[
  {
    "molid": "mol11580",
    "smiles": "CCC1(c2ccccc2)NC(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@]1(c2ccccc2)NC(=O)NC1=O",
        "std_free_energy": -6.3120927810668945,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@@]1(c2ccccc2)[N-]C(=O)NC1=O",
        "std_free_energy": -0.4115564823150635,
        "relative_population": 0.22184713426129904
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[C@@]1(c2ccccc2)NC(=O)[N-]C1=O",
        "std_free_energy": -1.666490912437439,
        "relative_population": 0.778152865738701
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]