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 988b6e2..ad6ec48 100644 --- a/cv/data/csv/MOU_joelib.csv +++ b/cv/data/csv/MOU_joelib.csv @@ -1,402 +1,402 @@ -SMILES,KierShape3,HBA1,HBA2,LogP,MolarRefractivity,ZagrebIndex1,PolarSurfaceArea -InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,4.0,0.0,0.0,1.9249,25.19,16.0,0.0 -InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,3.0,0.0,0.0,2.3836,37.229,20.0,0.0 -InChI%3D1S%2FC11H11N5%2Fc1-6-5-13-7-3-4-8-10%289%287%2914-6%2915-11%2812%2916%288%292%2Fh3-5H%2C1-2H3%2C%28H2%2C12%2C15%29,1.76454293628809,3.0,4.0,1.2375,60.9574,90.0,70.35 -InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3,3.0,2.0,2.0,2.4323,53.447,58.0,18.46 -InChI%3D1S%2FC3H6ClNO%2Fc1-5%282%293%284%296%2Fh1-2H3,3.0,2.0,2.0,0.9068,24.936,22.0,20.31 -InChI%3D1S%2FC6H7N3O%2Fc7-9-6%2810%295-2-1-3-8-4-5%2Fh1-4H%2C7H2%2C%28H%2C9%2C10%29,2.28571428571429,4.0,4.0,0.2599,37.5902,44.0,71.5 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