pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.73	Datawarrior	1	0	C1CC[NH+](C2CCNCC2)CC1,C1CCN(C2CC[NH2+]CC2)CC1	C1CCN(C2CCNCC2)CC1	mol12774	C1CCN(C2CCNCC2)CC1
7.97	Datawarrior	2	1	C1CC[NH+](C2CC[NH2+]CC2)CC1	C1CC[NH+](C2CCNCC2)CC1,C1CCN(C2CC[NH2+]CC2)CC1	mol12774	C1CCN(C2CCNCC2)CC1
7.96999979019165	QSARToolbox	2	1	C1CC[NH+](C2CC[NH2+]CC2)CC1	C1CC[NH+](C2CCNCC2)CC1,C1CCN(C2CC[NH2+]CC2)CC1	mol12774	C1CCN(C2CCNCC2)CC1