pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.10000038146973	QSARToolbox	0	-1	O=C(NC(=O)c1ccccc1)OCC(Cl)(Cl)Cl	O=C([N-]C(=O)c1ccccc1)OCC(Cl)(Cl)Cl	mol27332	O=C(NC(=O)c1ccccc1)OCC(Cl)(Cl)Cl
9.1	AttenGpKa training set	0	-1	O=C(NC(=O)c1ccccc1)OCC(Cl)(Cl)Cl	O=C([N-]C(=O)c1ccccc1)OCC(Cl)(Cl)Cl	mol27332	O=C(NC(=O)c1ccccc1)OCC(Cl)(Cl)Cl