[
  {
    "molid": "mol30842",
    "smiles": "C=CCc1ccc(O)c(-c2ccc(O)c(CC=C)c2)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=CCc1ccc(O)c(-c2ccc([O-])c(CC=C)c2)c1",
        "std_free_energy": -0.521432638168335,
        "relative_population": 0.693822600109618
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C=CCc1ccc([O-])c(-c2ccc(O)c(CC=C)c2)c1",
        "std_free_energy": 0.2966189980506897,
        "relative_population": 0.3061773998903819
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C=CCc1ccc([O-])c(-c2ccc([O-])c(CC=C)c2)c1",
        "std_free_energy": 14.64785099029541,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.92,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]