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        "id": "2107cdda-fd1c-4b32-b2ff-ff244ee7d59a",
        "molfile": "\n  Marvin  01132101522D          \n\n 21 19  0  0  0  0            999 V2000\n    5.3131   -0.1444    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   -0.3118   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0262   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7407   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4552   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3118   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4027   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4552    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1696   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0262    0.6188    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2012    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8512    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0262    1.4438    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -3.8841   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5986   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.5986   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3131   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1172   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8317   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8317    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5461   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  2  6  2  0  0  0  0\n  2  7  1  0  0  0  0\n  5  8  2  0  0  0  0\n  5  9  1  0  0  0  0\n 10 11  2  0  0  0  0\n 10 12  2  0  0  0  0\n 10 13  1  0  0  0  0\n  3 10  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 17  1  0  0  0  0\n  9 14  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  1  0  0  0  0\n  7 18  1  0  0  0  0\nM  CHG  2   1   1  13  -1\nM  END",
        "smiles": "CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-].[Na+]",
        "formula": "C12H21O7S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "332.3473",
        "optical_activity": "( + / - )",
        "references": [
          "5d973ed8-ca19-4adf-9380-d21bd77977de",
          "810be9b0-9cfb-406e-bb7b-057426699864"
        ],
        "stereo_centers": 1
      },
      "unii": "B51N789L6J"
    }
  ]
}