pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.78	Datawarrior	1	0	C[NH+]1CCN(C(=O)c2ccccc2)CC1	CN1CCN(C(=O)c2ccccc2)CC1	mol1332	CN1CCN(C(=O)c2ccccc2)CC1
6.7800002	OCHEM	1	0	C[NH+]1CCN(C(=O)c2ccccc2)CC1	CN1CCN(C(=O)c2ccccc2)CC1	mol1332	CN1CCN(C(=O)c2ccccc2)CC1