pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	SAMPL8	0	-1	CS(=O)(=O)c1ccc(CCC(=O)O)cc1	CS(=O)(=O)c1ccc(CCC(=O)[O-])cc1	SAMPL8-2	CS(=O)(=O)c1ccc(CCC(=O)O)cc1