][Cl][O][C][C][Cl]
1.996
[C][C][Branch1][#Branch1][O][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
1.739
[C][=C][Si][Branch1][C][Cl][Branch1][C][Cl][C][C]
2.09
[C][C][Si][Branch1][C][Cl][Branch1][C][Cl][Cl]
3.122
[C][#C][C][=Branch1][C][=O][C][=C][C]
1.736
[C][C][=C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C]
1.237
[C][=C][O][C][=Branch1][C][=O][C][=C][C]
1.935
[C][C][=C][C][=Branch1][C][=O][O]
3.451
[C][#C][C][Branch1][C][O][C][=C][C]
1.937
[C][C][=C][C][=Branch1][C][=O][O][C][Branch1][Ring2][C][=C][C][O][C][=Branch1][C][=O][C][=C][C]
1.183
[C][C][=C][C][=C][C][=Branch1][C][=O][O]
2.506
[C][C][=C][C][=C][C][=O]
1.507
[C][C][=C][C][=C][C][O][C][Branch1][C][C][=O]
1.627
[C][C][=C][C][=C][C][O][C][C][O]
2.532
[C][C][=C][C][=O]
1.516
[C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
2.083
[C][C][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
1.594
[C][C][=C][Cl]
1.889
[C][C][=C][C][O]
1.147
[C][C][=C][C][O][C][=C][C]
2.495
[C][C][=N][N][Branch1][C][C][C][=O]
1.824
[C][C][=O]
4.288
[C][C][Branch1][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][Ring2][Ring1][#Branch1][Branch1][C][C][C]
4.226
[C][C][Branch1][C][C][C][Branch1][#Branch1][C][=C][Branch1][C][Br][Br][C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N]
2.86
[C][C][Branch1][C][C][C][Branch1][#Branch1][C][=C][Branch1][C][Cl][Cl][C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][F][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C]
3.774
[C][C][Branch1][C][C][C][Branch1][#Branch1][C][=C][Branch1][C][Cl][Cl][C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N]
2.98
[C][C][Branch1][C][C][C][Branch1][#Branch1][C][=C][Branch1][C][Cl][Cl][C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N]
2.271
[C][C][Branch1][C][C][C][C][C][=C][Branch1][Ring2][C][C][O][C][Ring1][#Branch2][C][Ring1][=Branch2]
2.199
[C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][Branch1][#Branch2][O][C][=Branch1][C][=O][C][S][C][#N][C][Ring1][=C]
1.425
[C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][Branch1][C][O][C][Ring1][Branch2]
2.156
[C][C][Branch1][C][C][C][C][Branch1][C][N][Branch1][C][O][C][C][Branch1][C][C][Branch1][Ring1][C][N][C][Ring1][N]
2.605
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][Br][C][=Branch1][C][=O][N][Ring1][=Branch2][Cl]
2.561
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][Cl][C][=Branch1][C][=O][N][Ring1][=Branch2][Cl]
1.216
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O]
1.816
[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][C][Ring1][=Branch2]
2.513
[C][C][=C][C][=C][C][Branch1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][S][C]
2.225
[C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C]
2.199
[C][C][=C][C][=N][C][=C][Ring1][=Branch1][C]
2.832
[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]
1.499
[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl]
2.574
[C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1]
2.456
[C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1]
2.532
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
1.546
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O]
3.012
[C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]
1.461
[C][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][N][Cl]
3.323
[C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][C][O][P][=Branch1][C][=O][Branch1][=Branch1][O][C][C][C][Cl][O][C][C][C][Cl][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Ring1]
2.664
[C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][O][C][=C][C][Branch1][S][O][P][=Branch1][C][=O][Branch1][Branch1][O][C][C][Cl][O][C][C][Cl][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][P]
1.256
[C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Branch1][C][N][C][=C][Ring1][O][Cl]
1.892
[C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Cl]
2.204
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N]
2.392
[C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][Cl]
2.404
[C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N]
2.778
[C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
4.297
[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][O]
2.534
[C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][O]
1.622
[C][C][=N][C][=C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][Ring1][C][=O][=C][Ring1][=C][O]
1.626
[C][C][=N][C][=C][Branch1][Ring1][C][O][C][Branch1][Ring1][C][O][=C][Ring1][#Branch2][O]
1.534
[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O]
2.951
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
2.457
[C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][O]