pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	OCHEM	1	0	CCCC[C@@H](CC)CO[NH+](C[C@@H](C)O)C[C@@H](C)O	CCCC[C@@H](CC)CON(C[C@@H](C)O)C[C@@H](C)O	mol940	CCCC[C@@H](CC)CON(C[C@@H](C)O)C[C@@H](C)O