pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.04	IUPAC digitized pKa	0	-1	C[NH2+]c1ccc(C(=O)[O-])cc1,CNc1ccc(C(=O)O)cc1	CNc1ccc(C(=O)[O-])cc1	mol5264	CNc1ccc(C(=O)O)cc1
5.03999996185303	QSARToolbox	0	-1	C[NH2+]c1ccc(C(=O)[O-])cc1,CNc1ccc(C(=O)O)cc1	CNc1ccc(C(=O)[O-])cc1	mol5264	CNc1ccc(C(=O)O)cc1
2.22	IUPAC digitized pKa	1	0	C[NH2+]c1ccc(C(=O)O)cc1	C[NH2+]c1ccc(C(=O)[O-])cc1,CNc1ccc(C(=O)O)cc1	mol5264	CNc1ccc(C(=O)O)cc1