pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.86	IUPAC digitized pKa	0	-1	ON=C(C(=NO)c1ccco1)c1ccco1	[O-]N=C(C(=NO)c1ccco1)c1ccco1	mol11301	ON=C(C(=NO)c1ccco1)c1ccco1
9.84	IUPAC digitized pKa	0	-1	ON=C(C(=NO)c1ccco1)c1ccco1	[O-]N=C(C(=NO)c1ccco1)c1ccco1	mol11301	ON=C(C(=NO)c1ccco1)c1ccco1
11.53	IUPAC digitized pKa	-1	-2	[O-]N=C(C(=NO)c1ccco1)c1ccco1	[O-]N=C(C(=N[O-])c1ccco1)c1ccco1	mol11301	ON=C(C(=NO)c1ccco1)c1ccco1
11.25	IUPAC digitized pKa	-1	-2	[O-]N=C(C(=NO)c1ccco1)c1ccco1	[O-]N=C(C(=N[O-])c1ccco1)c1ccco1	mol11301	ON=C(C(=NO)c1ccco1)c1ccco1