pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.75	Datawarrior	2	1	[NH3+][C@H]1CCCC[C@@H]1[NH3+]	N[C@H]1CCCC[C@@H]1[NH3+]	mol12359	N[C@H]1CCCC[C@@H]1N
6.71	Datawarrior	2	1	[NH3+][C@H]1CCCC[C@@H]1[NH3+]	N[C@H]1CCCC[C@@H]1[NH3+]	mol12359	N[C@H]1CCCC[C@@H]1N
9.69999980926514	QSARToolbox	2	1	[NH3+][C@H]1CCCC[C@@H]1[NH3+]	N[C@H]1CCCC[C@@H]1[NH3+]	mol12359	N[C@H]1CCCC[C@@H]1N