pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.93	IUPAC digitized pKa	0	-1	CC(=O)c1cccc([NH2+]CC(=O)[O-])c1,CC(=O)c1cccc(NCC(=O)O)c1	CC(=O)c1cccc(NCC(=O)[O-])c1	mol5446	CC(=O)c1cccc(NCC(=O)O)c1
1.14	IUPAC digitized pKa	1	0	CC(=O)c1cccc([NH2+]CC(=O)O)c1	CC(=O)c1cccc([NH2+]CC(=O)[O-])c1,CC(=O)c1cccc(NCC(=O)O)c1	mol5446	CC(=O)c1cccc(NCC(=O)O)c1