pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.76	IUPAC digitized pKa	0	-1	Cc1cnc2c(n1)N=CN[C@@H]2O	Cc1cnc2c(n1)N=C[N-][C@@H]2O	mol4771	Cc1cnc2c(n1)N=CNC2O
4.91	IUPAC digitized pKa	1	0	Cc1cnc2c([nH+]1)N=CN[C@@H]2O,Cc1c[nH+]c2c(n1)N=CN[C@@H]2O,Cc1cnc2c(n1)[NH+]=CN[C@@H]2O	Cc1cnc2c(n1)N=CN[C@@H]2O	mol4771	Cc1cnc2c(n1)N=CNC2O