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        "molfile": "\n  Marvin  01132111142D          \n\n 43 18  0  0  0  0            999 V2000\n   20.8661  -16.3769    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n   13.1875  -16.3646    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0\n   13.1875  -16.3646    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0\n   13.1875  -16.3646    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0\n   20.8661  -16.3769    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0\n   20.8661  -16.3769    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0\n   20.8661  -16.3769    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    9.2387  -16.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0637  -16.2689    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n  2  3  3  0  0  0  0\n 42 43  3  0  0  0  0\n 40 41  3  0  0  0  0\n 38 39  3  0  0  0  0\n 36 37  3  0  0  0  0\n 34 35  3  0  0  0  0\n 32 33  3  0  0  0  0\n 30 31  3  0  0  0  0\n 28 29  3  0  0  0  0\n 26 27  3  0  0  0  0\n 24 25  3  0  0  0  0\n 22 23  3  0  0  0  0\n 20 21  3  0  0  0  0\n 18 19  3  0  0  0  0\n 16 17  3  0  0  0  0\n 14 15  3  0  0  0  0\n 12 13  3  0  0  0  0\n 10 11  3  0  0  0  0\nM  CHG  8   1   3   3  -1   4   2   5   2   6   2   7   3   8   3   9   3\nM  CHG  8  11  -1  13  -1  15  -1  17  -1  19  -1  21  -1  23  -1  25  -1\nM  CHG  8  27  -1  29  -1  31  -1  33  -1  35  -1  37  -1  39  -1  41  -1\nM  CHG  1  43  -1\nM  STY  3   1 MUL   2 MUL   3 MUL\nM  SCN  1   1 HT \nM  SAL   1  4   1   7   8   9\nM  SPA   1  1   1\nM  SDI   1  4   20.4461  -16.7969   20.4461  -15.9569\nM  SDI   1  4   21.2861  -15.9569   21.2861  -16.7969\nM  SMT   1 4\nM  SCN  1   2 HT \nM  SAL   2 15   2   3  10  11  12  13  14  15  16  17  18  19  20  21  22\nM  SAL   2 15  23  24  25  26  27  28  29  30  31  32  33  34  35  36  37\nM  SAL   2  6  38  39  40  41  42  43\nM  SPA   2  2   2   3\nM  SDI   2  4    8.8187  -16.6889    8.8187  -15.8451\nM  SDI   2  4   10.4837  -15.8451   10.4837  -16.6889\nM  SMT   2 18\nM  SCN  1   3 HT \nM  SAL   3  3   4   5   6\nM  SPA   3  1   4\nM  SDI   3  4   12.7675  -16.7846   12.7675  -15.9446\nM  SDI   3  4   13.6075  -15.9446   13.6075  -16.7846\nM  SMT   3 3\nM  END",
        "smiles": "[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+2].[Fe+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3]",
        "formula": "18CN.7Fe",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "859.2299",
        "optical_activity": "NONE",
        "references": [
          "fc39271a-0e84-45cd-86a1-55ee1e1a5c42",
          "313e57d0-ed8a-4d69-ac24-0124bdc77440"
        ],
        "stereo_centers": 0
      },
      "unii": "TLE294X33A"
    }
  ]
}