diff options
Diffstat (limited to 'cv/data/csv/LOAEL_electronic_cpsa.csv')
| -rw-r--r-- | cv/data/csv/LOAEL_electronic_cpsa.csv | 880 |
1 files changed, 440 insertions, 440 deletions
diff --git a/cv/data/csv/LOAEL_electronic_cpsa.csv b/cv/data/csv/LOAEL_electronic_cpsa.csv index c2c289e..e722c04 100644 --- a/cv/data/csv/LOAEL_electronic_cpsa.csv +++ b/cv/data/csv/LOAEL_electronic_cpsa.csv @@ -1,440 +1,440 @@ -SMILES,apol,FNSA-1,bpol,THSA,RPSA,RNCS,FNSA-3,RPCG,PPSA-3,RPCS,FPSA-1,RHSA,FPSA-3 -InChI%3D1S%2FC13H12BrCl2N3O%2Fc14-9-4-13%2820-5-9%2C6-19-8-17-7-18-19%2911-2-1-10%2815%293-12%2811%2916%2Fh1-3%2C7-9H%2C4-6H2,45.0606880187988,0.417845398187637,23.5173110961914,572.718566894531,0.0710388123989105,0.580274045467377,-0.0600036755204201,0.0881587639451027,23.5298748016357,1.93660056591034,0.58215457201004,0.928961157798767,0.0381659343838692 -InChI%3D1S%2FC12H14N2%2Fc1-13-7-3-11%284-8-13%2912-5-9-14%282%2910-6-12%2Fh3-10H%2C1-2H3,37.989444732666,0.202889755368233,28.0105533599854,533.868041992188,0.0272613354027271,3.04336333274841,-0.0109682083129883,0.0509170144796371,15.9364652633667,1.07006919384003,0.797110259532928,0.972738683223724,0.0290371682494879 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