"0" . "3.74" . "ALOGPS" . "99.33" . "-0.33" . "6.13" . "-2.9" . "11" . "3" . "584.6525" . "ChemAxon" . "39.24" . "506.097" . "12" . "2" . "4" . "1" . "82.6" . "73.91" .