pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	Baltruschat ChEMBL	1	0	COc1ccc2c(c1)CC[NH+](CCCNS(=O)(=O)c1ccccc1)C2	COc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1ccccc1)C2	mol20758	COc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1ccccc1)C2