[
  {
    "molid": "mol15471",
    "smiles": "O=C(Nc1ccccc1)ONC(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Nc1ccccc1)ONC(=O)c1ccccc1",
        "std_free_energy": -4.522364616394043,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]c1ccccc1)ONC(=O)c1ccccc1",
        "std_free_energy": -3.1528756618499756,
        "relative_population": 0.21467538088977567
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(Nc1ccccc1)O[N-]C(=O)c1ccccc1",
        "std_free_energy": -4.449845790863037,
        "relative_population": 0.7853246191102242
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.4000001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]