"112.58" . "ChemAxon" . "InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4+,5-,6-/m0/s1" . "C15H12BrNO3" . "95.86" . "3" . "14.68" . "2" . "-3.8" . "4" . "1" . "InChIKey=JWJOTENAMICLJG-QWBYCMEYSA-N" . "-1" . "CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O" . "0" . "135.44" . "311.36" . "46.17" . "ALOGPS" . "InChI=1S/C3H6NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)/t2-/m0/s1" .