diff options
Diffstat (limited to 'cv/data/csv/MOU_electronic_cpsa.csv')
| -rw-r--r-- | cv/data/csv/MOU_electronic_cpsa.csv | 804 |
1 files changed, 402 insertions, 402 deletions
diff --git a/cv/data/csv/MOU_electronic_cpsa.csv b/cv/data/csv/MOU_electronic_cpsa.csv index 5db62a3..b088225 100644 --- a/cv/data/csv/MOU_electronic_cpsa.csv +++ b/cv/data/csv/MOU_electronic_cpsa.csv @@ -1,402 +1,402 @@ -SMILES,PPSA-2,PNSA-2,WNSA-1,TPSA,DPSA-1,FNSA-3,DPSA-2,PPSA-3,PNSA-3,WNSA-2,FPSA-1,DPSA-3,THSA,WNSA-3,FPSA-2,FPSA-3,apol,RNCG,WPSA-1,bpol,WPSA-2,RPSA,nHBAcc,RNCS,RPCG,WPSA-3,RHSA,RPCS,FNSA-1,nHBDon,FNSA-2,PPSA-1,PNSA-1 -InChI%3D1S%2FC4H5Cl%2Fc1-3-4%282%295%2Fh3H%2C1-2H2,63.6963081359863,-59.5369720458984,60.9271049499512,0.0,11.9859285354614,-0.0443260036408901,123.233283996582,10.4660749435425,-15.74107837677,-21.1428070068359,0.516875863075256,26.2071533203125,355.120635986328,-5.58998155593872,0.179365277290344,0.0294718872755766,12.5539646148682,0.377663969993591,65.1835556030273,5.88603496551514,22.619873046875,0.0,0.0,24.2228965759277,0.187073335051537,3.71671915054321,1.0,3.2416455745697,0.483124136924744,0.0,-0.167652815580368,183.553283691406,171.567352294922 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