pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.93000030517578	QSARToolbox	0	-1	O=C([O-])CCC[NH2+]C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	O=C([O-])CCCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O	mol37302	O=C(O)CCCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O