pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28	Datawarrior	0	-1	Oc1ccc(-c2nnn[nH]2)cc1	Oc1ccc(-c2nnn[n-]2)cc1	mol12766	Oc1ccc(-c2nnn[nH]2)cc1
4.2800002	OCHEM	0	-1	Oc1ccc(-c2nnn[nH]2)cc1	Oc1ccc(-c2nnn[n-]2)cc1	mol12766	Oc1ccc(-c2nnn[nH]2)cc1
4.28000020980835	QSARToolbox	0	-1	Oc1ccc(-c2nnn[nH]2)cc1	Oc1ccc(-c2nnn[n-]2)cc1	mol12766	Oc1ccc(-c2nnn[nH]2)cc1