pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.19	Baltruschat ChEMBL	0	-1	O=C1O[C@H]([C@H](O)CO)C(O)=C1OCCCO[N+](=O)[O-]	O=C1O[C@H]([C@H](O)CO)C([O-])=C1OCCCO[N+](=O)[O-]	mol20465	O=C1OC(C(O)CO)C(O)=C1OCCCO[N+](=O)[O-]