[
  {
    "molid": "mol9883",
    "smiles": "Cc1cc(Cl)[nH]c(=O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(Cl)[nH]c(=O)c1",
        "std_free_energy": -6.371189594268799,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(Cl)[nH]c(=[OH+])c1",
        "std_free_energy": 7.858883857727051,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(Cl)[n-]c(=O)c1",
        "std_free_energy": -1.1147749423980713,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.06,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 0.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]