[
  {
    "molid": "mol36815",
    "smiles": "[O-][n+]1c[nH]c2ncnc(S)c21",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "[O-][n+]1c[nH]c2ncnc(S)c21",
        "std_free_energy": -4.167486190795898,
        "relative_population": 0.9811844278438302
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-][n+]1c[nH]c2ncnc([S-])c21",
        "std_free_energy": -5.256781578063965,
        "relative_population": 0.5538093180531085
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-][n+]1c[n-]c2ncnc(S)c21",
        "std_free_energy": -5.040587902069092,
        "relative_population": 0.44613730360780857
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]