[
  {
    "molid": "mol35649",
    "smiles": "CCN(CC)Cc1c2ccccc2c(CN(CC)CC)c2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)Cc1c2ccccc2c(CN(CC)CC)c2ccccc12",
        "std_free_energy": 0.5440320372581482,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCN(CC)Cc1c2ccccc2c(C[NH+](CC)CC)c2ccccc12",
        "std_free_energy": -7.583083152770996,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]