pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.6	Baltruschat ChEMBL	1	0	[NH3+][C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O	N[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O	mol16981	NC1OCC(O)C(O)C1O