pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.27	Datawarrior	1	0	CN1CCC[NH+](C)c2cccc3cccc1c23	CN1CCCN(C)c2cccc3cccc1c23	mol15282	CN1CCCN(C)c2cccc3cccc1c23
10.2700004577637	QSARToolbox	1	0	CN1CCC[NH+](C)c2cccc3cccc1c23	CN1CCCN(C)c2cccc3cccc1c23	mol15282	CN1CCCN(C)c2cccc3cccc1c23