pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Baltruschat ChEMBL	1	0	COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCC[n+]2ccc(/C=N/O)cc2)cc1	COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCC[n+]2ccc(/C=N/[O-])cc2)cc1	mol16176	COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCC[n+]2ccc(/C=N/O)cc2)cc1