pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	IUPAC digitized pKa	1	0	C[NH+]1CCC(NN)CC1,CN1CCC([NH2+]N)CC1,CN1CCC(N[NH3+])CC1	CN1CCC(NN)CC1	mol5811	CN1CCC(NN)CC1
8.8500004	OCHEM	1	0	C[NH+]1CCC(NN)CC1,CN1CCC([NH2+]N)CC1,CN1CCC(N[NH3+])CC1	CN1CCC(NN)CC1	mol5811	CN1CCC(NN)CC1
5.7	IUPAC digitized pKa	2	1	C[NH+]1CCC(N[NH3+])CC1,C[NH+]1CCC([NH2+]N)CC1,CN1CCC([NH2+][NH3+])CC1	C[NH+]1CCC(NN)CC1,CN1CCC([NH2+]N)CC1,CN1CCC(N[NH3+])CC1	mol5811	CN1CCC(NN)CC1
5.69999980926514	QSARToolbox	2	1	C[NH+]1CCC(N[NH3+])CC1,C[NH+]1CCC([NH2+]N)CC1,CN1CCC([NH2+][NH3+])CC1	C[NH+]1CCC(NN)CC1,CN1CCC([NH2+]N)CC1,CN1CCC(N[NH3+])CC1	mol5811	CN1CCC(NN)CC1