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        "molfile": "\n  Marvin  01132101352D          \n\n 20 20  0  0  0  0            999 V2000\n    5.9488   -2.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2046   -3.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6188   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1806   -2.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0249   -3.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7489   -3.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2901   -2.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6188   -0.9898    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4721   -2.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1057   -1.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5108   -3.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9309   -3.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8818   -0.0664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7826   -0.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5047   -1.4056    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.3640   -3.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6273   -4.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1396   -5.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8059   -4.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0507   -0.1719    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  2  6  2  0  0  0  0\n  3  7  1  0  0  0  0\n  3  8  1  0  0  0  0\n  4  9  2  0  0  0  0\n  4 10  1  0  0  0  0\n  5 11  1  0  0  0  0\n  6 12  1  0  0  0  0\n  8 13  2  0  0  0  0\n  8 14  2  0  0  0  0\n  8 15  1  0  0  0  0\n  9 16  1  0  0  0  0\n 12 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 17 19  1  0  0  0  0\n  5  7  2  0  0  0  0\n 12 16  2  0  0  0  0\nM  CHG  2  15  -1  20   1\nM  END",
        "smiles": "CC(C)c1ccc(C)c2-c(c1)c(C)cc2S(=O)(=O)[O-].[Na+]",
        "formula": "C15H17O3S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "300.3501",
        "optical_activity": "NONE",
        "references": [
          "1bac6d84-3ef8-4037-a065-220540f1886e",
          "a2e90218-54a2-4495-aee1-31972d5cf3d8",
          "5a3161da-382c-426a-ad43-a7a8371509dd"
        ],
        "stereo_centers": 0
      },
      "unii": "19WSH095WP"
    }
  ]
}