pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	AttenGpKa training set	0	-1	COC(=O)[C@@H](Cc1ccccc1)NCC(=O)c1ccc(O)cc1	COC(=O)[C@@H](Cc1ccccc1)NCC(=O)c1ccc([O-])cc1	mol30921	COC(=O)C(Cc1ccccc1)NCC(=O)c1ccc(O)cc1
7.1	AttenGpKa training set	0	-1	COC(=O)[C@@H](Cc1ccccc1)NCC(=O)c1ccc(O)cc1	COC(=O)[C@@H](Cc1ccccc1)NCC(=O)c1ccc([O-])cc1	mol30921	COC(=O)C(Cc1ccccc1)NCC(=O)c1ccc(O)cc1