pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	AttenGpKa training set	0	-1	CC1(C)CC(=O)C(NC(=O)c2ccccc2)=C(O)C1	CC1(C)CC(=O)C(NC(=O)c2ccccc2)=C([O-])C1	mol27047	CC1(C)CC(=O)C(NC(=O)c2ccccc2)=C(O)C1