pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	Baltruschat ChEMBL	0	-1	CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1	CCC(CC)[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)s1	mol20640	CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1