diff options
Diffstat (limited to 'cv/data/csv/RAT_electronic_cpsa.csv')
| -rw-r--r-- | cv/data/csv/RAT_electronic_cpsa.csv | 1024 |
1 files changed, 512 insertions, 512 deletions
diff --git a/cv/data/csv/RAT_electronic_cpsa.csv b/cv/data/csv/RAT_electronic_cpsa.csv index c517f45..d89ceb9 100644 --- a/cv/data/csv/RAT_electronic_cpsa.csv +++ b/cv/data/csv/RAT_electronic_cpsa.csv @@ -1,512 +1,512 @@ -SMILES,apol,RNCS,RPSA,RPCG,RPCS,nHBAcc,THSA,RHSA,FNSA-1,PPSA-1,PNSA-1,FNSA-2,FNSA-3,DPSA-1,FPSA-1,DPSA-2,WNSA-1,PNSA-3,FPSA-2,FPSA-3,WNSA-3,RNCG,bpol -InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,64.6894836425781,1.98461592197418,0.14626944065094,0.0862621292471886,2.4998664855957,4.0,880.172668457031,0.85373055934906,0.467279702425003,549.219970703125,481.752502441406,-1.18890190124512,-0.0641302019357681,67.4674758911133,0.532720327377319,2623.10791015625,496.673553466797,-66.1164703369141,1.35540270805359,0.0420936718583107,-68.1642608642578,0.140498638153076,25.6525192260742 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