[
  {
    "molid": "mol15555",
    "smiles": "COc1cc2c(O)cc(C)nc2c2c(C)c(C)oc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cc2c(O)cc(C)nc2c2c(C)c(C)oc12",
        "std_free_energy": -6.928600311279297,
        "relative_population": 0.9735939733748962
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc2c(O)cc(C)[nH+]c2c2c(C)c(C)oc12",
        "std_free_energy": 1.4346214532852173,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.91,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.9100001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.91000008583069,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]