[
  {
    "molid": "mol15013",
    "smiles": "COc1ccc2c(c1O)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c(c1[O-])C[NH+](C)CCc1cc3c(cc1C(=O)C2)OCO3",
        "std_free_energy": -2.301548957824707,
        "relative_population": 0.3209883436992479
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccc2c(c1O)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3",
        "std_free_energy": -3.0507824420928955,
        "relative_population": 0.6790116563007521
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc2c(c1[O-])CN(C)CCc1cc3c(cc1C(=O)C2)OCO3",
        "std_free_energy": 4.56929349899292,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]