pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.45	IUPAC digitized pKa	1	0	CC(=O)NN=C1CC[NH+](C)CC1	CC(=O)NN=C1CCN(C)CC1	mol5797	CC(=O)NN=C1CCN(C)CC1
7.4499998	OCHEM	1	0	CC(=O)NN=C1CC[NH+](C)CC1	CC(=O)NN=C1CCN(C)CC1	mol5797	CC(=O)NN=C1CCN(C)CC1
7.44999980926514	QSARToolbox	1	0	CC(=O)NN=C1CC[NH+](C)CC1	CC(=O)NN=C1CCN(C)CC1	mol5797	CC(=O)NN=C1CCN(C)CC1