pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.66	Datawarrior	1	0	CN(C)C1CC[NH2+]CC1,C[NH+](C)C1CCNCC1	CN(C)C1CCNCC1	mol13588	CN(C)C1CCNCC1
7.71	Datawarrior	2	1	C[NH+](C)C1CC[NH2+]CC1	CN(C)C1CC[NH2+]CC1,C[NH+](C)C1CCNCC1	mol13588	CN(C)C1CCNCC1
7.71000003814697	QSARToolbox	2	1	C[NH+](C)C1CC[NH2+]CC1	CN(C)C1CC[NH2+]CC1,C[NH+](C)C1CCNCC1	mol13588	CN(C)C1CCNCC1