pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	AttenGpKa training set	0	-1	Cc1c2c(c(O)c3c(O)cccc13)C(=O)O[C@@H]2C	Cc1c2c(c([O-])c3c(O)cccc13)C(=O)O[C@@H]2C,Cc1c2c(c(O)c3c([O-])cccc13)C(=O)O[C@@H]2C	mol30785	Cc1c2c(c(O)c3c(O)cccc13)C(=O)OC2C
10.2	AttenGpKa training set	-1	-2	Cc1c2c(c([O-])c3c(O)cccc13)C(=O)O[C@@H]2C,Cc1c2c(c(O)c3c([O-])cccc13)C(=O)O[C@@H]2C	Cc1c2c(c([O-])c3c([O-])cccc13)C(=O)O[C@@H]2C	mol30785	Cc1c2c(c(O)c3c(O)cccc13)C(=O)OC2C