[
  {
    "molid": "mol38543",
    "smiles": "Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl",
        "std_free_energy": -3.063918352127075,
        "relative_population": 0.6825744128337733
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1c(Cl)c(Cl)[nH+]c(C(=O)[O-])c1Cl",
        "std_free_energy": -2.2955076694488525,
        "relative_population": 0.31654356183115745
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl",
        "std_free_energy": -11.474065780639648,
        "relative_population": 0.9999998689498739
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]