[
  {
    "molid": "mol34588",
    "smiles": "c1ccc2[nH]c(CN3CCNCCNCCNCC3)nc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc2[nH]c(CN3CCNCCNCCNCC3)nc2c1",
        "std_free_energy": -0.2804478406906128,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "c1ccc2[n-]c(CN3CCNCCNCCNCC3)nc2c1",
        "std_free_energy": 12.428970336914062,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0500001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]