diff options
Diffstat (limited to 'cv/data/csv/MOU_joelib.csv')
| -rw-r--r-- | cv/data/csv/MOU_joelib.csv | 804 |
1 files changed, 402 insertions, 402 deletions
diff --git a/cv/data/csv/MOU_joelib.csv b/cv/data/csv/MOU_joelib.csv index 664ae57..52a5109 100644 --- a/cv/data/csv/MOU_joelib.csv +++ b/cv/data/csv/MOU_joelib.csv @@ -1,402 +1,402 @@ -SMILES,SO2Groups,NumberOfAtoms,BasicGroups,KierShape2,GraphShapeCoefficient,GeometricalDiameter,AromaticOHGroups,KierShape3,HBD1,TopologicalDiameter,HBD2,AliphaticOHGroups,NumberOfHal,HeavyBonds,AcidicGroups,NumberOfBonds,NO2Groups,HydrophobicGroups,HBA1,ZagrebIndex1,MolarRefractivity,LogP,HeteroCycles,HBA2,MolecularWeight,GeometricalRadius,OSOGroups,AromaticBonds,RotatableBonds,PolarSurfaceArea,TopologicalRadius,KierShape1,FractionRotatableBonds -InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,0.0,5.0,0.0,2.25,2.0,0.0,0.0,4.0,0.0,3.0,0.0,0.0,1.0,4.0,0.0,4.0,0.0,0.0,0.0,16.0,25.19,1.9249,0.0,0.0,83.496997833252,0.0,0.0,0.0,1.0,0.0,1.0,5.0,0.25 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