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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401362 135051049 1 BClNSF4H13C15 ABCDE4F13G15 -296.45 11.24 -9.77 -2.52 1
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401363 135051050 1 ClNSH13C15 ABCD13E15 40.39 2.95 0.0 0.0 0
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401364 135051053 1 ON2H18C28 AB2C18D28 131.82 7.63 -9.69 -1.38 0
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401365 135051055 1 BrNSiO2C23H32 ABCD2E23F32 -92.53 2.92 -8.41 -0.22 0
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401366 135051056 1 NO4H17C19 AB4C17D19 -99.6 2.19 -8.83 -1.18 0
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401367 135051065 1 NOPCl3H15C21 ABCD3E15F21 20.15 3.49 -9.41 -0.56 -1
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401368 135051070 1 BNC21H31 ABC21D31 8.39 6.8 0.0 0.0 -1
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401369 135051071 1 BNC22H31 ABC22D31 9.03 6.69 0.0 0.0 0
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401370 135051072 1 BrClHgNSO2H9C14 ABCDEF2G9H14 111.44 17.64 -7.27 -2.91 0
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401371 135051073 1 N2O3H20C24 A2B3C20D24 -26.51 3.01 -8.39 -1.24 0
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401372 135051086 1 NSO5C13H15 ABC5D13E15 -177.27 4.04 -8.7 -0.46 0
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401373 135051087 1 SO2C5N5H11 AB2C5D5E11 4.57 6.33 -9.18 -1.12 0
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401374 135051088 1 ClNSH12C15 ABCD12E15 107.78 2.84 -8.54 -0.85 0
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401375 135051090 1 N2O5C14H14 A2B5C14D14 -76.97 4.46 -9.8 -1.4 0
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401376 135051091 1 ClNO2C19H20 ABC2D19E20 -36.39 1.47 -8.7 -0.14 0
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401377 135051094 1 NSiO2C34H47 ABC2D34E47 -99.88 2.07 -8.35 0.23 0
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401378 135051095 1 NNaO2S2C6H6 ABC2D2E6F6 -85.27 8.02 -8.24 -0.34 0
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401379 135051096 2 CHKOSN2 ABCDEF2 -87.68 6.72 -7.52 -0.16 0
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401380 135051104 1 NSO7C21H29 ABC7D21E29 -257.94 3.71 -9.03 -0.89 1
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401381 135051105 1 OSN3C15H18 ABC3D15E18 29.75 4.42 0.0 0.0 0
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401382 135051106 1 BrNC17H20 ABC17D20 35.99 12.51 -7.84 -0.67 0
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401383 135051108 1 PRuN2O2F6H11C13 ABC2D2E6F11G13 -150.15 14.55 -6.82 -2.94 0
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401384 135051119 1 NSO2H13C15 ABC2D13E15 -16.1 6.57 -9.15 -1.04 0
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401385 135051120 2 ClNOSC9H9 ABCDE9F9 -74.2 8.28 -8.67 -1.3 1
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401386 135051121 1 NOSC10H12 ABCD10E12 -20.37 3.67 0.0 0.0 0
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401387 135051122 1 SN4H14C15 AB4C14D15 112.94 5.99 -9.13 -0.93 0
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401388 135051125 1 NSiO2C23H33 ABC2D23E33 -97.98 1.34 -8.28 0.25 0
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401389 135051126 1 NSiO2C19H31 ABC2D19E31 -103.45 1.22 -8.28 0.39 0
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401390 135051130 1 NO3C13H13 AB3C13D13 -62.53 5.4 -8.57 -0.38 0
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401391 135051137 1 PRuN2O2F6H11C13 ABC2D2E6F11G13 -216.11 27.85 -9.85 -4.35 0
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401392 135051139 1 ClNF3O3H9C11 ABC3D3E9F11 -258.83 7.15 -9.57 -1.3 0
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401393 135051144 1 ClNO4C15H18 ABC4D15E18 -149.06 4.0 -8.86 -0.47 0
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401394 135051146 1 NSO5C16H19 ABC5D16E19 -153.58 4.36 -8.91 -0.9 0
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401395 135051151 2 NOSC9H14 ABCD9E14 -43.95 2.52 -8.72 -0.58 0
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401396 135051156 2 NH10C11 AB10C11 108.42 2.97 -9.34 -0.03 0
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401397 135051162 1 NOSH13C15 ABCD13E15 49.26 2.65 -8.96 -0.62 0
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401398 135051167 1 NK2O4H7C12 AB2C4D7E12 -229.41 10.87 -8.08 -0.5 0
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401399 135051173 1 SN2O3C15H20 AB2C3D15E20 -54.55 6.49 -8.84 -0.96 0
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401400 135051175 1 SO2N4C11H18 AB2C4D11E18 -24.73 4.56 -8.54 -0.93 0
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401401 135051176 2 NSO2C10H12 ABC2D10E12 -125.31 7.8 -8.71 -1.77 0
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401402 135051177 1 NPCl4O4H20C27 ABC4D4E20F27 81.78 11.95 -10.06 -2.5 0
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401403 135051180 1 NO4C15H23 AB4C15D23 -204.9 4.54 -8.43 0.86 0
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401404 135051181 1 ClNO3H12C14 ABC3D12E14 15.64 2.62 -10.06 -1.46 0
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401405 135051183 1 NSiO5C17H29 ABC5D17E29 -245.46 3.38 -9.56 -0.02 0
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401406 135051184 1 NOC18H19 ABC18D19 3.54 1.47 -8.66 -0.07 0
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401407 135051186 1 SN2O4C10H12 AB2C4D10E12 -68.1 7.54 -9.9 -1.34 1
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401408 135051188 1 N3H8C9 A3B8C9 97.93 3.64 0.0 0.0 0
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401409 135051189 1 NO2H15C16 AB2C15D16 -5.53 4.17 -8.08 -0.31 0
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401410 135051195 1 NC23H25 AB23C25 47.14 1.66 -8.04 -0.32 0
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401411 135051196 1 BrSO2N3C8H10 ABC2D3E8F10 11.99 13.61 -8.31 -0.86 0