pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	IUPAC digitized pKa	0	-1	COC(=O)C[C@@](C)(C(=O)O)c1ccc([N+](=O)[O-])cc1	COC(=O)C[C@@](C)(C(=O)[O-])c1ccc([N+](=O)[O-])cc1	mol11721	COC(=O)CC(C)(C(=O)O)c1ccc([N+](=O)[O-])cc1