pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.99	IUPAC digitized pKa	0	-1	Nc1ncnc(O)c1NCc1ccccc1	Nc1ncnc([O-])c1NCc1ccccc1	mol6997	Nc1ncnc(O)c1NCc1ccccc1
3.74	IUPAC digitized pKa	1	0	Nc1nc[nH+]c(O)c1NCc1ccccc1,Nc1[nH+]cnc(O)c1NCc1ccccc1,Nc1ncnc(O)c1[NH2+]Cc1ccccc1,[NH3+]c1ncnc(O)c1NCc1ccccc1	Nc1ncnc(O)c1NCc1ccccc1	mol6997	Nc1ncnc(O)c1NCc1ccccc1