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      "structure": {
        "id": "b08c6cd2-1102-4443-a693-864010846d30",
        "molfile": "\n  Marvin  01132109092D          \n\n 29 31  0  0  0  0            999 V2000\n    3.7006   -5.9208    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    7.5451   -6.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5451   -6.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2558   -5.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2558   -4.9055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9846   -6.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9846   -6.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2973   -7.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2973   -8.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7368   -7.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4287   -6.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4287   -6.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6954   -5.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8116   -5.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7740   -4.9199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7740   -4.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0439   -3.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0439   -2.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7470   -2.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4655   -2.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4655   -3.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1240   -6.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1240   -6.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8531   -7.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8531   -8.2174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2956   -6.9802    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2956   -7.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4760   -6.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2956   -6.1569    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  4  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  2  1  0  0  0  0\n  9  8  2  0  0  0  0\n 10  7  1  0  0  0  0\n 11 10  2  0  0  0  0\n 12 11  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13  6  1  0  0  0  0\n 14  3  2  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 16  1  0  0  0  0\n 14 22  1  0  0  0  0\n 22 23  2  0  0  0  0\n 23 24  1  0  0  0  0\n 24  2  2  0  0  0  0\n 25 24  1  0  0  0  0\n 26 23  1  0  0  0  0\n 27 26  2  0  0  0  0\n 28 26  2  0  0  0  0\n 29 26  1  0  0  0  0\nM  CHG  2   1   1  29  -1\nM  END",
        "smiles": "C1CCC(CC1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)[O-].[Na+]",
        "formula": "C20H19N2O5S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "422.4319",
        "optical_activity": "NONE",
        "references": [
          "f2356036-ee3b-4885-a742-fce9e5a2c38e",
          "61545dc2-6978-426c-a8de-6ab06bc290d7"
        ],
        "stereo_centers": 0
      },
      "unii": "DG356U29IU"
    }
  ]
}