[
  {
    "molid": "mol27520",
    "smiles": "O=C1COC(=S)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1COC(=S)N1",
        "std_free_energy": -5.251094341278076,
        "relative_population": 0.9999975242675399
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1COC(=S)[N-]1",
        "std_free_energy": -5.531270503997803,
        "relative_population": 0.5500902873695126
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[cH-]oc(=S)[nH]1",
        "std_free_energy": -5.330235004425049,
        "relative_population": 0.4499097126304873
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.51,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]