pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.84	Baltruschat ChEMBL	1	0	COc1ccc(NC(=O)[C@@H]2CN(C)C(=O)C2=[OH+])cc1,COc1ccc(NC(=O)[C@@H]2CN(C)C(=[OH+])C2=O)cc1	COc1ccc(NC(=O)[C@@H]2CN(C)C(=O)C2=O)cc1	mol16999	COc1ccc(NC(=O)C2CN(C)C(=O)C2=O)cc1