[
  {
    "molid": "mol34549",
    "smiles": "c1ccc(NCc2c3ccccc3c(CNc3ccccc3)c3ccccc23)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(NCc2c3ccccc3c(CNc3ccccc3)c3ccccc23)cc1",
        "std_free_energy": -6.33741569519043,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(NCc2c3ccccc3c(C[NH2+]c3ccccc3)c3ccccc23)cc1",
        "std_free_energy": -1.9046409130096436,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.79999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]