[
  {
    "molid": "mol14910",
    "smiles": "O=c1[nH]cc(SSc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]cc(SSc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1",
        "std_free_energy": -5.614908695220947,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]cc(SSc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1",
        "std_free_energy": -1.6612582206726074,
        "relative_population": 0.4013634141478106
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c(SSc2c[nH]c(=O)[nH]c2=O)c[nH]1",
        "std_free_energy": -2.0610456466674805,
        "relative_population": 0.5986365858521894
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]