pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.44	Datawarrior	-1	-2	c1cc(-c2nnn[nH]2)ccc1-c1nnn[n-]1	c1cc(-c2nnn[n-]2)ccc1-c1nnn[n-]1	mol14487	c1cc(-c2nnn[nH]2)ccc1-c1nnn[nH]1
3.4400001	OCHEM	-1	-2	c1cc(-c2nnn[nH]2)ccc1-c1nnn[n-]1	c1cc(-c2nnn[n-]2)ccc1-c1nnn[n-]1	mol14487	c1cc(-c2nnn[nH]2)ccc1-c1nnn[nH]1
3.44000005722046	QSARToolbox	-1	-2	c1cc(-c2nnn[nH]2)ccc1-c1nnn[n-]1	c1cc(-c2nnn[n-]2)ccc1-c1nnn[n-]1	mol14487	c1cc(-c2nnn[nH]2)ccc1-c1nnn[nH]1