[
  {
    "molid": "mol6565",
    "smiles": "Oc1c(Cl)c(Cl)nc(Cl)c1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1c(Cl)c(Cl)nc(Cl)c1Cl",
        "std_free_energy": -2.7763943672180176,
        "relative_population": 0.9999376770999004
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1c(Cl)c(Cl)[nH+]c(Cl)c1Cl",
        "std_free_energy": 12.222077369689941,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(Cl)c(Cl)nc(Cl)c1Cl",
        "std_free_energy": -7.368239402770996,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": -4.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": -4.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]