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      "structure": {
        "id": "625fab33-5591-47c3-a1f1-ed367163f281",
        "molfile": "\n  Marvin  01132105062D          \n\n 21 23  0  0  1  0            999 V2000\n    9.3049   -3.1731    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    9.4108   -3.9913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.1723   -4.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8280   -3.8078    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   10.2783   -5.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0398   -5.4441    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    9.6227   -5.6276    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    9.7286   -6.4458    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    9.9891   -4.7483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.7765   -4.5019    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    9.1709   -4.8543    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    8.8611   -5.3103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    9.0280   -6.1183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2876   -5.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4663   -5.8244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0159   -5.1332    0.0000 S   0  3  1  0  0  0  0  0  0  0  0  0\n    6.1978   -5.2391    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.2755   -4.3501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0495   -4.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7553   -4.4921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.7108   -3.6683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  3  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  7  5  1  0  0  0  0\n  7  8  1  0  0  0  0\n  2  9  1  6  0  0  0\n  7  9  1  6  0  0  0\n  9 10  1  0  0  0  0\n  9 11  1  0  0  0  0\n 12  7  1  0  0  0  0\n 12 13  1  6  0  0  0\n 12 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  1  0  0  0\n 18 16  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 20 12  1  0  0  0  0\n  2 20  1  0  0  0  0\n 20 21  1  6  0  0  0\nM  CHG  2  16   1  17  -1\nM  END",
        "smiles": "C1[C@@]2([H])[C@@]([H])(CO[S@+]([O-])O1)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl",
        "formula": "C9H6Cl6O3S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 5,
        "ez_centers": 0,
        "molecular_weight": "406.9262",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "9ef930d0-3e48-4187-989a-71f09d0b46bc",
          "602ff684-c3f0-4536-aebd-411e8fbb7e0f"
        ],
        "stereo_centers": 5
      },
      "unii": "QY5Y9R7G0E"
    }
  ]
}