pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.64	Datawarrior	2	1	C[NH+](C)CCN1C=[NH+]c2cccc3cccc1c23	CN(C)CCN1C=[NH+]c2cccc3cccc1c23,C[NH+](C)CCN1C=Nc2cccc3cccc1c23	mol14852	CN(C)CCN1C=Nc2cccc3cccc1c23
4.6399999	OCHEM	2	1	C[NH+](C)CCN1C=[NH+]c2cccc3cccc1c23	CN(C)CCN1C=[NH+]c2cccc3cccc1c23,C[NH+](C)CCN1C=Nc2cccc3cccc1c23	mol14852	CN(C)CCN1C=Nc2cccc3cccc1c23