pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.87	IUPAC digitized pKa	0	-1	[NH3+][C@@H](CCS)C(=O)[O-]	N[C@@H](CCS)C(=O)[O-],[NH3+][C@@H](CC[S-])C(=O)[O-]	mol653	N[C@@H](CCS)C(=O)O
8.7	OCHEM	0	-1	[NH3+][C@@H](CCS)C(=O)[O-]	N[C@@H](CCS)C(=O)[O-],[NH3+][C@@H](CC[S-])C(=O)[O-]	mol653	N[C@@H](CCS)C(=O)O
2.222	IUPAC digitized pKa	1	0	[NH3+][C@@H](CCS)C(=O)O	[NH3+][C@@H](CCS)C(=O)[O-]	mol653	N[C@@H](CCS)C(=O)O
10.86	IUPAC digitized pKa	-1	-2	N[C@@H](CCS)C(=O)[O-],[NH3+][C@@H](CC[S-])C(=O)[O-]	N[C@@H](CC[S-])C(=O)[O-]	mol653	N[C@@H](CCS)C(=O)O