[
  {
    "molid": "mol8330",
    "smiles": "Clc1nc(Cl)c2[nH]c(Cl)nc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1nc(Cl)c2[nH]c(Cl)nc2n1",
        "std_free_energy": -3.036334991455078,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Clc1nc(Cl)c2[n-]c(Cl)nc2n1",
        "std_free_energy": -6.9663543701171875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.96,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]