pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.01	IUPAC digitized pKa	0	-1	C[C@](CC(=O)O)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O	C[C@](CC(=O)O)(Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-],C[C@](CC(=O)[O-])(Cc1ccc([N+](=O)[O-])cc1)C(=O)O	mol11722	CC(CC(=O)O)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O
6.13	IUPAC digitized pKa	-1	-2	C[C@](CC(=O)O)(Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-],C[C@](CC(=O)[O-])(Cc1ccc([N+](=O)[O-])cc1)C(=O)O	C[C@](CC(=O)[O-])(Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	mol11722	CC(CC(=O)O)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O