pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.3299999	OCHEM	0	-1	N#CC(C#N)=NNc1ccc(N=Nc2ccccc2)cc1	N#CC(C#N)=N[N-]c1ccc(N=Nc2ccccc2)cc1	mol32528	N#CC(C#N)=NNc1ccc(N=Nc2ccccc2)cc1
7.32999992370606	QSARToolbox	0	-1	N#CC(C#N)=NNc1ccc(N=Nc2ccccc2)cc1	N#CC(C#N)=N[N-]c1ccc(N=Nc2ccccc2)cc1	mol32528	N#CC(C#N)=NNc1ccc(N=Nc2ccccc2)cc1
-0.87	OCHEM	2	1	N#CC(C#N)=[NH+]Nc1ccc(N=[NH+]c2ccccc2)cc1,N#CC(C#N)=[NH+]Nc1ccc([NH+]=Nc2ccccc2)cc1,N#CC(C#N)=N[NH2+]c1ccc([NH+]=Nc2ccccc2)cc1,N#CC(C#N)=N[NH2+]c1ccc(N=[NH+]c2ccccc2)cc1,N#CC(C#N)=NNc1ccc([NH+]=[NH+]c2ccccc2)cc1,N#CC(C#N)=[NH+][NH2+]c1ccc(N=Nc2ccccc2)cc1	N#CC(C#N)=[NH+]Nc1ccc(N=Nc2ccccc2)cc1,N#CC(C#N)=N[NH2+]c1ccc(N=Nc2ccccc2)cc1,N#CC(C#[NH+])=NNc1ccc(N=Nc2ccccc2)cc1,N#CC(C#N)=NNc1ccc(N=[NH+]c2ccccc2)cc1	mol32528	N#CC(C#N)=NNc1ccc(N=Nc2ccccc2)cc1