pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.64999961853027	QSARToolbox	1	0	CN1C[C@@H]2[C@H](C1)[C@]2(C#N)N1CCN([C@]2(C#N)[C@@H]3C[NH+](C)C[C@@H]32)CC1,CN1C[C@@H]2[C@H](C1)[C@]2(C#N)N1CC[NH+]([C@]2(C#N)[C@@H]3CN(C)C[C@@H]32)CC1	CN1C[C@@H]2[C@H](C1)[C@]2(C#N)N1CCN([C@]2(C#N)[C@@H]3CN(C)C[C@@H]32)CC1	mol37820	CN1C[C@@H]2[C@H](C1)[C@]2(C#N)N1CCN([C@]2(C#N)[C@@H]3CN(C)C[C@@H]32)CC1