pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	IUPAC digitized pKa	0	-1	O=Cc1ncnc2nc[nH]c12	O=Cc1ncnc2nc[n-]c12	mol4880	O=Cc1ncnc2nc[nH]c12
8.8000002	OCHEM	0	-1	O=Cc1ncnc2nc[nH]c12	O=Cc1ncnc2nc[n-]c12	mol4880	O=Cc1ncnc2nc[nH]c12
2.4	IUPAC digitized pKa	1	0	O=Cc1ncnc2[nH+]c[nH]c12,O=Cc1nc[nH+]c2nc[nH]c12,O=Cc1[nH+]cnc2nc[nH]c12	O=Cc1ncnc2nc[nH]c12	mol4880	O=Cc1ncnc2nc[nH]c12
2.4000001	OCHEM	1	0	O=Cc1ncnc2[nH+]c[nH]c12,O=Cc1nc[nH+]c2nc[nH]c12,O=Cc1[nH+]cnc2nc[nH]c12	O=Cc1ncnc2nc[nH]c12	mol4880	O=Cc1ncnc2nc[nH]c12