pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	OCHEM	1	0	CCCCC[NH+](C[C@@H](C)O)C[C@@H](C)O	CCCCCN(C[C@@H](C)O)C[C@@H](C)O	mol928	CCCCCN(C[C@@H](C)O)C[C@@H](C)O