pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.52	IUPAC digitized pKa	0	-1	Nc1ncnc2nc(O)cnc12	Nc1ncnc2nc([O-])cnc12	mol8085	Nc1ncnc2nc(O)cnc12
2.27	IUPAC digitized pKa	1	0	Nc1[nH+]cnc2nc(O)cnc12,[NH3+]c1ncnc2nc(O)cnc12,Nc1ncnc2nc(O)c[nH+]c12,Nc1ncnc2[nH+]c(O)cnc12,Nc1nc[nH+]c2nc(O)cnc12	Nc1ncnc2nc(O)cnc12	mol8085	Nc1ncnc2nc(O)cnc12