pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	OCHEM	1	0	[NH3+]CCS(=O)(=O)c1ccccc1	NCCS(=O)(=O)c1ccccc1	mol244	NCCS(=O)(=O)c1ccccc1
8.5	AttenGpKa training set	1	0	[NH3+]CCS(=O)(=O)c1ccccc1	NCCS(=O)(=O)c1ccccc1	mol244	NCCS(=O)(=O)c1ccccc1