pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.71	IUPAC digitized pKa	1	0	Cc1cccc([N+](=O)[O-])c1[NH3+]	Cc1cccc([N+](=O)[O-])c1N	mol2541	Cc1cccc([N+](=O)[O-])c1N
-0.709999978542328	QSARToolbox	1	0	Cc1cccc([N+](=O)[O-])c1[NH3+]	Cc1cccc([N+](=O)[O-])c1N	mol2541	Cc1cccc([N+](=O)[O-])c1N
-0.69	AttenGpKa training set	1	0	Cc1cccc([N+](=O)[O-])c1[NH3+]	Cc1cccc([N+](=O)[O-])c1N	mol2541	Cc1cccc([N+](=O)[O-])c1N