pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.37	IUPAC digitized pKa	0	-1	[NH3+]c1cc(C(=O)[O-])ccn1,Nc1cc(C(=O)[O-])cc[nH+]1	Nc1cc(C(=O)[O-])ccn1	mol6353	Nc1cc(C(=O)O)ccn1
1.95	IUPAC digitized pKa	1	0	[NH3+]c1cc(C(=O)O)ccn1,Nc1cc(C(=O)O)cc[nH+]1	[NH3+]c1cc(C(=O)[O-])ccn1,Nc1cc(C(=O)[O-])cc[nH+]1	mol6353	Nc1cc(C(=O)O)ccn1