[
  {
    "molid": "euroSAMPL-20",
    "smiles": "CN1C(=O)C(C)(C)c2cc(C(=O)O)ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C(=O)C(C)(C)c2cc(C(=O)O)ccc21",
        "std_free_energy": -3.761025905609131,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1C(=O)C(C)(C)c2cc(C(=O)[O-])ccc21",
        "std_free_energy": -9.618486404418945,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.24,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "euroSAMPL1"
      }
    ]
  }
]