[
  {
    "molid": "mol13633",
    "smiles": "OC(O)c1ccccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC(O)c1ccccn1",
        "std_free_energy": -7.522117614746094,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O[C-](O)c1ccccn1",
        "std_free_energy": 8.965352058410645,
        "relative_population": 0.22968981519906856
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]C([O-])c1cccc[nH+]1",
        "std_free_energy": 8.749415397644043,
        "relative_population": 0.28505052062252934
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]C(O)c1ccccn1",
        "std_free_energy": 8.217397689819336,
        "relative_population": 0.4852596641784021
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]