pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.91	Datawarrior	0	-1	COc1cccc(-c2nnn[nH]2)c1	COc1cccc(-c2nnn[n-]2)c1	mol13742	COc1cccc(-c2nnn[nH]2)c1
3.9100001	OCHEM	0	-1	COc1cccc(-c2nnn[nH]2)c1	COc1cccc(-c2nnn[n-]2)c1	mol13742	COc1cccc(-c2nnn[nH]2)c1
3.91000008583069	QSARToolbox	0	-1	COc1cccc(-c2nnn[nH]2)c1	COc1cccc(-c2nnn[n-]2)c1	mol13742	COc1cccc(-c2nnn[nH]2)c1