pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.67	IUPAC digitized pKa	1	0	[NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O	N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O	mol5536	N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
7.47	IUPAC digitized pKa	1	0	[NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O	N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O	mol5536	N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
7.48000001907349	QSARToolbox	1	0	[NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O	N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O	mol5536	N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O