pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.39	Datawarrior	0	-1	O=C(NO)c1ccccc1O	O=C(N[O-])c1ccccc1O,O=C(NO)c1ccccc1[O-]	mol10151	O=C(NO)c1ccccc1O
7.3899999	OCHEM	0	-1	O=C(NO)c1ccccc1O	O=C(N[O-])c1ccccc1O,O=C(NO)c1ccccc1[O-]	mol10151	O=C(NO)c1ccccc1O
7.36999988555908	QSARToolbox	0	-1	O=C(NO)c1ccccc1O	O=C(N[O-])c1ccccc1O,O=C(NO)c1ccccc1[O-]	mol10151	O=C(NO)c1ccccc1O
7.40000009536743	QSARToolbox	0	-1	O=C(NO)c1ccccc1O	O=C(N[O-])c1ccccc1O,O=C(NO)c1ccccc1[O-]	mol10151	O=C(NO)c1ccccc1O
7.42999982833862	QSARToolbox	0	-1	O=C(NO)c1ccccc1O	O=C(N[O-])c1ccccc1O,O=C(NO)c1ccccc1[O-]	mol10151	O=C(NO)c1ccccc1O
7.32000017166138	QSARToolbox	0	-1	O=C(NO)c1ccccc1O	O=C(N[O-])c1ccccc1O,O=C(NO)c1ccccc1[O-]	mol10151	O=C(NO)c1ccccc1O
7.38000011444092	QSARToolbox	0	-1	O=C(NO)c1ccccc1O	O=C(N[O-])c1ccccc1O,O=C(NO)c1ccccc1[O-]	mol10151	O=C(NO)c1ccccc1O
7.32999992370606	QSARToolbox	0	-1	O=C(NO)c1ccccc1O	O=C(N[O-])c1ccccc1O,O=C(NO)c1ccccc1[O-]	mol10151	O=C(NO)c1ccccc1O
7.40999984741211	QSARToolbox	0	-1	O=C(NO)c1ccccc1O	O=C(N[O-])c1ccccc1O,O=C(NO)c1ccccc1[O-]	mol10151	O=C(NO)c1ccccc1O
9.72000026702881	QSARToolbox	-1	-2	O=C(N[O-])c1ccccc1O,O=C(NO)c1ccccc1[O-]	O=C(N[O-])c1ccccc1[O-]	mol10151	O=C(NO)c1ccccc1O
9.56999969482422	QSARToolbox	-1	-2	O=C(N[O-])c1ccccc1O,O=C(NO)c1ccccc1[O-]	O=C(N[O-])c1ccccc1[O-]	mol10151	O=C(NO)c1ccccc1O