diff options
Diffstat (limited to 'cv/data/csv/MOU_constitutional.csv')
| -rw-r--r-- | cv/data/csv/MOU_constitutional.csv | 804 |
1 files changed, 402 insertions, 402 deletions
diff --git a/cv/data/csv/MOU_constitutional.csv b/cv/data/csv/MOU_constitutional.csv index c1ecdc5..5571a21 100644 --- a/cv/data/csv/MOU_constitutional.csv +++ b/cv/data/csv/MOU_constitutional.csv @@ -1,402 +1,402 @@ -SMILES,nRotB,MLogP,AMR,nAtom,nAtomP -InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,1.0,1.78999996185303,25.0105991363525,10.0,4.0 -InChI%3D1S%2FC3H5Br2Cl%2Fc4-1-3%285%292-6%2Fh3H%2C1-2H2,2.0,1.46000003814697,35.636100769043,11.0,0.0 -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%29,0.0,2.11999988555908,64.7283020019531,27.0,14.0 -InChI%3D1S%2FC11H14O2%2Fc1-4-5-9-6-7-10%2812-2%2911%288-9%2913-3%2Fh4%2C6-8H%2C1%2C5H2%2C2-3H3,4.0,2.45000004768372,57.9244995117188,27.0,8.0 -InChI%3D1S%2FC3H6ClNO%2Fc1-5%282%293%284%296%2Fh1-2H3,1.0,1.46000003814697,24.9722995758057,12.0,3.0 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