[
  {
    "molid": "mol36081",
    "smiles": "Cc1ncc(CO)c(/C=N/NC(=S)N(C)C)c1O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "Cc1ncc(C[O-])c(/C=N/[N-]C(=S)N(C)C)c1[O-]",
        "std_free_energy": 10.565370559692383,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ncc(C[O-])c(/C=N/[N-]C(=S)N(C)C)c1O",
        "std_free_energy": 9.934289932250977,
        "relative_population": 0.3105049780368497
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "Cc1ncc(C[O-])c(/C=N/NC(=S)N(C)C)c1[O-]",
        "std_free_energy": 9.865721702575684,
        "relative_population": 0.33254266353398304
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "Cc1ncc(CO)c(/C=N/[N-]C(=S)N(C)C)c1[O-]",
        "std_free_energy": 9.79488754272461,
        "relative_population": 0.35695235842916717
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1599998474121,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]