pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	IUPAC digitized pKa	0	-1	CN(C)c1ncnc2nc(O)cnc12	CN(C)c1ncnc2nc([O-])cnc12	mol8177	CN(C)c1ncnc2nc(O)cnc12
2.18	IUPAC digitized pKa	1	0	CN(C)c1[nH+]cnc2nc(O)cnc12,C[NH+](C)c1ncnc2nc(O)cnc12,CN(C)c1nc[nH+]c2nc(O)cnc12,CN(C)c1ncnc2nc(O)c[nH+]c12	CN(C)c1ncnc2nc(O)cnc12	mol8177	CN(C)c1ncnc2nc(O)cnc12