pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.64	AttenGpKa training set	0	-1	C=COc1ccc(NC(=O)CCC(=O)O)cc1	C=COc1ccc(NC(=O)CCC(=O)[O-])cc1	mol29452	C=COc1ccc(NC(=O)CCC(=O)O)cc1