pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.86	AttenGpKa training set	1	0	C[C@@H]1C[NH+]2CCN1CC2,C[C@@H]1CN2CC[NH+]1CC2	C[C@@H]1CN2CCN1CC2	mol24504	CC1CN2CCN1CC2
3.15	AttenGpKa training set	2	1	C[C@@H]1C[NH+]2CC[NH+]1CC2	C[C@@H]1C[NH+]2CCN1CC2,C[C@@H]1CN2CC[NH+]1CC2	mol24504	CC1CN2CCN1CC2