pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	IUPAC digitized pKa	0	-1	Cc1nc(O)nc2nc[nH]c12	Cc1nc([O-])nc2nc[nH]c12,Cc1nc(O)nc2nc[n-]c12	mol8307	Cc1nc(O)nc2nc[nH]c12
8.87	AttenGpKa training set	0	-1	Cc1nc(O)nc2nc[nH]c12	Cc1nc([O-])nc2nc[nH]c12,Cc1nc(O)nc2nc[n-]c12	mol8307	Cc1nc(O)nc2nc[nH]c12
2.24	IUPAC digitized pKa	1	0	Cc1nc(O)[nH+]c2nc[nH]c12,Cc1[nH+]c(O)nc2nc[nH]c12,Cc1nc(O)nc2[nH+]c[nH]c12	Cc1nc(O)nc2nc[nH]c12	mol8307	Cc1nc(O)nc2nc[nH]c12
2.29	AttenGpKa training set	1	0	Cc1nc(O)[nH+]c2nc[nH]c12,Cc1[nH+]c(O)nc2nc[nH]c12,Cc1nc(O)nc2[nH+]c[nH]c12	Cc1nc(O)nc2nc[nH]c12	mol8307	Cc1nc(O)nc2nc[nH]c12
12.46	IUPAC digitized pKa	-1	-2	Cc1nc([O-])nc2nc[nH]c12,Cc1nc(O)nc2nc[n-]c12	Cc1nc([O-])nc2nc[n-]c12	mol8307	Cc1nc(O)nc2nc[nH]c12