pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.79	Datawarrior	1	0	NC1CC[NH+](Cc2ccccc2)CC1,[NH3+]C1CCN(Cc2ccccc2)CC1	NC1CCN(Cc2ccccc2)CC1	mol13375	NC1CCN(Cc2ccccc2)CC1
7.05	Datawarrior	2	1	[NH3+]C1CC[NH+](Cc2ccccc2)CC1	NC1CC[NH+](Cc2ccccc2)CC1,[NH3+]C1CCN(Cc2ccccc2)CC1	mol13375	NC1CCN(Cc2ccccc2)CC1
7.05000019073486	QSARToolbox	2	1	[NH3+]C1CC[NH+](Cc2ccccc2)CC1	NC1CC[NH+](Cc2ccccc2)CC1,[NH3+]C1CCN(Cc2ccccc2)CC1	mol13375	NC1CCN(Cc2ccccc2)CC1