[
  {
    "molid": "mol7195",
    "smiles": "CCCCc1c(O)ncnc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCc1c(O)ncnc1Cl",
        "std_free_energy": -6.68817663192749,
        "relative_population": 0.9999948531483257
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCc1c([O-])ncnc1Cl",
        "std_free_energy": -3.8810620307922363,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]