pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.19	IUPAC digitized pKa	0	-1	CC(=O)N[C@H](Cc1ccc(O)c(I)c1)C(=O)O	CC(=O)N[C@H](Cc1ccc(O)c(I)c1)C(=O)[O-]	mol11645	CC(=O)NC(Cc1ccc(O)c(I)c1)C(=O)O
8.83	IUPAC digitized pKa	-1	-2	CC(=O)N[C@H](Cc1ccc(O)c(I)c1)C(=O)[O-]	CC(=O)N[C@H](Cc1ccc([O-])c(I)c1)C(=O)[O-]	mol11645	CC(=O)NC(Cc1ccc(O)c(I)c1)C(=O)O