[
  {
    "molid": "mol1980",
    "smiles": "c1ccc(CSc2nc3ccccc3o2)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(CSc2nc3ccccc3o2)nc1",
        "std_free_energy": -6.413886070251465,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(CSc2nc3ccccc3o2)[nH+]c1",
        "std_free_energy": -1.3246005773544312,
        "relative_population": 0.8595248238400934
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc(CSc2[nH+]c3ccccc3o2)nc1",
        "std_free_energy": 0.4867483377456665,
        "relative_population": 0.14047517615990665
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]