[
  {
    "molid": "mol7124",
    "smiles": "Nc1ccnc(C(F)(F)F)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccnc(C(F)(F)F)n1",
        "std_free_energy": -8.00246810913086,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccnc(C(F)(F)F)[nH+]1",
        "std_free_energy": 4.103020191192627,
        "relative_population": 0.3795118388034823
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cc[nH+]c(C(F)(F)F)n1",
        "std_free_energy": 3.9382355213165283,
        "relative_population": 0.4474972811340296
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1ccnc(C(F)(F)F)n1",
        "std_free_energy": 4.888667106628418,
        "relative_population": 0.17299088006248803
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.39,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]