"3" . "0.86" . "-4.5" . "138.2" . "0.13" . "47.31" . "406.911" . "ChemAxon" . "0" . "ALOGPS" . "111.48" . "InChIKey=JHWQMXKQJVAWKI-VIFPVBQESA-N" . "46.01" . "C18H22N2O" . "126.63" . "-5.9" .