pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.72	AttenGpKa training set	0	-1	O=C(O)[C@H]1C[C@@]1(C(=O)O)c1ccccc1	O=C(O)[C@H]1C[C@@]1(C(=O)[O-])c1ccccc1,O=C([O-])[C@H]1C[C@@]1(C(=O)O)c1ccccc1	mol22605	O=C(O)[C@H]1C[C@@]1(C(=O)O)c1ccccc1
5.14	AttenGpKa training set	-1	-2	O=C(O)[C@H]1C[C@@]1(C(=O)[O-])c1ccccc1,O=C([O-])[C@H]1C[C@@]1(C(=O)O)c1ccccc1	O=C([O-])[C@H]1C[C@@]1(C(=O)[O-])c1ccccc1	mol22605	O=C(O)[C@H]1C[C@@]1(C(=O)O)c1ccccc1