diff options
Diffstat (limited to 'cv/data/csv/MOU_topological.csv')
| -rw-r--r-- | cv/data/csv/MOU_topological.csv | 804 |
1 files changed, 402 insertions, 402 deletions
diff --git a/cv/data/csv/MOU_topological.csv b/cv/data/csv/MOU_topological.csv index 1f9bfb7..7f3a5da 100644 --- a/cv/data/csv/MOU_topological.csv +++ b/cv/data/csv/MOU_topological.csv @@ -1,402 +1,402 @@ -SMILES,VCH-5,ATSm1,VP-6,ATSc2,SCH-7,MDEC-23,MDEN-23,khs.ssNH,ATSc4,VCH-6,MDEC-14,khs.sCH3,VCH-7,khs.sssN,ATSm5,fragC,TopoPSA,VC-3,Kier2,VPC-4,Kier3,VP-1,SC-3,VPC-5,VP-2,VPC-6,khs.dO,VP-3,VP-4,ATSc1 -InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,0.0,12.7127532958984,0.0,-0.0081307040527463,0.0,1.0,0.0,0.0,-0.000162440846906975,0.0,0.0,0.0,0.0,0.0,0.0,61.0099983215332,0.0,0.231455028057098,2.25,0.163663417100906,4.0,1.61742353439331,0.40824830532074,0.0,1.13646697998047,0.0,0.0,0.375792592763901,0.0,0.025400809943676 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