pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	Datawarrior	1	0	CCCCCCCCCC[NH+](C[C@H](C)O)C[C@H](C)O	CCCCCCCCCCN(C[C@H](C)O)C[C@H](C)O	mol3258	CCCCCCCCCCN(CC(C)O)CC(C)O
7.5999999	OCHEM	1	0	CCCCCCCCCC[NH+](C[C@H](C)O)C[C@H](C)O	CCCCCCCCCCN(C[C@H](C)O)C[C@H](C)O	mol3258	CCCCCCCCCCN(CC(C)O)CC(C)O