pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.95	AttenGpKa training set	0	-1	C[C@]1(C(=O)O)C[C@@]1(Cl)C(=O)O	C[C@]1(C(=O)[O-])C[C@@]1(Cl)C(=O)O,C[C@]1(C(=O)O)C[C@@]1(Cl)C(=O)[O-]	mol22573	C[C@]1(C(=O)O)C[C@@]1(Cl)C(=O)O
5.25	AttenGpKa training set	-1	-2	C[C@]1(C(=O)[O-])C[C@@]1(Cl)C(=O)O,C[C@]1(C(=O)O)C[C@@]1(Cl)C(=O)[O-]	C[C@]1(C(=O)[O-])C[C@@]1(Cl)C(=O)[O-]	mol22573	C[C@]1(C(=O)O)C[C@@]1(Cl)C(=O)O