pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.48999977111816	QSARToolbox	2	1	C1CNCC[NH2+]CCNCCNCC[NH2+]CCN1,C1CNCC[NH2+]CCNCC[NH2+]CCNCCN1	C1CNCCNCC[NH2+]CCNCCNCCN1	mol33782	C1CNCCNCCNCCNCCNCCN1
8.72999954223633	QSARToolbox	2	1	C1CNCC[NH2+]CCNCCNCC[NH2+]CCN1,C1CNCC[NH2+]CCNCC[NH2+]CCNCCN1	C1CNCCNCC[NH2+]CCNCCNCCN1	mol33782	C1CNCCNCCNCCNCCNCCN1
5.86999988555908	QSARToolbox	3	2	C1C[NH2+]CCNCC[NH2+]CCNCC[NH2+]CCN1,C1CNCC[NH2+]CC[NH2+]CCNCC[NH2+]CCN1	C1CNCC[NH2+]CCNCCNCC[NH2+]CCN1,C1CNCC[NH2+]CCNCC[NH2+]CCNCCN1	mol33782	C1CNCCNCCNCCNCCNCCN1