pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	Datawarrior	1	0	CN1CC[NH2+]CC1,C[NH+]1CCNCC1	CN1CCNCC1	mol16018	CN1CCNCC1
9.6000004	OCHEM	1	0	CN1CC[NH2+]CC1,C[NH+]1CCNCC1	CN1CCNCC1	mol16018	CN1CCNCC1
9.85000038146973	QSARToolbox	1	0	CN1CC[NH2+]CC1,C[NH+]1CCNCC1	CN1CCNCC1	mol16018	CN1CCNCC1
9.32	AttenGpKa training set	1	0	CN1CC[NH2+]CC1,C[NH+]1CCNCC1	CN1CCNCC1	mol16018	CN1CCNCC1
5.05	Datawarrior	2	1	C[NH+]1CC[NH2+]CC1	CN1CC[NH2+]CC1,C[NH+]1CCNCC1	mol16018	CN1CCNCC1