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        "molfile": "\n  Marvin  01132100322D          \n\n 28 28  0  0  1  0            999 V2000\n   13.4944   -8.2415    0.0000 N   0  0  2  0  0  0  0  0  0  0  0  0\n   12.7433   -7.7436    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   11.3035   -7.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9882   -8.1171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   11.3035   -6.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7433   -6.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.3036   -7.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4944   -6.5195    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   14.3036   -7.0050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   13.2662   -7.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5897   -6.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8844   -6.9469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0131   -6.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0630   -6.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7641   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5897   -5.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7850   -6.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9882   -8.9843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0131   -5.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8844   -7.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2993   -5.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6022   -8.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7351   -5.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4820   -5.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9591   -7.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2248   -8.6772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   19.1085   -6.5044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   19.1085   -6.5044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  2  1  0  0  0  0\n  5  3  2  0  0  0  0\n  6  2  1  0  0  0  0\n  7  1  1  0  0  0  0\n  8 15  1  6  0  0  0\n  9  7  1  0  0  0  0\n  1 10  1  6  0  0  0\n 11  5  1  0  0  0  0\n 12 20  1  0  0  0  0\n 13  5  1  0  0  0  0\n  9 14  1  1  0  0  0\n 15 10  1  0  0  0  0\n 16 11  1  0  0  0  0\n 17 14  2  0  0  0  0\n  4 18  1  6  0  0  0\n 19 13  2  0  0  0  0\n 20 22  2  0  0  0  0\n 21 19  1  0  0  0  0\n 22  3  1  0  0  0  0\n 23 19  1  0  0  0  0\n 24 23  1  0  0  0  0\n  2 25  1  1  0  0  0\n  8  9  1  0  0  0  0\n  6  8  1  0  0  0  0\n 11 12  2  0  0  0  0\n 16 21  2  0  0  0  0\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  27  28\nM  SPA   1  1  27\nM  SDI   1  4   18.6885   -6.9244   18.6885   -6.0844\nM  SDI   1  4   19.5285   -6.0844   19.5285   -6.9244\nM  SMT   1 2\nM  END",
        "smiles": "C=C[C@H]1C[N@@]2CC[C@H]1C[C@@]2([H])[C@@H](c3ccnc4ccc(cc34)OC)O.Cl.O.O",
        "formula": "C20H24N2O2.ClH.2H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 5,
        "ez_centers": 0,
        "molecular_weight": "396.909",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "3a61fbb8-ac8f-4397-a281-175bd40823b9",
          "abb8aa03-284b-497a-815d-118f979e56c4"
        ],
        "stereo_centers": 5
      },
      "unii": "711S8Y0T33"
    }
  ]
}