[
  {
    "molid": "mol6592",
    "smiles": "O=c1c(Cl)c[nH]c(Cl)c1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1c(Cl)c[nH]c(Cl)c1Cl",
        "std_free_energy": -4.803521156311035,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1c(Cl)c[n-]c(Cl)c1Cl",
        "std_free_energy": -4.578518390655518,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.97,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]