{
 "solvent": "acetonitrile",
 "recipe": "Gtot = E(GFN2,gas,ohess) + dGsolv(ALPB) ; G_gas includes G_mRRHO(bhess,298.15K)",
 "results": [
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  {
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  {
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 ],
 "rel_Gtot_kcal": {
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  "1": 0.18298726462777853,
  "2": 0.16002552203500553,
  "3": 0.13748277380943474,
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  "36": 0.4883816132487245,
  "37": 0.24601954336690762,
  "38": 0.27900200606571335,
  "39": 0.400454503827942
 },
 "free_energy_rank_order": [
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  19,
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  3,
  6,
  11,
  2,
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  18,
  23,
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  10,
  20,
  4,
  5,
  17,
  1,
  16,
  7,
  8,
  24,
  22,
  35,
  0,
  27,
  15,
  28,
  14,
  9,
  37,
  29,
  32,
  38,
  30,
  34,
  39,
  31,
  36
 ],
 "Gtot_boltzmann_pop_pct_298K": {
  "33": 3.496023272846645,
  "19": 3.112299668711762,
  "12": 3.033495188727584,
  "25": 2.848049388781083,
  "26": 2.774476994909313,
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  "6": 2.769419952618181,
  "11": 2.696550314155305,
  "2": 2.6685465562695363,
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  "18": 2.663761375029283,
  "23": 2.6589796575794318,
  "13": 2.65373001605751,
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  "20": 2.6298191573111285,
  "4": 2.604128013178388,
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  "14": 2.346204919370559,
  "9": 2.3367228006870757,
  "37": 2.308026143987447,
  "29": 2.301947539105973,
  "32": 2.2716702529157273,
  "38": 2.1830536508709364,
  "30": 2.1065848348833716,
  "34": 1.9973301064618678,
  "39": 1.7784395313229864,
  "31": 1.777622040226895,
  "36": 1.533162117096313
 }
}