pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.3299999237061	QSARToolbox	0	-1	Cn1c(=O)c2c(nc(N)n2C)n(C)c1=O	Cn1c(=O)c2c(nc([NH-])n2C)n(C)c1=O	mol29583	Cn1c(=O)c2c(nc(N)n2C)n(C)c1=O
1.67	AttenGpKa training set	1	0	Cn1c(=O)c2c([nH+]c(N)n2C)n(C)c1=O,Cn1c(=O)c2c(nc(N)n2C)n(C)c1=[OH+],Cn1c(=O)c2c(nc([NH3+])n2C)n(C)c1=O,Cn1c(=[OH+])c2c(nc(N)n2C)n(C)c1=O	Cn1c(=O)c2c(nc(N)n2C)n(C)c1=O	mol29583	Cn1c(=O)c2c(nc(N)n2C)n(C)c1=O