[
  {
    "molid": "mol30843",
    "smiles": "C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1",
        "std_free_energy": -5.662849426269531,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=CCc1ccc([O-])c(-c2cc(CC=C)ccc2O)c1",
        "std_free_energy": -2.8348605632781982,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C=CCc1ccc([O-])c(-c2cc(CC=C)ccc2[O-])c1",
        "std_free_energy": 14.575182914733887,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.01,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.64,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]