pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.97	Datawarrior	2	1	[NH3+]CCC[n+]1ccc2ccccc2c1	NCCC[n+]1ccc2ccccc2c1	mol13377	NCCC[n+]1ccc2ccccc2c1
8.9700003	OCHEM	2	1	[NH3+]CCC[n+]1ccc2ccccc2c1	NCCC[n+]1ccc2ccccc2c1	mol13377	NCCC[n+]1ccc2ccccc2c1
8.97000026702881	QSARToolbox	2	1	[NH3+]CCC[n+]1ccc2ccccc2c1	NCCC[n+]1ccc2ccccc2c1	mol13377	NCCC[n+]1ccc2ccccc2c1