{"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": "CHEMBL3310952", "molecule_hierarchy": {"active_chembl_id": "CHEMBL3310952", "molecule_chembl_id": "CHEMBL3310952", "parent_chembl_id": "CHEMBL3310952"}, "molecule_properties": {"alogp": "1.26", "aromatic_rings": 2, "full_molformula": "C13H11N3O3", "full_mwt": "257.25", "hba": 5, "hbd": 3, "heavy_atoms": 19, "mw_freebase": "257.25", "np_likeness_score": "-1.08", "num_ro5_violations": 0, "psa": "94.81", "qed_weighted": "0.44", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "O=C(N/N=C/c1ccc(O)c(O)c1)c1ccncc1", "molfile": "\n     RDKit          2D\n\n 19 20  0  0  0  0  0  0  0  0999 V2000\n   51.1029   -8.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   50.3885   -8.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   49.6740   -8.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   48.9595   -8.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   48.9595   -7.5189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   49.6740   -7.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   50.3885   -7.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   51.1029   -9.5814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   51.8174   -8.3439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   52.5319   -8.7564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   53.2463   -8.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   53.9608   -8.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   54.6753   -8.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   55.3898   -8.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   55.3898   -9.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   54.6753   -9.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   53.9608   -9.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   56.1042   -9.9939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   56.1042   -8.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0\n  2  3  2  0\n  3  4  1  0\n  4  5  2  0\n  5  6  1  0\n  6  7  2  0\n  2  7  1  0\n  9 10  1  0\n  1  8  2  0\n  1  9  1  0\n 11 12  1  0\n 12 13  1  0\n 13 14  2  0\n 14 15  1  0\n 15 16  2  0\n 16 17  1  0\n 12 17  2  0\n 15 18  1  0\n 14 19  1  0\n 10 11  2  0\nM  END\n> <chembl_id>\nCHEMBL3310952\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C13H11N3O3/c17-11-2-1-9(7-12(11)18)8-15-16-13(19)10-3-5-14-6-4-10/h1-8,17-18H,(H,16,19)/b15-8+", "standard_inchi_key": "FDFDWHTXHDGTDI-OVCLIPMQSA-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}