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        }
      ],
      "definition_type": "PRIMARY",
      "moieties": [
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          "id": "979a4e2c-7f86-469d-b99c-62ef4a073ee4",
          "molfile": "\n  Marvin  01132107522D          \n\n  5  4  0  0  1  0            999 V2000\n    3.2292   -3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4042   -3.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5792   -3.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3959   -4.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3959   -2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  2  2  0  0  0  0\n  5  2  2  0  0  0  0\nM  END",
          "smiles": "OS(=O)(=O)O",
          "formula": "H2O4S",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "4f93d557-0bde-4c36-b46b-a3a5a31a6599"
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          "optical_activity": "NONE",
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          "molfile": "\n  Marvin  01132111222D          \n\n 24 27  0  0  1  0            999 V2000\n   -3.6227   -4.2920    0.0000 C   0  0  2  0  0  0  0  0  0  1  0  0\n   -3.6227   -5.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2837   -3.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0107   -4.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.7170   -3.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.7212   -3.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0231   -2.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0148   -1.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3167   -1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5979   -1.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8833   -1.4418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1398   -1.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5855   -2.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3043   -3.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8791   -3.9202    0.0000 C   0  0  2  0  0  0  0  0  0  2  0  0\n   -2.8667   -3.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1274   -2.7016    0.0000 C   0  0  2  0  0  0  0  0  0  2  0  0\n   -1.8629   -3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3587   -3.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1274   -4.4160    0.0000 N   0  0  0  0  0  0  0  0  0  2  0  0\n   -1.3177   -3.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3177   -3.1849    0.0000 C   0  0  2  0  0  0  0  0  0  1  0  0\n   -0.5617   -2.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1529   -3.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  6  0  0  0\n  1  3  1  0  0  0  0\n 15  1  1  0  0  0  0\n  4  3  1  0  0  0  0\n 14  3  2  0  0  0  0\n  5  4  2  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  2  0  0  0  0\n  8  7  1  0  0  0  0\n  7 14  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 11 10  1  0  0  0  0\n 10 13  2  0  0  0  0\n 12 11  1  0  0  0  0\n 13 14  1  0  0  0  0\n 15 16  1  6  0  0  0\n 20 15  1  0  0  0  0\n 17 16  1  1  0  0  0\n 17 18  1  0  0  0  0\n 17 22  1  0  0  0  0\n 18 19  1  0  0  0  0\n 20 19  1  0  0  0  0\n 20 21  1  0  0  0  0\n 22 21  1  0  0  0  0\n 22 23  1  1  0  0  0\n 24 23  2  0  0  0  0\nM  END",
          "smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c3ccnc4ccc(cc34)OC)O",
          "formula": "C20H24N2O2",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ABSOLUTE",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "640b66d7-6131-44fc-96da-00ed829db7fb"
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          "defined_stereo": 4,
          "ez_centers": 0,
          "molecular_weight": "324.4175",
          "optical_activity": "UNSPECIFIED",
          "stereo_centers": 4
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "d2351796-f013-49c9-ba06-8ec0a029631e",
      "version": "22",
      "structure": {
        "id": "fa3b8edf-4eb9-465d-bc3b-01e29a2d0599",
        "molfile": "\n  Marvin  01132112582D          \n\n 30 32  0  0  1  0            999 V2000\n    2.3836   -3.1725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3754   -3.9822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3754   -2.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2015   -3.1725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5656   -3.1725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1274   -4.4160    0.0000 N   0  0  2  0  0  0  0  0  0  0  0  0\n   -2.8791   -3.9202    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   -4.2837   -3.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6227   -4.2920    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   -4.3043   -3.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8667   -3.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3177   -3.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1274   -2.7016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   -1.3177   -3.1849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   -2.3587   -3.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0231   -2.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.7212   -3.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5855   -2.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5617   -2.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8629   -3.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0148   -1.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1529   -3.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6227   -5.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5979   -1.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.7170   -3.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3167   -1.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.0107   -4.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8833   -1.4418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1398   -1.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6599   -3.3874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  3  1  2  0  0  0  0\n  4  1  1  0  0  0  0\n  5  1  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9  7  1  0  0  0  0\n 10  8  2  0  0  0  0\n 11  7  1  0  0  0  0\n 12  6  1  0  0  0  0\n 13 20  1  6  0  0  0\n 14 12  1  0  0  0  0\n  6 15  1  6  0  0  0\n 16 10  1  0  0  0  0\n 17 25  1  0  0  0  0\n 18 10  1  0  0  0  0\n 14 19  1  1  0  0  0\n 20 15  1  0  0  0  0\n 21 16  1  0  0  0  0\n 22 19  2  0  0  0  0\n  9 23  1  6  0  0  0\n 24 18  2  0  0  0  0\n 25 27  2  0  0  0  0\n 26 24  1  0  0  0  0\n 27  8  1  0  0  0  0\n 28 24  1  0  0  0  0\n 29 28  1  0  0  0  0\n  7 30  1  1  0  0  0\n 13 14  1  0  0  0  0\n 11 13  1  0  0  0  0\n 16 17  2  0  0  0  0\n 21 26  2  0  0  0  0\nM  END",
        "smiles": "C=C[C@H]1C[N@@]2CC[C@H]1C[C@@]2([H])[C@@H](c3ccnc4ccc(cc34)OC)O.OS(=O)(=O)O",
        "formula": "C20H24N2O2.H2O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 5,
        "ez_centers": 0,
        "molecular_weight": "422.4971",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "27a6d52c-8588-413d-902a-45cb5a991653",
          "a80d1243-497d-4f57-8089-170f1c5e7ccf"
        ],
        "stereo_centers": 5
      },
      "unii": "M201HC068W"
    }
  ]
}