pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	Datawarrior	2	1	C[NH+](C)CCCCN1C=[NH+]c2cccc3cccc1c23	CN(C)CCCCN1C=[NH+]c2cccc3cccc1c23,C[NH+](C)CCCCN1C=Nc2cccc3cccc1c23	mol14709	CN(C)CCCCN1C=Nc2cccc3cccc1c23
5.3000002	OCHEM	2	1	C[NH+](C)CCCCN1C=[NH+]c2cccc3cccc1c23	CN(C)CCCCN1C=[NH+]c2cccc3cccc1c23,C[NH+](C)CCCCN1C=Nc2cccc3cccc1c23	mol14709	CN(C)CCCCN1C=Nc2cccc3cccc1c23