pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.1	Datawarrior	2	1	C1CNCC[NH2+]CCCNCC[NH2+]C1	C1CNCCNCCC[NH2+]CCNC1	mol13216	C1CNCCNCCCNCCNC1
11.7799997329712	QSARToolbox	2	1	C1CNCC[NH2+]CCCNCC[NH2+]C1	C1CNCCNCCC[NH2+]CCNC1	mol13216	C1CNCCNCCCNCCNC1
10.5500001907349	QSARToolbox	2	1	C1CNCC[NH2+]CCCNCC[NH2+]C1	C1CNCCNCCC[NH2+]CCNC1	mol13216	C1CNCCNCCCNCCNC1