pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.78	IUPAC digitized pKa	0	-1	Cc1cc([N+](=O)[O-])c(C)c(C(=O)O)c1O	Cc1cc([N+](=O)[O-])c(C)c(C(=O)[O-])c1O	mol10994	Cc1cc([N+](=O)[O-])c(C)c(C(=O)O)c1O
2.77999997138977	QSARToolbox	0	-1	Cc1cc([N+](=O)[O-])c(C)c(C(=O)O)c1O	Cc1cc([N+](=O)[O-])c(C)c(C(=O)[O-])c1O	mol10994	Cc1cc([N+](=O)[O-])c(C)c(C(=O)O)c1O
8.54	IUPAC digitized pKa	-1	-2	Cc1cc([N+](=O)[O-])c(C)c(C(=O)[O-])c1O	Cc1cc([N+](=O)[O-])c(C)c(C(=O)[O-])c1[O-]	mol10994	Cc1cc([N+](=O)[O-])c(C)c(C(=O)O)c1O
8.53999996185303	QSARToolbox	-1	-2	Cc1cc([N+](=O)[O-])c(C)c(C(=O)[O-])c1O	Cc1cc([N+](=O)[O-])c(C)c(C(=O)[O-])c1[O-]	mol10994	Cc1cc([N+](=O)[O-])c(C)c(C(=O)O)c1O