pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.34	Baltruschat ChEMBL	0	-1	NS(=O)(=O)c1cc2c(s1)[C@@H](O)CCS2(=O)=O	[NH-]S(=O)(=O)c1cc2c(s1)[C@@H](O)CCS2(=O)=O	mol16504	NS(=O)(=O)c1cc2c(s1)C(O)CCS2(=O)=O