diff options
Diffstat (limited to 'cv/data/csv/RAT_constitutional.csv')
| -rw-r--r-- | cv/data/csv/RAT_constitutional.csv | 1024 |
1 files changed, 512 insertions, 512 deletions
diff --git a/cv/data/csv/RAT_constitutional.csv b/cv/data/csv/RAT_constitutional.csv index bab7f59..064f53e 100644 --- a/cv/data/csv/RAT_constitutional.csv +++ b/cv/data/csv/RAT_constitutional.csv @@ -1,512 +1,512 @@ -SMILES,nB,nAtom,nAtomLC,nAromBond,ALogP,ALogp2,LipinskiFailures,nAtomLAC,nAtomP,nRotB,MLogP,nHBDon,XLogP,naAromAtom,AMR -InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,11.0,18.0,0.0,11.0,1.94780004024506,3.7939248085022,0.0,0.0,10.0,0.0,2.55999994277954,0.0,3.22399997711182,10.0,49.1528015136719 -InChI%3D1S%2FC9H7N3O4S%2Fc1-5%2813%2910-9-11-6%284-17-9%297-2-3-8%2816-7%2912%2814%2915%2Fh2-4H%2C1H3%2C%28H%2C10%2C11%2C13%29,18.0,24.0,4.0,10.0,0.318199992179871,0.101251237094402,0.0,2.0,16.0,3.0,1.57000005245209,1.0,1.75300002098083,10.0,26.1991996765137 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