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 9300a1b..ee42f1a 100644 --- a/cv/data/csv/FHM_topological.csv +++ b/cv/data/csv/FHM_topological.csv @@ -1,536 +1,536 @@ -SMILES,khs.dsCH,MDEC-23,ATSc1,ATSm1,TopoPSA,ATSc2,VP-0,ATSc3,ATSm2,Kier3,ATSm5,fragC -InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,0.0,6.5518536567688,0.015455124899745,13.3599882125854,26.0200004577637,-0.00742755923420191,8.96410179138184,0.00429212581366301,13.1661853790283,2.47933888435364,16.8309268951416,868.010009765625 -InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,0.0,8.59655952453613,0.0,10.0,0.0,0.0,5.61880207061768,0.0,11.0,1.38271605968475,6.0,271.0 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