[
  {
    "molid": "mol15199",
    "smiles": "Oc1c(Cl)c(Cl)cc(Cl)c1CN1CCOCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1c(Cl)c(Cl)cc(Cl)c1C[NH+]1CCOCC1",
        "std_free_energy": -5.469945907592773,
        "relative_population": 0.5737191076039785
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1c(Cl)c(Cl)cc(Cl)c1CN1CCOCC1",
        "std_free_energy": -5.1729044914245605,
        "relative_population": 0.4262808923960216
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1c(Cl)c(Cl)cc(Cl)c1C[NH+]1CCOCC1",
        "std_free_energy": -2.858705997467041,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(Cl)c(Cl)cc(Cl)c1CN1CCOCC1",
        "std_free_energy": -2.2170982360839844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.2299995,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.915,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]