pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.85	AttenGpKa training set	0	-1	O=C(O)[C@@H]1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1	O=C([O-])[C@@H]1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1	mol27333	O=C(O)C1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1
8.76	AttenGpKa training set	-1	-2	O=C([O-])[C@@H]1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1	O=C([O-])[C@@H]1C(=O)[N-]C(=O)C1(c1ccccc1)c1ccccc1	mol27333	O=C(O)C1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1