pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.51	Datawarrior	1	0	CN(C1=[NH+]CCO1)c1ccccc1	CN(C1=NCCO1)c1ccccc1	mol13779	CN(C1=NCCO1)c1ccccc1
8.5100002	OCHEM	1	0	CN(C1=[NH+]CCO1)c1ccccc1	CN(C1=NCCO1)c1ccccc1	mol13779	CN(C1=NCCO1)c1ccccc1