[
  {
    "molid": "mol7870",
    "smiles": "Cc1nc(C(Cl)Cl)nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(C(Cl)Cl)nc2ccccc12",
        "std_free_energy": -7.510027885437012,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc(C(Cl)Cl)[nH+]c2ccccc12",
        "std_free_energy": 4.520562171936035,
        "relative_population": 0.3613349357237004
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1[nH+]c(C(Cl)Cl)nc2ccccc12",
        "std_free_energy": 3.9509873390197754,
        "relative_population": 0.6386650642762995
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.11,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 0.109999999403954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]