[
  {
    "molid": "mol29657",
    "smiles": "O=c1c(O)c(CCCCCO)oc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1c(O)c(CCCCCO)oc2ccccc12",
        "std_free_energy": -5.773830890655518,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1c([O-])c(CCCCCO)oc2ccccc12",
        "std_free_energy": -1.8062736988067627,
        "relative_population": 0.9938917303785803
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.91,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]