pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.36	Datawarrior	0	-1	Oc1ccccc1-c1nnn[nH]1	Oc1ccccc1-c1nnn[n-]1	mol12768	Oc1ccccc1-c1nnn[nH]1
4.3600001	OCHEM	0	-1	Oc1ccccc1-c1nnn[nH]1	Oc1ccccc1-c1nnn[n-]1	mol12768	Oc1ccccc1-c1nnn[nH]1
4.3600001335144	QSARToolbox	0	-1	Oc1ccccc1-c1nnn[nH]1	Oc1ccccc1-c1nnn[n-]1	mol12768	Oc1ccccc1-c1nnn[nH]1