{"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": "CHEMBL1702822", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1702822", "molecule_chembl_id": "CHEMBL1702822", "parent_chembl_id": "CHEMBL1702822"}, "molecule_properties": {"alogp": "1.43", "aromatic_rings": 2, "full_molformula": "C10H10N2O2", "full_mwt": "190.20", "hba": 3, "hbd": 1, "heavy_atoms": 14, "mw_freebase": "190.20", "np_likeness_score": "-1.55", "num_ro5_violations": 0, "psa": "55.12", "qed_weighted": "0.78", "ro3_pass": "Y", "rtb": 2}, "molecule_structures": {"canonical_smiles": "Cc1nn(CC(=O)O)c2ccccc12", "molfile": "\n     RDKit          2D\n\n 14 15  0  0  0  0  0  0  0  0999 V2000\n   -0.9602   -1.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2573   -0.2827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3566    0.0603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1283    0.7278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1413    0.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1413    1.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3566    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8557   -0.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1017   -0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8557    1.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5702    0.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7053   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5702    1.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1017    2.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 12  2  0\n  2 12  1  0\n  3  4  1  0\n  3  5  1  0\n  3  9  1  0\n  4  7  2  0\n  5  6  1  0\n  5  8  2  0\n  6  7  1  0\n  6 10  2  0\n  7 14  1  0\n  8 11  1  0\n  9 12  1  0\n 10 13  1  0\n 11 13  2  0\nM  END\n> <chembl_id>\nCHEMBL1702822\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C10H10N2O2/c1-7-8-4-2-3-5-9(8)12(11-7)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)", "standard_inchi_key": "LFDOOTGCEZRKSA-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}