pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Datawarrior	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	mol3233	CCCCCN(CC(C)O)CC(C)O