pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.64	Baltruschat ChEMBL	0	-1	O=C1O[C@H]([C@@H](O)CO)C(OCCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])=C1O	O=C1O[C@H]([C@@H](O)CO)C(OCCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])=C1[O-]	mol20469	O=C1OC(C(O)CO)C(OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])=C1O