{"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": "CHEMBL1484345", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1484345", "molecule_chembl_id": "CHEMBL1484345", "parent_chembl_id": "CHEMBL1484345"}, "molecule_properties": {"alogp": "3.08", "aromatic_rings": 2, "full_molformula": "C15H14N2O3", "full_mwt": "270.29", "hba": 3, "hbd": 1, "heavy_atoms": 20, "mw_freebase": "270.29", "np_likeness_score": "-1.92", "num_ro5_violations": 0, "psa": "72.24", "qed_weighted": "0.69", "ro3_pass": "N", "rtb": 4}, "molecule_structures": {"canonical_smiles": "Cc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1", "molfile": "\n     RDKit          2D\n\n 20 21  0  0  0  0  0  0  0  0999 V2000\n   -2.0784   -0.1896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0784   -3.4896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3639   -2.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5073   -0.1896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0784   -2.6646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5073   -1.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7929   -2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7929   -1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7929    0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2218   -1.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5073   -2.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0784    1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7929    1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2218   -2.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0784    2.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3639    1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6495    2.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3639    2.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6495    1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0650    2.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  9  2  0\n  2  5  1  0\n  3  5  2  0\n  4  6  1  0\n  4  9  1  0\n  5  7  1  0\n  6  8  1  0\n  6 10  2  0\n  7  8  2  0\n  7 11  1  0\n  9 13  1  0\n 10 14  1  0\n 11 14  2  0\n 12 13  1  0\n 12 15  2  0\n 12 16  1  0\n 15 18  1  0\n 16 19  2  0\n 17 18  2  0\n 17 19  1  0\n 17 20  1  0\nM  CHG  2   2  -1   5   1\nM  END\n> <chembl_id>\nCHEMBL1484345\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C15H14N2O3/c1-11-5-7-12(8-6-11)9-15(18)16-13-3-2-4-14(10-13)17(19)20/h2-8,10H,9H2,1H3,(H,16,18)", "standard_inchi_key": "MSRRQFGXLDUORN-UHFFFAOYSA-N"}, "molecule_synonyms": [], "molecule_type": "Small molecule", "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}