pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.135	IUPAC digitized pKa	0	-1	COc1cccc([NH2+]CC(=O)[O-])c1,COc1cccc(NCC(=O)O)c1	COc1cccc(NCC(=O)[O-])c1	mol5450	COc1cccc(NCC(=O)O)c1
1.68	IUPAC digitized pKa	1	0	COc1cccc([NH2+]CC(=O)O)c1	COc1cccc([NH2+]CC(=O)[O-])c1,COc1cccc(NCC(=O)O)c1	mol5450	COc1cccc(NCC(=O)O)c1