[
  {
    "molid": "mol14263",
    "smiles": "COc1cccnc1C(O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc[nH+]c1C([O-])[O-]",
        "std_free_energy": 9.52519416809082,
        "relative_population": 0.26768907881182186
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cccnc1C([O-])O",
        "std_free_energy": 8.663202285766602,
        "relative_population": 0.6338536143902528
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "COc1cccnc1[C-](O)O",
        "std_free_energy": 10.525397300720215,
        "relative_population": 0.0984573067979254
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cccnc1[C-]([O-])O",
        "std_free_energy": 10.664494514465332,
        "relative_population": 0.8272160343263708
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "COc1cccnc1C([O-])[O-]",
        "std_free_energy": 12.230518341064453,
        "relative_population": 0.17278396567362925
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.95,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]