[
  {
    "molid": "mol26761",
    "smiles": "c1ccc2c(NCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc2c(NCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1",
        "std_free_energy": -3.3783955574035645,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc2c(NCC[NH2+]c3c4ccccc4nc4ccccc34)c3ccccc3nc2c1",
        "std_free_energy": -9.151390075683594,
        "relative_population": 0.5831365921652739
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc2c(NCCNc3c4ccccc4[nH+]c4ccccc34)c3ccccc3nc2c1",
        "std_free_energy": -8.815727233886719,
        "relative_population": 0.41686340783472614
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]