pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.0	AttenGpKa training set	1	0	CN(C)C(=[NH2+])CCN,CN(C)C(=N)CC[NH3+]	CN(C)C(=N)CCN	mol28006	CN(C)C(=N)CCN
7.48000001907349	QSARToolbox	2	1	CN(C)C(=[NH2+])CC[NH3+]	CN(C)C(=[NH2+])CCN,CN(C)C(=N)CC[NH3+]	mol28006	CN(C)C(=N)CCN
7.48	AttenGpKa training set	2	1	CN(C)C(=[NH2+])CC[NH3+]	CN(C)C(=[NH2+])CCN,CN(C)C(=N)CC[NH3+]	mol28006	CN(C)C(=N)CCN