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          "molfile": "\n  Marvin  01132102032D          \n\n 29 31  0  0  0  0            999 V2000\n    8.8395  -10.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5136   -9.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2334  -10.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9111   -9.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9111   -8.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6027   -8.3565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3437   -8.7517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0601   -8.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7766   -8.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7766   -9.5704    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   14.4929   -8.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4929   -7.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7766   -7.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7766   -6.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0794   -5.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3437   -6.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3437   -7.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0601   -7.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0794   -5.0118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0794   -4.1776    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   13.9196   -5.0118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2545   -5.0118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2304   -8.7517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9644   -9.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8141   -9.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6398   -8.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1946   -8.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1946   -7.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5136   -8.8328    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 29  2  2  0  0  0  0\n  4  3  2  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  5 27  2  0  0  0  0\n  7  6  2  0  0  0  0\n  8  7  1  0  0  0  0\n  8  9  1  0  0  0  0\n 18  8  2  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  2  0  0  0  0\n 12 11  1  0  0  0  0\n 11 23  1  0  0  0  0\n 13 12  2  0  0  0  0\n 13 14  1  0  0  0  0\n 18 13  1  0  0  0  0\n 14 15  2  0  0  0  0\n 16 15  1  0  0  0  0\n 19 15  1  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  2  0  0  0  0\n 19 22  2  0  0  0  0\n 23 24  1  0  0  0  0\n 23 25  2  0  0  0  0\n 23 26  2  0  0  0  0\n 27 28  1  0  0  0  0\n 27 29  1  0  0  0  0\nM  CHG  2  10  -1  20  -1\nM  END",
          "smiles": "Cc1ccc(c(C)c1)/N=N/c2c3ccc(cc3cc(c2[O-])S(=O)(=O)O)S(=O)(=O)[O-]",
          "formula": "C18H14N2O7S2",
          "atropisomerism": "No",
          "charge": -2,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "4efb7bf0-b870-4c67-9a4e-0c0184cd45ec"
          },
          "defined_stereo": 0,
          "ez_centers": 1,
          "molecular_weight": "434.4458",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "eb4a6eff-597e-4cda-897e-f741ecf0609d",
      "version": "12",
      "structure": {
        "id": "aed86b8a-9759-44ca-8c6b-3a7384da6173",
        "molfile": "\n  Marvin  01132109042D          \n\n 31 31  0  0  0  0            999 V2000\n   13.0601   -7.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0601   -8.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7766   -7.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3437   -7.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7766   -8.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3437   -8.7517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4929   -7.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7766   -6.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3437   -6.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4929   -8.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7766   -9.5704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6027   -8.3565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0794   -5.0118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2304   -8.7517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9111   -8.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9196   -5.0118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2545   -5.0118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0794   -4.1776    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   14.8141   -9.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6398   -8.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9644   -9.1611    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.1946   -8.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9111   -9.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5136   -8.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1946   -7.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2334  -10.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5136   -9.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8395  -10.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7729   -6.1706    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   13.0794   -5.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7729   -6.1706    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  2  6  1  0  0  0  0\n  3  7  2  0  0  0  0\n  3  8  1  0  0  0  0\n  4  9  2  0  0  0  0\n  5 10  2  0  0  0  0\n  5 11  1  0  0  0  0\n  6 12  2  0  0  0  0\n  8 30  2  0  0  0  0\n 10 14  1  0  0  0  0\n 12 15  1  0  0  0  0\n 13 16  2  0  0  0  0\n 13 17  2  0  0  0  0\n 13 18  1  0  0  0  0\n 14 19  2  0  0  0  0\n 14 20  2  0  0  0  0\n 14 21  1  0  0  0  0\n 15 22  2  0  0  0  0\n 15 23  1  0  0  0  0\n 22 24  1  0  0  0  0\n 22 25  1  0  0  0  0\n 23 26  2  0  0  0  0\n 24 27  2  0  0  0  0\n 27 28  1  0  0  0  0\n  7 10  1  0  0  0  0\n  9 30  1  0  0  0  0\n 26 27  1  0  0  0  0\n 13 30  1  0  0  0  0\nM  CHG  4  18  -1  21  -1  29   1  31   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  29  31\nM  SPA   1  1  29\nM  SDI   1  4   14.3529   -6.5906   14.3529   -5.7506\nM  SDI   1  4   15.1929   -5.7506   15.1929   -6.5906\nM  SMT   1 2\nM  END",
        "smiles": "Cc1ccc(c(C)c1)/N=N/c2c3ccc(cc3cc(c2O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]",
        "formula": "C18H14N2O7S2.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "480.4254",
        "optical_activity": "NONE",
        "references": [
          "6e2fdf87-297b-4c47-9785-294173b1ab8b",
          "e3e16aab-d075-4a18-ada1-d0e6052879a7"
        ],
        "stereo_centers": 0
      },
      "unii": "U3J3635T4U"
    }
  ]
}