[
  {
    "molid": "mol6356",
    "smiles": "Nc1cc(Cl)nc(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc(Cl)nc(Cl)c1",
        "std_free_energy": -7.595583915710449,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1cc(Cl)nc(Cl)c1",
        "std_free_energy": 2.0184249877929688,
        "relative_population": 0.29456769286618323
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cc(Cl)[nH+]c(Cl)c1",
        "std_free_energy": 1.14512300491333,
        "relative_population": 0.7054323071338168
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.17,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]