pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.82000017166138	QSARToolbox	1	0	[NH3+][C@@H]1[C@@H]2OC[C@H](C[C@@H]1O)O2	N[C@@H]1[C@@H]2OC[C@H](C[C@@H]1O)O2	mol35496	N[C@@H]1[C@@H]2OC[C@H](C[C@@H]1O)O2
