pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.09	Datawarrior	1	0	C[NH+](C)CC(C)(C)CN,CN(C)CC(C)(C)C[NH3+]	CN(C)CC(C)(C)CN	mol13487	CN(C)CC(C)(C)CN
7.4	Datawarrior	2	1	C[NH+](C)CC(C)(C)C[NH3+]	C[NH+](C)CC(C)(C)CN,CN(C)CC(C)(C)C[NH3+]	mol13487	CN(C)CC(C)(C)CN
7.67000007629395	QSARToolbox	2	1	C[NH+](C)CC(C)(C)C[NH3+]	C[NH+](C)CC(C)(C)CN,CN(C)CC(C)(C)C[NH3+]	mol13487	CN(C)CC(C)(C)CN