pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	AttenGpKa training set	-1	-2	CCCCCCCCc1cc(O)c([S@](=O)[O-])cc1O	CCCCCCCCc1cc([O-])c([S@](=O)[O-])cc1O,CCCCCCCCc1cc(O)c([S@](=O)[O-])cc1[O-]	mol30882	CCCCCCCCc1cc(O)c(S(=O)O)cc1O
11.8	AttenGpKa training set	-2	-3	CCCCCCCCc1cc([O-])c([S@](=O)[O-])cc1O,CCCCCCCCc1cc(O)c([S@](=O)[O-])cc1[O-]	CCCCCCCCc1cc([O-])c([S@](=O)[O-])cc1[O-]	mol30882	CCCCCCCCc1cc(O)c(S(=O)O)cc1O