pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.4	Jensen	1	0	NC(N)=[NH+]CCN1CCCCCCC1	NC(N)=NCCN1CCCCCCC1	mol2588	NC(N)=NCCN1CCCCCCC1
11.9	AttenGpKa training set	1	0	NC(N)=[NH+]CCN1CCCCCCC1	NC(N)=NCCN1CCCCCCC1	mol2588	NC(N)=NCCN1CCCCCCC1