pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.82	IUPAC digitized pKa	0	-1	[NH3+]CC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-]	[NH3+]CC(=O)N[C@@H](C[S-])C(=O)NCC(=O)[O-],NCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-]	mol8534	NCC(=O)N[C@@H](CS)C(=O)NCC(=O)O
9.04	IUPAC digitized pKa	-1	-2	[NH3+]CC(=O)N[C@@H](C[S-])C(=O)NCC(=O)[O-],NCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-]	NCC(=O)N[C@@H](C[S-])C(=O)NCC(=O)[O-]	mol8534	NCC(=O)N[C@@H](CS)C(=O)NCC(=O)O