pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.96	IUPAC digitized pKa	0	-1	[NH3+][C@@H](Cc1ccc(Cl)cc1)C(=O)[O-]	N[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-]	mol5430	N[C@@H](Cc1ccc(Cl)cc1)C(=O)O
2.08	IUPAC digitized pKa	1	0	[NH3+][C@@H](Cc1ccc(Cl)cc1)C(=O)O	[NH3+][C@@H](Cc1ccc(Cl)cc1)C(=O)[O-]	mol5430	N[C@@H](Cc1ccc(Cl)cc1)C(=O)O