pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.79	IUPAC digitized pKa	1	0	CCCO[NH+]=Cc1ccncc1,CCCON=Cc1cc[nH+]cc1	CCCON=Cc1ccncc1	mol3816	CCCON=Cc1ccncc1
3.55999994277954	QSARToolbox	1	0	CCCO[NH+]=Cc1ccncc1,CCCON=Cc1cc[nH+]cc1	CCCON=Cc1ccncc1	mol3816	CCCON=Cc1ccncc1