pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.48	Datawarrior	0	-1	O=C1NC(=O)c2cc(Cl)ccc21	O=C1[N-]C(=O)c2cc(Cl)ccc21	mol12820	O=C1NC(=O)c2cc(Cl)ccc21
9.4799995	OCHEM	0	-1	O=C1NC(=O)c2cc(Cl)ccc21	O=C1[N-]C(=O)c2cc(Cl)ccc21	mol12820	O=C1NC(=O)c2cc(Cl)ccc21
9.455	AttenGpKa training set	0	-1	O=C1NC(=O)c2cc(Cl)ccc21	O=C1[N-]C(=O)c2cc(Cl)ccc21	mol12820	O=C1NC(=O)c2cc(Cl)ccc21