pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.24	AttenGpKa training set	0	-1	C[C@@H]1C(=O)C[C@@H](Cc2ccc(Br)cc2)C1=O	C[C-]1C(=O)C[C@@H](Cc2ccc(Br)cc2)C1=O	mol27074	CC1C(=O)CC(Cc2ccc(Br)cc2)C1=O