[
  {
    "molid": "mol26683",
    "smiles": "Cc1cc(N)cc2nc3cc(N)cc(C)c3cc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(N)cc2nc3cc(N)cc(C)c3cc12",
        "std_free_energy": -4.2894606590271,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(N)cc2[nH+]c3cc(N)cc(C)c3cc12",
        "std_free_energy": -13.826875686645508,
        "relative_population": 0.9052221155055563
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(N)cc2nc3cc([NH3+])cc(C)c3cc12",
        "std_free_energy": -11.570231437683105,
        "relative_population": 0.09477788449444373
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]