pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.05	IUPAC digitized pKa	0	-1	O=c1cnc2[nH]cnc(=O)c2[nH]1	O=c1cnc2[nH]cnc(=O)c2[n-]1,O=c1cnc2[n-]cnc(=O)c2[nH]1	mol9620	O=c1cnc2[nH]cnc(=O)c2[nH]1
9.51	IUPAC digitized pKa	1	0	O=c1c[nH+]c2[nH]cnc(=O)c2[nH]1,O=c1cnc2[nH]c[nH+]c(=O)c2[nH]1	O=c1cnc2[nH]cnc(=O)c2[nH]1	mol9620	O=c1cnc2[nH]cnc(=O)c2[nH]1
8.34	IUPAC digitized pKa	1	0	O=c1c[nH+]c2[nH]cnc(=O)c2[nH]1,O=c1cnc2[nH]c[nH+]c(=O)c2[nH]1	O=c1cnc2[nH]cnc(=O)c2[nH]1	mol9620	O=c1cnc2[nH]cnc(=O)c2[nH]1
10.08	IUPAC digitized pKa	1	0	O=c1c[nH+]c2[nH]cnc(=O)c2[nH]1,O=c1cnc2[nH]c[nH+]c(=O)c2[nH]1	O=c1cnc2[nH]cnc(=O)c2[nH]1	mol9620	O=c1cnc2[nH]cnc(=O)c2[nH]1