[
  {
    "molid": "mol21113",
    "smiles": "Oc1nsc2c1CNCC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1nsc2c1CNCC2",
        "std_free_energy": -4.2442474365234375,
        "relative_population": 0.0912021565155834
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1nsc2c1C[NH2+]CC2",
        "std_free_energy": -6.5432915687561035,
        "relative_population": 0.9087978434844166
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Oc1nsc2c1C[NH2+]CC2",
        "std_free_energy": -4.579283237457275,
        "relative_population": 0.9986417034102057
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1nsc2c1CNCC2",
        "std_free_energy": -0.7089364528656006,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      },
      {
        "pka_value": 6.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]