pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.82	OCHEM	1	0	CCCCCCCCCCCC[N+](C)(C)CC(=O)O	CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]	mol31895	CCCCCCCCCCCC[N+](C)(C)CC(=O)O
1.82000005245209	QSARToolbox	1	0	CCCCCCCCCCCC[N+](C)(C)CC(=O)O	CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]	mol31895	CCCCCCCCCCCC[N+](C)(C)CC(=O)O