Hugging Face's logo

Datasets:
HoangHa
/
enamine-nature-selfies-pretrain-p1

Modalities:
Text
Formats:
parquet
Size:
100M - 1B
Libraries:
Datasets
Dask
Dataset card Data Studio Files
xet
Community
Dataset Viewer
Auto-converted to Parquet Duplicate
molecule_smiles
stringlengths
11
82
SELFIES
stringlengths
33
260
CC(C)NC1CC(C)OC1=O
[C][C][Branch1][C][C][N][C][C][C][Branch1][C][C][O][C][Ring1][=Branch1][=O]
CC=CCCC(=O)NC(C)C
[C][C][=C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CC(C)NC(=O)C1CC12CC2
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][Ring1]
CC(C)=CCC(=O)NC(C)C
[C][C][Branch1][C][C][=C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CC(C)NC(=O)C1(C)CC1Br
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][Br]
CC=C(CC)C(=O)NC(C)C
[C][C][=C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
C=C=CCCC(=O)NC(C)C
[C][=C][=C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CC(C)NC(=O)C1CCC1C
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C]
CC(C)NC(=O)C1C=CCN1
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][N][Ring1][Branch1]
C=CC(C)(C)C(=O)NC(C)C
[C][=C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CC(C)NC(=O)C1C=CCC1
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][C][Ring1][Branch1]
CC(C)NC(=O)C(C)(O)CO
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][O][C][O]
C=CC(CC)C(=O)NC(C)C
[C][=C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
COC1(C(=O)NC(C)C)CC1
[C][O][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][=Branch2]
C=CC1(C(=O)NC(C)C)CC1
[C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][=Branch2]
CC(C)NC(=O)C1(C)CC1F
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][F]
CC(C)NC(=O)[C@]1(C)C[C@H]1C
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C@H1][Ring1][Ring2][C]
CC(C)NC(=O)C1CC1(C)C
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C]
C=CC(NC(C)C)C(=O)OC
[C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C]
CC(C)NC(=O)C1CC1(C)Br
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][Br]
CC(C)NC(=O)C1(C)CCN1
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][N][Ring1][Branch1]
CC(C)NC(=O)[C@@H](O)CCN
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][N]
CC(C)NC(=O)C1(O)CNC1
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][N][C][Ring1][Branch1]
CC(C)NC(=O)C(CN)CO
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][N][C][O]
CC(C)NC(=O)C(N)CCO
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][O]
CCC/C=C/C(=O)NC(C)C
[C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CC=CC=CC(=O)NC(C)C
[C][C][=C][C][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CC/C=C/CC(=O)NC(C)C
[C][C][/C][=C][/C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CC(=O)C=CC(=O)NC(C)C
[C][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CC(C)C=CC(=O)NC(C)C
[C][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CC(C)NC(=O)C=CC1CC1
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Ring1]
COC/C=C/C(=O)NC(C)C
[C][O][C][/C][=C][/C][=Branch1][C][=O][N][C][Branch1][C][C][C]
C=C/C=C/CC(=O)NC(C)C
[C][=C][/C][=C][/C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
C=CC=CCC(=O)NC(C)C
[C][=C][C][=C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CC(N)/C=C/C(=O)NC(C)C
[C][C][Branch1][C][N][/C][=C][/C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CNC/C=C/C(=O)NC(C)C
[C][N][C][/C][=C][/C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CC(C)NC(=O)C[C@@H](N)CO
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][N][C][O]
C=C=CC(C)C(=O)NC(C)C
[C][=C][=C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
C=CC=C(C)C(=O)NC(C)C
[C][=C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C]
CC(C)NC(=O)C[C@H](N)CO
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][N][C][O]
CC(=CC(=O)NC(C)C)CN
[C][C][=Branch1][N][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][N]
CC(=O)OCCOCC(=O)O
[C][C][=Branch1][C][=O][O][C][C][O][C][C][=Branch1][C][=O][O]
CC(=O)OC(C(=O)O)C(C)C
[C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C]
CC(=O)OCCCCC(=O)O
[C][C][=Branch1][C][=O][O][C][C][C][C][C][=Branch1][C][=O][O]
CC(=O)OCCC(C)C(=O)O
[C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
CC(=O)OC(C(=O)O)C1CC1
[C][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][Ring1]
CCCC(OC(C)=O)C(=O)O
[C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][O]
CC(=O)OC(CCF)C(=O)O
[C][C][=Branch1][C][=O][O][C][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][O]
CC(=O)OCC1(C(=O)O)CC1
[C][C][=Branch1][C][=O][O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1]
CCOC(=O)C1(C)CC1(Cl)Cl
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][Cl][Cl]
CN(C)C1=NCC(C)(C)CN1
[C][N][Branch1][C][C][C][=N][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][Branch2]
CCNC1=NCC(C)(C)CN1
[C][C][N][C][=N][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][Branch2]
[2H]C([2H])([2H])N(C)C1=NCC(C)(C)CN1
[2H][C][Branch1][C][2H][Branch1][C][2H][N][Branch1][C][C][C][=N][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][Branch2]
COC(=O)C1=COC(=O)C=C1
[C][O][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][Ring1][#Branch1]
[2H]C([2H])([2H])OC(=O)C1=COC(=O)C=C1
[2H][C][Branch1][C][2H][Branch1][C][2H][O][C][=Branch1][C][=O][C][=C][O][C][=Branch1][C][=O][C][=C][Ring1][#Branch1]
C=CC(O)CN1CCCCC1
[C][=C][C][Branch1][C][O][C][N][C][C][C][C][C][Ring1][=Branch1]
CC=CCCN1CCCCC1
[C][C][=C][C][C][N][C][C][C][C][C][Ring1][=Branch1]
O=C1CCC1N1CCCCC1
[O][=C][C][C][C][Ring1][Ring2][N][C][C][C][C][C][Ring1][=Branch1]
C=C1CC1CN1CCCCC1
[C][=C][C][C][Ring1][Ring1][C][N][C][C][C][C][C][Ring1][=Branch1]
CC1(CN2CCCCC2)CC1
[C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#Branch2]
OC1CC(N2CCCCC2)C1
[O][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2]
OCC=CCN1CCCCC1
[O][C][C][=C][C][N][C][C][C][C][C][Ring1][=Branch1]
COCCNC(C)C=C(C)C
[C][O][C][C][N][C][Branch1][C][C][C][=C][Branch1][C][C][C]
COCCNC(C)C1(C)CC1
[C][O][C][C][N][C][Branch1][C][C][C][Branch1][C][C][C][C][Ring1][Ring2]
COCCNC(C)C(C)CO
[C][O][C][C][N][C][Branch1][C][C][C][Branch1][C][C][C][O]
COCCNCC(O)C(C)C
[C][O][C][C][N][C][C][Branch1][C][O][C][Branch1][C][C][C]
COCCNC1CCOC1C
[C][O][C][C][N][C][C][C][O][C][Ring1][Branch1][C]
COCCN=C1NCC(C)N1
[C][O][C][C][N][=C][N][C][C][Branch1][C][C][N][Ring1][=Branch1]
CCC1CCC1NCCOC
[C][C][C][C][C][C][Ring1][Ring2][N][C][C][O][C]
C=CCC(C)CNCCOC
[C][=C][C][C][Branch1][C][C][C][N][C][C][O][C]
COCCNCC1(O)CCC1
[C][O][C][C][N][C][C][Branch1][C][O][C][C][C][Ring1][Branch1]
COCCNC(=O)C=CSC
[C][O][C][C][N][C][=Branch1][C][=O][C][=C][S][C]
COCCNC(CO)C(C)C
[C][O][C][C][N][C][Branch1][Ring1][C][O][C][Branch1][C][C][C]
COCCNC1CCCC1O
[C][O][C][C][N][C][C][C][C][C][Ring1][Branch1][O]
C=CCCCCNCCOC
[C][=C][C][C][C][C][N][C][C][O][C]
COCCNCC(O)C1CC1
[C][O][C][C][N][C][C][Branch1][C][O][C][C][C][Ring1][Ring1]
COCCNC(CO)C1CC1
[C][O][C][C][N][C][Branch1][Ring1][C][O][C][C][C][Ring1][Ring1]
COCCNC1CC(C)(C)C1
[C][O][C][C][N][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1]
COCCNC1CC(OC)C1
[C][O][C][C][N][C][C][C][Branch1][Ring1][O][C][C][Ring1][=Branch1]
COCCNC1CCC1(C)C
[C][O][C][C][N][C][C][C][C][Ring1][Ring2][Branch1][C][C][C]
COCCNC1CC2CC2C1
[C][O][C][C][N][C][C][C][C][C][Ring1][Ring1][C][Ring1][=Branch1]
C=C1CC(CNCCOC)C1
[C][=C][C][C][Branch1][#Branch1][C][N][C][C][O][C][C][Ring1][#Branch2]
COCCNC1CCC1OC
[C][O][C][C][N][C][C][C][C][Ring1][Ring2][O][C]
COCCNC1CNC2CC12
[C][O][C][C][N][C][C][N][C][C][C][Ring1][=Branch1][Ring1][Ring1]
COCCNCC1CC12CC2
[C][O][C][C][N][C][C][C][C][Ring1][Ring1][C][C][Ring1][Ring1]
COCCNC[C@H]1CC1(C)C
[C][O][C][C][N][C][C@H1][C][C][Ring1][Ring1][Branch1][C][C][C]
COCCNCC1CC(C)C1
[C][O][C][C][N][C][C][C][C][Branch1][C][C][C][Ring1][Branch1]
COCCNCCC1(C)CC1
[C][O][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][Ring2]
COCCNC1CCC1CO
[C][O][C][C][N][C][C][C][C][Ring1][Ring2][C][O]
C=CC1CC(NCCOC)C1
[C][=C][C][C][C][Branch1][=Branch1][N][C][C][O][C][C][Ring1][=Branch2]
COCCNC1CC2(CC2)C1
[C][O][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][=Branch1]
COCCNC1COCC1C
[C][O][C][C][N][C][C][O][C][C][Ring1][Branch1][C]
COCCNCC1CC1(C)Br
[C][O][C][C][N][C][C][C][C][Ring1][Ring1][Branch1][C][C][Br]
CCC1CC1CNCCOC
[C][C][C][C][C][Ring1][Ring1][C][N][C][C][O][C]
COCCNC1CN[C@@H](C)C1
[C][O][C][C][N][C][C][N][C@@H1][Branch1][C][C][C][Ring1][=Branch1]
COCCNC1CC(C)(N)C1
[C][O][C][C][N][C][C][C][Branch1][C][C][Branch1][C][N][C][Ring1][=Branch1]
COCCNC1CC(N)C1C
[C][O][C][C][N][C][C][C][Branch1][C][N][C][Ring1][Branch1][C]
COCCNC(C)C1CCN1
[C][O][C][C][N][C][Branch1][C][C][C][C][C][N][Ring1][Ring2]
COCCNC(=O)C=CCO
[C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][O]
COCCNC1CCC1CN
[C][O][C][C][N][C][C][C][C][Ring1][Ring2][C][N]
End of preview. Expand in Data Studio
README.md exists but content is empty.
Downloads last month
45
Size of downloaded dataset files:
4.93 GB
Size of the auto-converted Parquet files:
4.93 GB
Number of rows:
116,948,934

Collection including HoangHa/enamine-nature-selfies-pretrain-p1