pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	Datawarrior	0	-1	O=C(O)c1nc2cc(Cl)ccc2[nH]1	O=C([O-])c1nc2cc(Cl)ccc2[nH]1	mol13768	O=C(O)c1nc2cc(Cl)ccc2[nH]1
4.3000002	OCHEM	0	-1	O=C(O)c1nc2cc(Cl)ccc2[nH]1	O=C([O-])c1nc2cc(Cl)ccc2[nH]1	mol13768	O=C(O)c1nc2cc(Cl)ccc2[nH]1
4.30000019073486	QSARToolbox	0	-1	O=C(O)c1nc2cc(Cl)ccc2[nH]1	O=C([O-])c1nc2cc(Cl)ccc2[nH]1	mol13768	O=C(O)c1nc2cc(Cl)ccc2[nH]1
12.6999998092651	QSARToolbox	-1	-2	O=C([O-])c1nc2cc(Cl)ccc2[nH]1	O=C([O-])c1nc2cc(Cl)ccc2[n-]1	mol13768	O=C(O)c1nc2cc(Cl)ccc2[nH]1