pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.62	Datawarrior	2	1	C[NH+]1CC[NH+](C)c2cccc3cccc1c23	CN1CC[NH+](C)c2cccc3cccc1c23	mol14492	CN1CCN(C)c2cccc3cccc1c23
4.6199999	OCHEM	2	1	C[NH+]1CC[NH+](C)c2cccc3cccc1c23	CN1CC[NH+](C)c2cccc3cccc1c23	mol14492	CN1CCN(C)c2cccc3cccc1c23
4.61999988555908	QSARToolbox	2	1	C[NH+]1CC[NH+](C)c2cccc3cccc1c23	CN1CC[NH+](C)c2cccc3cccc1c23	mol14492	CN1CCN(C)c2cccc3cccc1c23