pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.536	IUPAC digitized pKa	0	-1	CC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	CC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol11035	CC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
4.47	OCHEM	0	-1	CC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	CC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol11035	CC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O