pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Baltruschat ChEMBL	0	-1	NS(=O)(=O)c1cc2c(s1)[C@@H](O)CCS2	[NH-]S(=O)(=O)c1cc2c(s1)[C@@H](O)CCS2	mol16511	NS(=O)(=O)c1cc2c(s1)C(O)CCS2