[
  {
    "molid": "mol38032",
    "smiles": "COc1cccc(OC)c1OCCN(C)CCOc1cc(C)c(O)cc1C(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc(OC)c1OCC[NH+](C)CCOc1cc(C)c([O-])cc1C(C)C",
        "std_free_energy": -1.566870927810669,
        "relative_population": 0.05137279477604428
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cccc(OC)c1OCCN(C)CCOc1cc(C)c(O)cc1C(C)C",
        "std_free_energy": -4.482778072357178,
        "relative_population": 0.9486272052239556
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cccc(OC)c1OCC[NH+](C)CCOc1cc(C)c(O)cc1C(C)C",
        "std_free_energy": -8.690620422363281,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]