pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.51	IUPAC digitized pKa	0	-1	O=C(O)C[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1	O=C(O)C[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1,O=C([O-])C[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1	mol11340	O=C(O)CC(C(=O)O)c1ccc([N+](=O)[O-])cc1
5.08	IUPAC digitized pKa	-1	-2	O=C(O)C[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1,O=C([O-])C[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1	O=C([O-])C[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	mol11340	O=C(O)CC(C(=O)O)c1ccc([N+](=O)[O-])cc1