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          "molfile": "\n  Marvin  01132112442D          \n\n 24 25  0  0  0  0            999 V2000\n    8.6860   -3.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9717   -3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2527   -3.9115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5384   -3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5384   -2.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8195   -2.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1098   -2.6811    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4047   -2.2709    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6903   -2.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9714   -2.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9714   -1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2571   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5427   -1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8331   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5427   -2.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8331   -2.6811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2571   -2.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2571   -3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9714   -3.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2527   -2.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2527   -1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5384   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9717   -2.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6860   -2.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2 23  2  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  6  5  1  0  0  0  0\n  5 20  2  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 17 10  2  0  0  0  0\n 12 11  2  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 13 15  2  0  0  0  0\n 16 15  1  0  0  0  0\n 15 17  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 21 20  1  0  0  0  0\n 23 20  1  0  0  0  0\n 22 21  1  0  0  0  0\n 24 23  1  0  0  0  0\nM  END",
          "smiles": "Cc1c(c(CO)c(cn1)CSSCc2cnc(C)c(c2CO)O)O",
          "formula": "C16H20N2O4S2",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "ff4a13d4-6c9f-485f-98e2-5c996518724d"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "368.4738",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "0477934b-f7ec-4a0c-925d-272f279fd663",
      "version": "7",
      "structure": {
        "id": "ca732a2f-4ad6-47d1-9322-640232468c1d",
        "molfile": "\n  Marvin  01132110272D          \n\n 27 25  0  0  0  0            999 V2000\n    7.2527   -2.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9717   -2.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9717   -3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6860   -3.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2527   -3.9115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5384   -3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5384   -2.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8195   -2.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1098   -2.6811    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4047   -2.2709    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6903   -2.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9714   -2.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2571   -2.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5427   -2.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8331   -2.6811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5427   -1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2571   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9714   -1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8331   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2571   -3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9714   -3.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6860   -2.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2527   -1.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5384   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3873    1.1060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7756    1.2201    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    6.7756    1.2201    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  3  5  2  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  1  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  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 16 14  1  0  0  0  0\n 16 17  2  0  0  0  0\n 17 18  1  0  0  0  0\n 18 12  2  0  0  0  0\n 19 16  1  0  0  0  0\n 20 13  1  0  0  0  0\n 21 20  1  0  0  0  0\n 22  2  1  0  0  0  0\n 23  1  1  0  0  0  0\n 24 23  1  0  0  0  0\n  2  1  2  0  0  0  0\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  26  27\nM  SPA   1  1  26\nM  SDI   1  4    6.3556    0.8001    6.3556    1.6401\nM  SDI   1  4    7.1956    1.6401    7.1956    0.8001\nM  SMT   1 2\nM  END",
        "smiles": "Cc1c(c(CO)c(cn1)CSSCc2cnc(C)c(c2CO)O)O.Cl.Cl.O",
        "formula": "C16H20N2O4S2.2ClH.H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "459.4108",
        "optical_activity": "NONE",
        "references": [
          "b58aa3c8-1b6d-41d6-90a3-e63ffa570fba",
          "064c33fb-c71d-451a-9142-1ba33137bb0a"
        ],
        "stereo_centers": 0
      },
      "unii": "0OE436N2Y2"
    }
  ]
}