[
  {
    "molid": "mol1986",
    "smiles": "Cc1ccnc(N)c1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccnc(N)c1N",
        "std_free_energy": -4.736673831939697,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc[nH+]c(N)c1N",
        "std_free_energy": -6.1754961013793945,
        "relative_population": 0.44656507431988535
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccnc([NH3+])c1N",
        "std_free_energy": -5.590274810791016,
        "relative_population": 0.24872897311287118
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccnc(N)c1[NH3+]",
        "std_free_energy": -5.793258190155029,
        "relative_population": 0.30470595256724337
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]