diff options
Diffstat (limited to 'cv/data/csv/LOAEL_joelib.csv')
| -rw-r--r-- | cv/data/csv/LOAEL_joelib.csv | 880 |
1 files changed, 440 insertions, 440 deletions
diff --git a/cv/data/csv/LOAEL_joelib.csv b/cv/data/csv/LOAEL_joelib.csv index 64a480e..6c01d34 100644 --- a/cv/data/csv/LOAEL_joelib.csv +++ b/cv/data/csv/LOAEL_joelib.csv @@ -1,440 +1,440 @@ -SMILES,KierShape1,GraphShapeCoefficient,GeometricalDiameter,PolarSurfaceArea,KierShape2,FractionRotatableBonds,NumberOfBonds,NO2Groups,AliphaticOHGroups,MolarRefractivity,KierShape3,NumberOfHal,TopologicalDiameter,OSOGroups,HeavyBonds,HBD1,AromaticOHGroups,MolecularWeight,HydrophobicGroups,HBD2,RotatableBonds,SO2Groups,GeometricalRadius,HBA1,AromaticBonds,ZagrebIndex1,TopologicalRadius,LogP,NumberOfAtoms,HeteroCycles,HBA2,BasicGroups,AcidicGroups -InChI%3D1S%2FC13H12BrCl2N3O%2Fc14-9-4-13%2820-5-9%2C6-19-8-17-7-18-19%2911-2-1-10%2815%293-12%2811%2916%2Fh1-3%2C7-9H%2C4-6H2,14.9173553719008,8.0,0.0,39.94,6.01171875,0.136363636363636,22.0,0.0,0.0,81.446,3.12244897959184,3.0,9.0,0.0,22.0,0.0,0.0,364.972992897034,0.0,0.0,3.0,0.0,0.0,3.0,11.0,108.0,1.0,3.6642,20.0,2.0,4.0,0.0,0.0 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