pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.28	IUPAC digitized pKa	0	-1	C[C@@](CC(=O)O)(C(=O)O)c1ccc([N+](=O)[O-])cc1	C[C@@](CC(=O)O)(C(=O)[O-])c1ccc([N+](=O)[O-])cc1,C[C@@](CC(=O)[O-])(C(=O)O)c1ccc([N+](=O)[O-])cc1	mol11575	CC(CC(=O)O)(C(=O)O)c1ccc([N+](=O)[O-])cc1
5.91	IUPAC digitized pKa	-1	-2	C[C@@](CC(=O)O)(C(=O)[O-])c1ccc([N+](=O)[O-])cc1,C[C@@](CC(=O)[O-])(C(=O)O)c1ccc([N+](=O)[O-])cc1	C[C@@](CC(=O)[O-])(C(=O)[O-])c1ccc([N+](=O)[O-])cc1	mol11575	CC(CC(=O)O)(C(=O)O)c1ccc([N+](=O)[O-])cc1