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 2108dff..3509a23 100644 --- a/cv/data/csv/FHM_topological.csv +++ b/cv/data/csv/FHM_topological.csv @@ -1,536 +1,536 @@ -SMILES,C1SP2,ATSp1,khs.dsCH,ATSp2,MDEC-22,khs.sCl,MDEC-12,ECCEN,MDEC-23,ATSc1,C2SP2,ATSm1,ATSc2,TopoPSA,VPC-4,C2SP3,ATSp5,Kier2,VP-0,ATSc3,ATSm2,VPC-5,khs.aasC,VP-1,ATSc4,Kier3,ATSm4,khs.sssN,ATSm5,fragC -InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,0.0,847.81689453125,0.0,948.015991210938,2.38110160827637,,3.06523776054382,119.0,6.5518536567688,0.015455124899745,4.0,13.3599882125854,-0.00742755923420191,26.0200004577637,1.39779186248779,0.0,890.813903808594,4.48148155212402,8.96410179138184,0.00429212581366301,13.1661853790283,1.62147402763367,3.0,4.91944360733032,-0.00341051910072565,2.47933888435364,19.6647415161133,0.0,16.8309268951416,868.010009765625 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