"32.67" . "172.063662888" . "1" . "302.782" . "-1.7" . "-4.2" . "compound 18" . "338.0515166" . "ALOGPS" . "C13H20N2O5S" . "6" . "3" . "7.43" . "42" . "-1" . "2" . "-1.3" . "249.040223633" . "ChemAxon" .