pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	AttenGpKa training set	0	-1	Cc1c(O)cc(C(C)C)c(O)c1O	Cc1c(O)cc(C(C)C)c([O-])c1O,Cc1c([O-])cc(C(C)C)c(O)c1O,Cc1c(O)cc(C(C)C)c(O)c1[O-]	mol30617	Cc1c(O)cc(C(C)C)c(O)c1O