pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.96	Datawarrior	0	-1	N#Cc1ccc(CC(C#N)C#N)cc1	N#Cc1ccc(C[C-](C#N)C#N)cc1	mol13313	N#Cc1ccc(CC(C#N)C#N)cc1
10.960000038147	QSARToolbox	0	-1	N#Cc1ccc(CC(C#N)C#N)cc1	N#Cc1ccc(C[C-](C#N)C#N)cc1	mol13313	N#Cc1ccc(CC(C#N)C#N)cc1
