[
  {
    "molid": "mol18098",
    "smiles": "O=C(CNC(=O)c1nccc(O)c1O)NCc1ccccc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(CNC(=O)c1nccc(O)c1O)NCc1ccccc1",
        "std_free_energy": -6.869110584259033,
        "relative_population": 0.9999883179545195
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(CNC(=O)c1nccc([O-])c1O)NCc1ccccc1",
        "std_free_energy": -2.505944013595581,
        "relative_population": 0.2971973721975879
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(CNC(=O)c1nccc(O)c1[O-])NCc1ccccc1",
        "std_free_energy": -3.3665261268615723,
        "relative_population": 0.7027341000524135
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]