"2" . "400.93" . "C18H23N6O2" . "5.86e+02 g/l" . "ALOGPS" . "0" . "2.79" . "-3.9" . "376.060330885" . "1'-deazo-thiamin diphosphate" . "1.19e-03 g/l" . "26.66" . "177.14" . "ChemAxon" . "5.39e-02 g/l" . "1" . "[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1" . "-4.5" .