diff options
Diffstat (limited to 'cv/data/csv/FHM_topological.csv')
| -rw-r--r-- | cv/data/csv/FHM_topological.csv | 1072 |
1 files changed, 536 insertions, 536 deletions
diff --git a/cv/data/csv/FHM_topological.csv b/cv/data/csv/FHM_topological.csv index 3509a23..072142b 100644 --- a/cv/data/csv/FHM_topological.csv +++ b/cv/data/csv/FHM_topological.csv @@ -1,536 +1,536 @@ -SMILES,khs.aasC,MDEC-23,ATSp1,TopoPSA,Kier2,VP-0,Kier3,C1SP2,ECCEN,ATSc1,C2SP2,khs.sCl,ATSm1,fragC,ATSc2,khs.sssN,ATSc3,ATSm2,ATSc4,ATSm4,khs.dsCH,ATSm5 -InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,3.0,6.5518536567688,847.81689453125,26.0200004577637,4.48148155212402,8.96410179138184,2.47933888435364,0.0,119.0,0.015455124899745,4.0,,13.3599882125854,868.010009765625,-0.00742755923420191,0.0,0.00429212581366301,13.1661853790283,-0.00341051910072565,19.6647415161133,0.0,16.8309268951416 -InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,0.0,8.59655952453613,575.871765136719,0.0,2.93877553939819,5.61880207061768,1.38271605968475,0.0,90.0,0.0,8.0,0.0,10.0,271.0,0.0,0.0,0.0,11.0,0.0,12.0,0.0,6.0 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