pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.65	Datawarrior	0	-1	Cn1c(=O)[nH]c2ncn(C)c2c1=O	Cn1c(=O)[n-]c2ncn(C)c2c1=O	mol10180	Cn1c(=O)[nH]c2ncn(C)c2c1=O
8.6499996	OCHEM	0	-1	Cn1c(=O)[nH]c2ncn(C)c2c1=O	Cn1c(=O)[n-]c2ncn(C)c2c1=O	mol10180	Cn1c(=O)[nH]c2ncn(C)c2c1=O
8.5	QSARToolbox	0	-1	Cn1c(=O)[nH]c2ncn(C)c2c1=O	Cn1c(=O)[n-]c2ncn(C)c2c1=O	mol10180	Cn1c(=O)[nH]c2ncn(C)c2c1=O
0.5	Datawarrior	1	0	Cn1c(=O)[nH]c2[nH+]cn(C)c2c1=O	Cn1c(=O)[nH]c2ncn(C)c2c1=O	mol10180	Cn1c(=O)[nH]c2ncn(C)c2c1=O