pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	IUPAC digitized pKa	0	-1	Cc1nc2ncncc2[nH]1	Cc1nc2ncncc2[n-]1	mol4898	Cc1nc2ncncc2[nH]1
9.37	Datawarrior	0	-1	Cc1nc2ncncc2[nH]1	Cc1nc2ncncc2[n-]1	mol4898	Cc1nc2ncncc2[nH]1
9.3699999	OCHEM	0	-1	Cc1nc2ncncc2[nH]1	Cc1nc2ncncc2[n-]1	mol4898	Cc1nc2ncncc2[nH]1
2.76	IUPAC digitized pKa	1	0	Cc1[nH]c2cncnc2[nH+]1,Cc1nc2[nH+]cncc2[nH]1,Cc1nc2nc[nH+]cc2[nH]1	Cc1nc2ncncc2[nH]1	mol4898	Cc1nc2ncncc2[nH]1
2.85	Datawarrior	1	0	Cc1[nH]c2cncnc2[nH+]1,Cc1nc2[nH+]cncc2[nH]1,Cc1nc2nc[nH+]cc2[nH]1	Cc1nc2ncncc2[nH]1	mol4898	Cc1nc2ncncc2[nH]1
2.8499999	OCHEM	1	0	Cc1[nH]c2cncnc2[nH+]1,Cc1nc2[nH+]cncc2[nH]1,Cc1nc2nc[nH+]cc2[nH]1	Cc1nc2ncncc2[nH]1	mol4898	Cc1nc2ncncc2[nH]1
2.84999990463257	QSARToolbox	1	0	Cc1[nH]c2cncnc2[nH+]1,Cc1nc2[nH+]cncc2[nH]1,Cc1nc2nc[nH+]cc2[nH]1	Cc1nc2ncncc2[nH]1	mol4898	Cc1nc2ncncc2[nH]1