pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.85	IUPAC digitized pKa	0	-1	Cc1ccc([NH2+]CC(=O)[O-])cc1	Cc1ccc(NCC(=O)[O-])cc1	mol5453	Cc1ccc(NCC(=O)O)cc1
1.97	IUPAC digitized pKa	1	0	Cc1ccc([NH2+]CC(=O)O)cc1	Cc1ccc([NH2+]CC(=O)[O-])cc1	mol5453	Cc1ccc(NCC(=O)O)cc1