[
  {
    "molid": "mol26623",
    "smiles": "Cc1c2ccccc2nc2ccc(N)cc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c2ccccc2nc2ccc(N)cc12",
        "std_free_energy": -5.144521713256836,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c2ccccc2[nH+]c2ccc(N)cc12",
        "std_free_energy": -4.025173664093018,
        "relative_population": 0.6573985035665265
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1c2ccccc2nc2ccc([NH3+])cc12",
        "std_free_energy": -3.3734512329101562,
        "relative_population": 0.34260149643347354
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]