pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	OCHEM	2	1	CCC(C[NH+](C)C)(C[NH+](C)C)OC(=O)c1ccccc1	CCC(CN(C)C)(C[NH+](C)C)OC(=O)c1ccccc1	mol5154	CCC(CN(C)C)(CN(C)C)OC(=O)c1ccccc1