pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	Baltruschat ChEMBL	1	0	COc1ccccc1N1CC[NH+](CCNS(=O)(=O)c2ccc(C)cc2)CC1	COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1	mol20755	COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1