pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.57	AttenGpKa training set	-1	-2	O=[S@@]([O-])c1cc(O)ccc1O	O=[S@@]([O-])c1cc([O-])ccc1O,O=[S@@]([O-])c1cc(O)ccc1[O-]	mol30590	O=S(O)c1cc(O)ccc1O
11.9	AttenGpKa training set	-2	-3	O=[S@@]([O-])c1cc([O-])ccc1O,O=[S@@]([O-])c1cc(O)ccc1[O-]	O=[S@@]([O-])c1cc([O-])ccc1[O-]	mol30590	O=S(O)c1cc(O)ccc1O