[
  {
    "molid": "mol10372",
    "smiles": "O=S(=O)(O)CCc1ccccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)([O-])CCc1cccc[nH+]1",
        "std_free_energy": -6.628001689910889,
        "relative_population": 0.9679830576991444
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])CCc1ccccn1",
        "std_free_energy": -11.399500846862793,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.14,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]