pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.51	OCHEM	1	0	Cc1nc(N)c(C#N)c[nH+]1,Cc1ncc(C#N)c([NH3+])n1,Cc1ncc(C#N)c(N)[nH+]1	Cc1ncc(C#N)c(N)n1	mol7028	Cc1ncc(C#N)c(N)n1
3.50999999046326	QSARToolbox	1	0	Cc1nc(N)c(C#N)c[nH+]1,Cc1ncc(C#N)c([NH3+])n1,Cc1ncc(C#N)c(N)[nH+]1	Cc1ncc(C#N)c(N)n1	mol7028	Cc1ncc(C#N)c(N)n1