pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.84000015258789	QSARToolbox	0	-1	O=C([O-])CC[NH2+]C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	O=C([O-])CCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	mol37301	O=C(O)CCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O