pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	Datawarrior	0	-1	N#CC(C#N)=NNc1ccccc1O	N#CC(C#N)=NNc1ccccc1[O-],N#CC(C#N)=N[N-]c1ccccc1O	mol13223	N#CC(C#N)=NNc1ccccc1O
6.0999999	OCHEM	0	-1	N#CC(C#N)=NNc1ccccc1O	N#CC(C#N)=NNc1ccccc1[O-],N#CC(C#N)=N[N-]c1ccccc1O	mol13223	N#CC(C#N)=NNc1ccccc1O
6.09999990463257	QSARToolbox	0	-1	N#CC(C#N)=NNc1ccccc1O	N#CC(C#N)=NNc1ccccc1[O-],N#CC(C#N)=N[N-]c1ccccc1O	mol13223	N#CC(C#N)=NNc1ccccc1O