pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.95	Datawarrior	1	0	C1CC[C@H]2C[NH2+]CC[C@@H]2C1	C1CC[C@H]2CNCC[C@@H]2C1	mol13172	C1CCC2CNCCC2C1
10.9499998092651	QSARToolbox	1	0	C1CC[C@H]2C[NH2+]CC[C@@H]2C1	C1CC[C@H]2CNCC[C@@H]2C1	mol13172	C1CCC2CNCCC2C1