[
  {
    "molid": "mol20533",
    "smiles": "Nc1ccc(C(=O)O)c(F)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]c1ccc(C(=O)[O-])c(F)c1",
        "std_free_energy": -2.495962142944336,
        "relative_population": 0.09485588817556308
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1ccc(C(=O)O)c(F)c1",
        "std_free_energy": -4.751697540283203,
        "relative_population": 0.9051441118244369
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc(C(=O)[O-])c(F)c1",
        "std_free_energy": -10.123465538024902,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.13,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]