[
  {
    "molid": "mol32654",
    "smiles": "C=C(C(=O)OC1CC2C3OC3C(C1)N2C)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C(C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)N2C)c1ccccc1",
        "std_free_energy": -4.6258978843688965,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C=C(C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[NH+]2C)c1ccccc1",
        "std_free_energy": -7.06103515625,
        "relative_population": 0.9971442373285194
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.7199998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]