pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.55	Datawarrior	0	-1	N#Cc1ccccc1-c1nnn[nH]1	N#Cc1ccccc1-c1nnn[n-]1	mol13816	N#Cc1ccccc1-c1nnn[nH]1
3.54999995231628	QSARToolbox	0	-1	N#Cc1ccccc1-c1nnn[nH]1	N#Cc1ccccc1-c1nnn[n-]1	mol13816	N#Cc1ccccc1-c1nnn[nH]1