pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.33	IUPAC digitized pKa	0	-1	Cc1nc2ccncc2nc1O	Cc1nc2ccncc2nc1[O-]	mol2248	Cc1nc2ccncc2nc1O
8.32999992370606	QSARToolbox	0	-1	Cc1nc2ccncc2nc1O	Cc1nc2ccncc2nc1[O-]	mol2248	Cc1nc2ccncc2nc1O
4.57	IUPAC digitized pKa	1	0	Cc1nc2cc[nH+]cc2nc1O,Cc1[nH+]c2ccncc2nc1O,Cc1nc2ccncc2[nH+]c1O	Cc1nc2ccncc2nc1O	mol2248	Cc1nc2ccncc2nc1O
4.57000017166138	QSARToolbox	1	0	Cc1nc2cc[nH+]cc2nc1O,Cc1[nH+]c2ccncc2nc1O,Cc1nc2ccncc2[nH+]c1O	Cc1nc2ccncc2nc1O	mol2248	Cc1nc2ccncc2nc1O
4.55999994277954	QSARToolbox	1	0	Cc1nc2cc[nH+]cc2nc1O,Cc1[nH+]c2ccncc2nc1O,Cc1nc2ccncc2[nH+]c1O	Cc1nc2ccncc2nc1O	mol2248	Cc1nc2ccncc2nc1O