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          "molfile": "\n  Marvin  01132100262D          \n\n 25 27  0  0  0  0            999 V2000\n    5.9531   -7.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2886   -6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0956   -6.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1819   -5.3007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8964   -4.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6108   -5.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3253   -4.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3253   -4.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6108   -3.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8964   -4.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0398   -3.6507    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7542   -3.2382    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.4522   -4.3652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6272   -2.9362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4282   -4.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2566   -4.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8762   -5.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0557   -5.4920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7202   -4.7383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8996   -4.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4147   -5.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5943   -5.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2587   -4.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7436   -3.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5641   -3.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  2 17  2  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  4 15  1  0  0  0  0\n  6  5  1  0  0  0  0\n  5 10  2  0  0  0  0\n  7  6  2  0  0  0  0\n  8  7  1  0  0  0  0\n  8  9  2  0  0  0  0\n  8 11  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  2  0  0  0  0\n 11 14  2  0  0  0  0\n 15 16  2  0  0  0  0\n 17 15  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  2  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 20 25  2  0  0  0  0\n 21 22  2  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 24 25  1  0  0  0  0\nM  CHG  1  12  -1\nM  END",
          "smiles": "Cc1c(c(=O)n(-c2ccc(cc2)S(=O)(=O)[O-])[nH]1)/N=N/c3ccccc3",
          "formula": "C16H13N4O4S",
          "atropisomerism": "No",
          "charge": -1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "bf3ae852-40b5-483e-b361-38fde4a94ece"
          },
          "defined_stereo": 0,
          "ez_centers": 1,
          "molecular_weight": "357.3655",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "5b0d500b-122a-4e2f-93ff-c701db9c5597",
      "version": "8",
      "structure": {
        "id": "d06064bf-4a06-4075-8655-e8dff0d44751",
        "molfile": "\n  Marvin  01132110462D          \n\n 26 27  0  0  0  0            999 V2000\n    1.0494   -5.5449    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    9.3253   -4.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3253   -4.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6108   -5.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8964   -4.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8964   -4.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6108   -3.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1819   -5.3007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0956   -6.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2886   -6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8762   -5.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4282   -4.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2566   -4.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0557   -5.4920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7202   -4.7383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8996   -4.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4147   -5.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5943   -5.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2587   -4.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7436   -3.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5641   -3.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9531   -7.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0398   -3.6507    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4522   -4.3652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6272   -2.9362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7542   -3.2382    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  5  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n  8 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 11 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  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 16 21  2  0  0  0  0\n 10 22  1  0  0  0  0\n  2 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 23 25  2  0  0  0  0\n 23 26  1  0  0  0  0\nM  CHG  2   1   1  26  -1\nM  END",
        "smiles": "Cc1c(c(n(-c2ccc(cc2)S(=O)(=O)[O-])n1)O)/N=N/c3ccccc3.[Na+]",
        "formula": "C16H13N4O4S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "380.3553",
        "optical_activity": "NONE",
        "references": [
          "4f6f2dc8-ba60-4332-bbea-1e4ca2bef652",
          "70c6b48d-9a5d-4a02-aa78-3f115bdc5254"
        ],
        "stereo_centers": 0
      },
      "unii": "ED6O1DCO98"
    }
  ]
}