"1" . "9.37" . "138.031694058" . "2" . "3" . "N-acetylalanine" . "32.53" . "-0.67" . "InChIKey=OGQICQVSFDPSEI-UHFFFAOYSA-N" . "30.72" . "ALOGPS" . "InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)" . "0" . "ChemAxon" . "InChI=1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1" . "82.86" .