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      "structure": {
        "id": "ad1cc4d1-1bc8-4be2-85a7-75c4503f84d0",
        "molfile": "\n  Marvin  01132108592D          \n\n 25 26  0  0  0  0            999 V2000\n   10.0229   -7.5440    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   13.1005   -7.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3861   -7.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3861   -6.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1005   -5.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8150   -6.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8150   -7.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6716   -7.4145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2591   -6.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0841   -8.1289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9571   -7.8270    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   13.7680   -4.4546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1005   -4.9395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4331   -4.4546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6881   -3.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5131   -3.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9255   -2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5131   -2.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6881   -2.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2755   -2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5295   -7.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2440   -7.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9585   -7.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5295   -8.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5295   -5.7645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  7  1  0  0  0  0\n  2  7  2  0  0  0  0\n  3  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  8 10  2  0  0  0  0\n  8 11  1  0  0  0  0\n 15 20  1  0  0  0  0\n 12 16  2  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 18 17  2  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  2  0  0  0  0\n 13  5  1  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  1  0  0  0  0\n  7 21  1  0  0  0  0\n 21 24  1  0  0  0  0\n  6 25  1  0  0  0  0\nM  CHG  2   1   1  11  -1\nM  END",
        "smiles": "CCC(C)c1cc(cc(c1O)-n2nc3ccccc3n2)S(=O)(=O)[O-].[Na+]",
        "formula": "C16H16N3O4S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "369.3724",
        "optical_activity": "( + / - )",
        "references": [
          "986cc49b-f987-4aee-909d-5ec2dd12733f",
          "f035e918-c1a3-4b91-bf3b-569ccf249ac6"
        ],
        "stereo_centers": 1
      },
      "unii": "0LA2QC9O3Z"
    }
  ]
}