[
  {
    "molid": "mol29896",
    "smiles": "O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O",
        "std_free_energy": -1.1406370401382446,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1oc2ccccc2c([O-])c1Cc1c(O)c2ccccc2oc1=O",
        "std_free_energy": -7.051355361938477,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1oc2ccccc2c([O-])c1Cc1c([O-])c2ccccc2oc1=O",
        "std_free_energy": -8.048564910888672,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 8.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]