pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	Datawarrior	0	-1	O=C([O-])/C=C\c1c[nH]c[nH+]1	O=C([O-])/C=C\c1c[nH]cn1	mol12976	O=C(O)/C=C\c1c[nH]cn1
6.69999980926514	QSARToolbox	0	-1	O=C([O-])/C=C\c1c[nH]c[nH+]1	O=C([O-])/C=C\c1c[nH]cn1	mol12976	O=C(O)/C=C\c1c[nH]cn1
6.65	AttenGpKa training set	0	-1	O=C([O-])/C=C\c1c[nH]c[nH+]1	O=C([O-])/C=C\c1c[nH]cn1	mol12976	O=C(O)/C=C\c1c[nH]cn1
3.0	Datawarrior	1	0	O=C(O)/C=C\c1c[nH]c[nH+]1	O=C([O-])/C=C\c1c[nH]c[nH+]1	mol12976	O=C(O)/C=C\c1c[nH]cn1
2.71	AttenGpKa training set	1	0	O=C(O)/C=C\c1c[nH]c[nH+]1	O=C([O-])/C=C\c1c[nH]c[nH+]1	mol12976	O=C(O)/C=C\c1c[nH]cn1