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      "structure": {
        "id": "c81a6738-634a-4c6e-8da9-56d38fa81bc2",
        "molfile": "\n  Marvin  01132110202D          \n\n 32 33  0  0  0  0            999 V2000\n   -0.8936   -4.0198    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0\n    1.8134   -3.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5174   -2.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4969   -1.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7723   -1.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0684   -1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0889   -2.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3438   -1.4832    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    1.7518   -0.6228    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    3.2420   -3.0614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2626   -3.8862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9870   -4.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0937   -5.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9047   -5.2501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2993   -4.5256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7321   -3.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8835   -3.1155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1173   -4.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6188   -5.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4369   -4.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7535   -4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2521   -3.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4340   -3.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9383   -5.6226    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2831   -6.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5934   -5.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4396   -6.2777    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.4946   -5.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8341   -3.9218    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0093   -3.9423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6588   -3.9012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8546   -4.7465    0.0000 O   0  5  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  6  8  1  0  0  0  0\n  5  9  1  0  0  0  0\n  3 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  2  0  0  0  0\n 15 14  1  0  0  0  0\n 15 16  1  0  0  0  0\n 12 16  2  0  0  0  0\n 16 17  1  0  0  0  0\n 15 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 22 23  1  0  0  0  0\n 18 23  2  0  0  0  0\n 20 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 24 26  2  0  0  0  0\n 24 27  1  0  0  0  0\n 13 28  1  0  0  0  0\n  2 29  1  0  0  0  0\n 29 30  2  0  0  0  0\n 29 31  2  0  0  0  0\n 29 32  1  0  0  0  0\nM  CHG  3   1   2  27  -1  32  -1\nM  END",
        "smiles": "Cc1c(c(n(-c2cccc(c2)S(=O)(=O)[O-])n1)O)/N=N/c3cc(c(cc3S(=O)(=O)[O-])Cl)Cl.[Ca+2]",
        "formula": "C16H10Cl2N4O7S2.Ca",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "545.3899",
        "optical_activity": "NONE",
        "references": [
          "40b85e9c-c704-491c-8b46-95dd626e7d2d",
          "6e686afb-4435-4f74-89d6-23f3a8c92b63"
        ],
        "stereo_centers": 0
      },
      "unii": "VVH58816TS"
    }
  ]
}