diff options
Diffstat (limited to 'cv/data/csv/LOAEL_constitutional.csv')
| -rw-r--r-- | cv/data/csv/LOAEL_constitutional.csv | 880 |
1 files changed, 440 insertions, 440 deletions
diff --git a/cv/data/csv/LOAEL_constitutional.csv b/cv/data/csv/LOAEL_constitutional.csv index a2244bc..6b51b11 100644 --- a/cv/data/csv/LOAEL_constitutional.csv +++ b/cv/data/csv/LOAEL_constitutional.csv @@ -1,440 +1,440 @@ -SMILES,nB,AMR,nAtom,nAtomLC,nAtomLAC,nAromBond,nHBDon,ALogP,ALogp2,nAtomP,naAromAtom,nRotB,MLogP,XLogP -InChI%3D1S%2FC6H10N6%2Fc7-4-10-5%288%2912-6%2811-4%299-3-1-2-3%2Fh3H%2C1-2H2%2C%28H5%2C7%2C8%2C9%2C10%2C11%2C12%29,13,35.2267990112305,22,0,0,0,5,-0.613099992275238,0.375891596078873,9,0,1,1.46000003814697,2.08200001716614 -InChI%3D1S%2FC14H21N3O4%2Fc1-6-9%282%2915-13-11%2816%2818%2919%297-10%2814%283%2C4%295%298-12%2813%2917%2820%2921%2Fh7-9%2C15H%2C6H2%2C1-5H3,21,46.3053016662598,42,5,4,6,1,0.80680000782013,0.650926232337952,13,6,6,2.23000001907349,6.89300012588501 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