pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1999998092651	QSARToolbox	-1	-2	O=C1O[C@H]([C@@H](O)CO)C(ON=Nc2ccc([N+](=O)[O-])cc2)=C1[O-]	O=C1O[C@H]([C@@H]([O-])C[O-])C(ON=Nc2ccc([N+](=O)[O-])cc2)=C1O,O=C1O[C@H]([C@@H]([O-])CO)C(ON=Nc2ccc([N+](=O)[O-])cc2)=C1[O-],O=C1O[C@H]([C@@H](O)C[O-])C(ON=Nc2ccc([N+](=O)[O-])cc2)=C1[O-]	mol37780	O=C1O[C@H]([C@@H](O)CO)C(ON=Nc2ccc([N+](=O)[O-])cc2)=C1O