pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.9	IUPAC digitized pKa	1	0	CCN1c2[nH+]c(O)nc(O)c2N=C(C)[C@@H]1C,CC[NH+]1c2nc(O)nc(O)c2N=C(C)[C@@H]1C,CCN1c2nc(O)[nH+]c(O)c2N=C(C)[C@@H]1C,CCN1c2nc(O)nc(O)c2[NH+]=C(C)[C@@H]1C	CCN1c2nc(O)nc(O)c2N=C(C)[C@@H]1C	mol8192	CCN1c2nc(O)nc(O)c2N=C(C)C1C
10.12	IUPAC digitized pKa	-1	-2	CCN1c2nc([O-])nc(O)c2N=C(C)[C@@H]1C,CCN1c2nc(O)nc([O-])c2N=C(C)[C@@H]1C	CCN1c2nc([O-])nc([O-])c2N=C(C)[C@@H]1C	mol8192	CCN1c2nc(O)nc(O)c2N=C(C)C1C