pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.15	IUPAC digitized pKa	1	0	CC[NH2+]c1cc(C(=O)O)c([NH2+]CC)cc1C(=O)[O-],CCNc1cc(C(=O)O)c([NH2+]CC)cc1C(=O)O	CCNc1cc(C(=O)O)c([NH2+]CC)cc1C(=O)[O-],CCNc1cc(C(=O)[O-])c([NH2+]CC)cc1C(=O)O	mol6022	CCNc1cc(C(=O)O)c(NCC)cc1C(=O)O
7.0	IUPAC digitized pKa	-1	-2	CCNc1cc(C(=O)[O-])c([NH2+]CC)cc1C(=O)[O-],CCNc1cc(C(=O)O)c(NCC)cc1C(=O)[O-]	CCNc1cc(C(=O)[O-])c(NCC)cc1C(=O)[O-]	mol6022	CCNc1cc(C(=O)O)c(NCC)cc1C(=O)O