pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.05	Datawarrior	1	0	C1CCC(C2=[NH+]CCC2)CC1	C1CCC(C2=NCCC2)CC1	mol14006	C1CCC(C2=NCCC2)CC1
6.0500002	OCHEM	1	0	C1CCC(C2=[NH+]CCC2)CC1	C1CCC(C2=NCCC2)CC1	mol14006	C1CCC(C2=NCCC2)CC1
6.05000019073486	QSARToolbox	1	0	C1CCC(C2=[NH+]CCC2)CC1	C1CCC(C2=NCCC2)CC1	mol14006	C1CCC(C2=NCCC2)CC1