[
  {
    "molid": "SM02",
    "smiles": "FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1",
        "std_free_energy": -7.039219379425049,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "FC(F)(F)c1cccc(Nc2nc[nH+]c3ccccc23)c1",
        "std_free_energy": -0.22658482193946838,
        "relative_population": 0.4508197680482722
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "FC(F)(F)c1cccc(Nc2[nH+]cnc3ccccc23)c1",
        "std_free_energy": 0.0575702041387558,
        "relative_population": 0.3393094782656662
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "FC(F)(F)c1cccc([NH2+]c2ncnc3ccccc23)c1",
        "std_free_energy": 0.537990927696228,
        "relative_population": 0.2098707536860617
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.03,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "SAMPL6"
      }
    ]
  }
]