[
  {
    "molid": "mol36510",
    "smiles": "CN1CCN2CCc3cccc(c3O)CCN(CC1)CCN(C)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCN2CCc3cccc(c3O)CCN(CC1)CCN(C)CC2",
        "std_free_energy": -4.152509689331055,
        "relative_population": 0.7797901704556708
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN1CCN2CCc3cccc(c3[O-])CC[NH+](CC1)CCN(C)CC2",
        "std_free_energy": -1.7735776901245117,
        "relative_population": 0.07224714943667175
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CN1CCN2CCc3cccc(c3[O-])CCN(CC1)CC[NH+](C)CC2",
        "std_free_energy": -2.4904448986053467,
        "relative_population": 0.14796268010765742
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1CCN2CCc3cccc(c3[O-])CCN(CC1)CCN(C)CC2",
        "std_free_energy": 6.035007953643799,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.6700000762939,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]