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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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183290 77001525 1 O2N4C15H22 A2B4C15D22 -31.85 3.56 -8.9 -0.52 0
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183291 77001526 1 O3N4C13H18 A3B4C13D18 -77.3 6.44 -8.96 -0.19 0
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183292 77002971 1 N4C13H22 A4B13C22 55.2 4.47 -8.75 0.09 0
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183293 77003161 1 ON5C15H19 AB5C15D19 64.4 3.11 -8.34 -0.28 0
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183294 77003776 1 ClSN2O3H9C13 ABC2D3E9F13 -48.67 4.77 -9.67 -1.64 0
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183295 77003777 1 O3N5C13H17 A3B5C13D17 -49.32 6.83 -8.75 -1.37 0
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183296 77003778 1 ClN2O3H11C15 AB2C3D11E15 -62.95 1.83 -9.64 -1.25 0
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183297 77003779 1 SN2O3H12C14 AB2C3D12E14 -54.59 1.48 -9.18 -1.24 0
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183298 77003789 1 FN2O3C15H15 AB2C3D15E15 -81.27 5.29 -8.97 -0.87 0
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183299 77003976 1 S3O4C11H14 A3B4C11D14 -136.13 10.06 -9.18 -1.4 0
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183300 77004391 1 FO2N3C14H14 AB2C3D14E14 -32.57 4.01 -8.86 -0.55 0
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183301 77004469 1 FON3C15H22 ABC3D15E22 -38.36 2.18 -8.48 -0.26 0
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183302 77004742 1 SO3C12H14 AB3C12D14 -97.45 4.4 -9.62 -0.72 0
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183303 77005369 1 O3N5C12H15 A3B5C12D15 -56.21 4.07 -9.51 -1.27 0
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183304 77005370 1 O2N4C15H20 A2B4C15D20 -13.89 3.18 -9.4 -1.09 0
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183305 77005371 1 O3N4C13H20 A3B4C13D20 -58.29 3.78 -9.37 -0.93 0
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183306 77005665 1 OSN2C7H10 ABC2D7E10 17.55 1.48 -9.09 -0.17 0
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183307 77005666 1 OSN3C11H19 ABC3D11E19 13.24 1.39 -8.86 -0.07 0
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183308 77005866 1 NO2C11H19 AB2C11D19 -103.13 4.17 -8.87 -0.18 0
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183309 77005867 1 NO2C9H15 AB2C9D15 -89.08 6.83 -9.34 -0.08 0
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183310 77005868 1 NO3C9H15 AB3C9D15 -124.54 5.24 -9.24 -0.23 0
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183311 77006021 1 N2O2C13H26 A2B2C13D26 -101.93 3.52 -8.48 -0.27 0
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183312 77006022 1 NO2F3C10H14 AB2C3D10E14 -226.78 5.55 -9.86 -0.46 0
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183313 77006023 1 NO2F3C10H16 AB2C3D10E16 -255.26 8.32 -9.31 -0.75 0
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183314 77006033 1 BrN2O5H11C13 AB2C5D11E13 -153.19 4.01 -9.26 -1.23 0
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183315 77006034 1 BrClN2O3H10C12 ABC2D3E10F12 -97.0 4.55 -10.12 -1.16 0
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183316 77006035 1 BrN2O5C13H13 AB2C5D13E13 -178.68 5.73 -10.01 -1.3 0
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183317 77006090 1 BrF2N2O2H9C11 AB2C2D2E9F11 -154.81 3.03 -10.27 -1.24 0
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183318 77006668 1 ClON5C12H18 ABC5D12E18 15.34 0.6 -8.98 -0.16 0
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183319 77006669 1 BrON5C12H18 ABC5D12E18 27.7 0.31 -8.93 -0.21 0
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183320 77006816 1 NSO3C16H19 ABC3D16E19 -103.79 3.34 -9.35 -0.5 0
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183321 77006817 1 NS2O3C14H17 AB2C3D14E17 -99.73 3.44 -9.14 -1.07 0
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183322 77007453 1 N3O6C7H9 A3B6C7D9 -170.99 5.88 -10.77 -1.0 1
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183323 77007454 1 N3O6C10H12 A3B6C10D12 -143.59 7.7 0.0 0.0 0
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183324 77007494 1 SO4N6C7H8 AB4C6D7E8 -33.91 5.78 -9.68 -1.18 0
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183325 77007763 1 NSO4C14H17 ABC4D14E17 -105.2 8.52 -9.49 -1.45 0
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183326 77007884 1 SN2O4C14H18 AB2C4D14E18 -148.8 5.45 -9.65 -1.46 0
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183327 77008132 2 NOC7H9 ABC7D9 -30.5 3.97 -8.38 -0.66 0
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183328 77008456 1 O2N3H13C14 A2B3C13D14 21.88 2.72 -8.73 -0.87 0
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183329 77008457 1 N3O3H13C14 A3B3C13D14 -12.35 2.94 -8.88 -0.86 0
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183330 77008882 1 O2N3C16H19 A2B3C16D19 -48.66 3.63 -9.56 -1.0 0
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183331 77008944 1 O2N3C9H13 A2B3C9D13 -53.28 4.17 -9.74 -0.65 0
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183332 77009242 1 N2O2S2C15H20 A2B2C2D15E20 -49.89 5.86 -8.89 -1.55 0
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183333 77009250 1 N2O2S2C13H16 A2B2C2D13E16 -30.0 3.68 -9.16 -1.97 0
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183334 77009543 1 N3O3C14H27 A3B3C14D27 -126.4 2.68 -9.35 0.34 0
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183335 77009544 1 O2N3C14H29 A2B3C14D29 -100.19 2.18 -9.27 0.62 0
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183336 77009708 1 O2N4H12C13 A2B4C12D13 38.25 2.87 -8.53 -1.23 0
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183337 77009759 1 N2F3O3C11H11 A2B3C3D11E11 -210.19 2.57 -8.42 -1.12 0
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183338 77009760 1 O2N3C15H15 A2B3C15D15 16.74 5.05 -8.76 -0.85 0
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183339 77009844 1 FO2N3H10C13 AB2C3D10E13 -12.14 5.07 -8.82 -1.09 0