pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.12	IUPAC digitized pKa	1	0	Cc1ccc[n+](-c2nc(O)nc(O)c2[N+](=O)[O-])c1	Cc1ccc[n+](-c2nc([O-])nc(O)c2[N+](=O)[O-])c1,Cc1ccc[n+](-c2nc(O)nc([O-])c2[N+](=O)[O-])c1	mol7385	Cc1ccc[n+](-c2nc(O)nc(O)c2[N+](=O)[O-])c1