pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.36	Datawarrior	2	1	[NH3+][C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1[NH3+]	N[C@H]1C[C@H]2CCCC[C@@H]2C[C@H]1[NH3+]	mol12778	N[C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1N
6.3600001335144	QSARToolbox	2	1	[NH3+][C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1[NH3+]	N[C@H]1C[C@H]2CCCC[C@@H]2C[C@H]1[NH3+]	mol12778	N[C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1N