pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.42	IUPAC digitized pKa	1	0	Cc1[nH+]cnc2c1N(C=O)CCN2,Cc1nc[nH+]c2c1N(C=O)CCN2,Cc1ncnc2c1N(C=O)CC[NH2+]2	Cc1ncnc2c1N(C=O)CCN2	mol4809	Cc1ncnc2c1N(C=O)CCN2
5.44999980926514	QSARToolbox	1	0	Cc1[nH+]cnc2c1N(C=O)CCN2,Cc1nc[nH+]c2c1N(C=O)CCN2,Cc1ncnc2c1N(C=O)CC[NH2+]2	Cc1ncnc2c1N(C=O)CCN2	mol4809	Cc1ncnc2c1N(C=O)CCN2