pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Datawarrior	1	0	CCCC[NH+](C[C@@H](C)O)C[C@@H](C)O	CCCCN(C[C@@H](C)O)C[C@@H](C)O	mol3213	CCCCN(CC(C)O)CC(C)O
9.3000002	OCHEM	1	0	CCCC[NH+](C[C@@H](C)O)C[C@@H](C)O	CCCCN(C[C@@H](C)O)C[C@@H](C)O	mol3213	CCCCN(CC(C)O)CC(C)O