pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.34	IUPAC digitized pKa	0	-1	C[NH2+]c1ccccc1C(=O)[O-],CNc1ccccc1C(=O)O	CNc1ccccc1C(=O)[O-]	mol5256	CNc1ccccc1C(=O)O
5.30000019073486	QSARToolbox	0	-1	C[NH2+]c1ccccc1C(=O)[O-],CNc1ccccc1C(=O)O	CNc1ccccc1C(=O)[O-]	mol5256	CNc1ccccc1C(=O)O
5.34000015258789	QSARToolbox	0	-1	C[NH2+]c1ccccc1C(=O)[O-],CNc1ccccc1C(=O)O	CNc1ccccc1C(=O)[O-]	mol5256	CNc1ccccc1C(=O)O
1.97	IUPAC digitized pKa	1	0	C[NH2+]c1ccccc1C(=O)O	C[NH2+]c1ccccc1C(=O)[O-],CNc1ccccc1C(=O)O	mol5256	CNc1ccccc1C(=O)O
2.0	IUPAC digitized pKa	1	0	C[NH2+]c1ccccc1C(=O)O	C[NH2+]c1ccccc1C(=O)[O-],CNc1ccccc1C(=O)O	mol5256	CNc1ccccc1C(=O)O