[
  {
    "molid": "mol30646",
    "smiles": "Oc1cc(O)c(-c2ccccc2)cc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cc(O)c(-c2ccccc2)cc1O",
        "std_free_energy": -1.8144161701202393,
        "relative_population": 0.49865734073199575
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1cc(-c2ccccc2)c(O)cc1O",
        "std_free_energy": -1.2841652631759644,
        "relative_population": 0.29343855391316964
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]c1cc(O)c(O)cc1-c1ccccc1",
        "std_free_energy": -0.9395739436149597,
        "relative_population": 0.20790410535483458
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "[O-]c1cc(-c2ccccc2)c([O-])cc1O",
        "std_free_energy": 7.657992839813232,
        "relative_population": 0.17839040952633467
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "[O-]c1cc(O)c(-c2ccccc2)cc1[O-]",
        "std_free_energy": 6.172121524810791,
        "relative_population": 0.7882740238752861
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]