{"atc_classifications": [], "availability_type": -1, "biotherapeutic": null, "black_box_warning": 0, "chemical_probe": 0, "chirality": -1, "cross_references": [], "dosed_ingredient": false, "first_approval": null, "first_in_class": -1, "helm_notation": null, "inorganic_flag": -1, "max_phase": null, "molecule_chembl_id": "CHEMBL4803320", "molecule_hierarchy": null, "molecule_properties": {"alogp": "1.48", "aromatic_rings": 2, "full_molformula": "C12H10N2O5", "full_mwt": "262.22", "hba": 6, "hbd": 1, "heavy_atoms": 19, "mw_freebase": "262.22", "np_likeness_score": "-1.23", "num_ro5_violations": 0, "psa": "94.68", "qed_weighted": "0.89", "ro3_pass": "N", "rtb": 4}, "molecule_structures": {"canonical_smiles": "O=C(O)CCc1nc(-c2ccc3c(c2)OCO3)no1", "molfile": "\n     RDKit          2D\n\n 19 21  0  0  0  0  0  0  0  0999 V2000\n   36.1303  -15.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   36.8365  -14.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   37.5457  -15.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   38.2519  -14.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   37.5488  -15.8755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   35.4211  -14.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   35.3324  -13.8426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   34.5316  -13.6753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   34.1262  -14.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   34.6779  -14.9904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   33.3160  -14.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   32.9908  -15.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   32.1810  -15.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   32.8275  -13.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   31.6923  -14.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   32.0159  -13.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   31.3992  -13.3678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   30.6945  -13.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   30.8758  -14.5870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0\n  2  3  1  0\n  3  4  1  0\n  3  5  2  0\n  1  6  1  0\n  7  8  1  0\n  6  7  1  0\n  8  9  2  0\n  9 10  1  0\n 10  6  2  0\n 11 14  2  0\n 13 12  2  0\n 12 11  1  0\n  9 11  1  0\n 13 15  1  0\n 16 14  1  0\n 15 16  2  0\n 16 17  1  0\n 17 18  1  0\n 18 19  1  0\n 19 15  1  0\nM  END\n> <chembl_id>\nCHEMBL4803320\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C12H10N2O5/c15-11(16)4-3-10-13-12(14-19-10)7-1-2-8-9(5-7)18-6-17-8/h1-2,5H,3-4,6H2,(H,15,16)", "standard_inchi_key": "NSFDVNQFFIZBRC-UHFFFAOYSA-N"}, "molecule_synonyms": [], "molecule_type": "Unknown", "natural_product": 0, "oral": false, "orphan": -1, "parenteral": false, "polymer_flag": 0, "pref_name": null, "prodrug": -1, "structure_type": "MOL", "therapeutic_flag": false, "topical": false, "usan_stem": null, "usan_stem_definition": null, "usan_substem": null, "usan_year": null, "veterinary": -1, "withdrawn_flag": false}