pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	IUPAC digitized pKa	0	-1	N#CCCSC[C@H]([NH3+])C(=O)[O-]	N#CCCSC[C@H](N)C(=O)[O-]	mol8516	N#CCCSC[C@H](N)C(=O)O
8.60000038146973	QSARToolbox	0	-1	N#CCCSC[C@H]([NH3+])C(=O)[O-]	N#CCCSC[C@H](N)C(=O)[O-]	mol8516	N#CCCSC[C@H](N)C(=O)O