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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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177303 76164357 1 N4O4C27H28 A4B4C27D28 -108.08 3.65 -8.94 -0.85 0
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177304 76164616 1 N3O3C23H33 A3B3C23D33 -35.64 3.45 -8.7 -0.27 0
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177305 76164649 1 N2O5C22H26 A2B5C22D26 -172.56 2.97 -8.54 -0.56 0
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177306 76164675 2 N3O3C21H29 A3B3C21D29 -179.0 8.72 -8.19 -0.45 0
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177307 76164803 2 N3O4C23H31 A3B4C23D31 -62.59 6.11 -8.47 -0.58 0
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177308 76164952 2 N2O2C15H17 A2B2C15D17 -90.97 5.69 -8.86 -0.44 0
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177309 76165249 1 N3O4C27H33 A3B4C27D33 -65.47 9.14 -8.49 -0.42 0
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177310 76165345 1 SN3O4C27H29 AB3C4D27E29 -31.23 9.57 -7.93 -1.76 0
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177311 76165346 1 FSN2O4C25H25 ABC2D4E25F25 -117.15 4.73 -6.9 -1.03 0
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177312 76166058 1 FN4O6C30H39 AB4C6D30E39 -268.11 5.19 -9.24 -0.28 0
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177313 76166094 1 FSO3N5C23H30 ABC3D5E23F30 -123.94 6.03 -8.76 -0.62 0
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177314 76166182 1 NO3F5C26H34 AB3C5D26E34 -408.37 5.46 -9.86 -0.62 0
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177315 76166372 1 NSO2F5C35H42 ABC2D5E35F42 -302.89 1.5 -8.64 0.16 0
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177316 76166474 1 NSSiO2C25H39 ABCD2E25F39 -95.5 4.82 -8.08 0.16 0
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177317 76166889 1 N3O5C35H49 A3B5C35D49 -185.18 5.53 -8.92 -0.49 0
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177318 76167001 1 F3O3C17H21 A3B3C17D21 -302.71 4.38 -10.19 -0.6 0
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177319 76167077 1 SiO8C23H42 AB8C23D42 -414.12 5.93 -8.65 -0.3 0
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177320 76167300 1 ClFON4C22H22 ABCD4E22F22 -7.09 6.45 -8.42 -0.35 0
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177321 76167301 1 O2N5C18H21 A2B5C18D21 -25.5 4.1 -9.53 -1.37 0
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177322 76167302 1 O2N5C18H21 A2B5C18D21 -26.06 1.63 -9.44 -1.28 0
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177323 76167303 1 ON4C14H18 AB4C14D18 14.16 3.52 -9.38 -0.95 0
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177324 76167304 1 ON4C16H22 AB4C16D22 2.4 3.44 -9.3 -0.94 0
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177325 76167305 1 O2N4C17H24 A2B4C17D24 -45.73 4.78 -9.39 -1.02 0
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177326 76167306 2 NO8C25H42 AB8C25D42 -710.86 2.49 -7.45 -0.2 0
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177327 76167307 1 N2O16C51H86 A2B16C51D86 -756.82 6.03 -8.62 0.54 0
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177328 76167449 1 F3N7O7C30H34 A3B7C7D30E34 -308.21 7.38 -9.07 -0.68 0
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177329 76167786 1 NOC42H75 ABC42D75 -91.47 2.33 -8.6 1.16 0
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177330 76167987 1 ON2C19H20 AB2C19D20 8.39 4.57 -9.03 -0.14 1
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177331 76168279 1 N2O4C15H17 A2B4C15D17 -77.52 1.74 0.0 0.0 0
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177332 76168280 1 N2O6C13H14 A2B6C13D14 -160.56 5.45 -10.59 -1.68 0
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177333 76168409 1 N3O4C9H13 A3B4C9D13 -76.63 3.39 -9.64 -0.94 0
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177334 76168811 1 FO4N5C24H28 AB4C5D24E28 -170.3 8.48 -9.59 -1.12 0
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177335 76168947 1 NO6C25H35 AB6C25D35 -227.18 4.4 -8.59 -1.2 0
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177336 76169172 1 N3O3C17H21 A3B3C17D21 -87.8 3.12 -9.0 -0.88 0
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177337 76169173 1 SO3N4C15H18 AB3C4D15E18 -75.14 5.22 -9.94 -1.07 0
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177338 76169174 1 NO3C20H23 AB3C20D23 -110.94 5.56 -8.98 -0.67 0
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177339 76169239 1 N5O12C36H49 A5B12C36D49 -503.24 9.34 -9.03 -1.65 0
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177340 76169313 1 N4O5H24C32 A4B5C24D32 -46.09 6.43 -8.43 -1.08 0
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177341 76169785 1 N2O7H26C27 A2B7C26D27 -236.16 4.54 -8.76 -1.23 0
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177342 76170050 4 O3C5H8 A3B5C8 -525.38 5.07 -10.25 -1.4 0
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177343 76170139 1 SO2N3H13C15 AB2C3D13E15 -1.94 5.12 -9.17 -1.4 0
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177344 76170140 1 BrFN3O3H11C17 ABC3D3E11F17 -31.32 9.45 -8.98 -2.02 0
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177345 76170368 1 O3N5H19C20 A3B5C19D20 16.83 8.72 -8.74 -1.31 0
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177346 76171775 1 BrNSO4H8C14 ABCD4E8F14 -89.87 3.69 -9.56 -1.45 0
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177347 76171776 1 ClSN2O5H13C16 ABC2D5E13F16 -136.74 7.11 -9.39 -1.12 0
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177348 76171794 1 SO2N5H15C18 AB2C5D15E18 94.05 6.65 -9.37 -0.8 0
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177349 76171910 1 NO7C21H23 AB7C21D23 -254.22 7.97 -9.38 -0.39 1
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177350 76172327 1 N3F4O4H12C16 A3B4C4D12E16 -301.55 6.55 0.0 0.0 0
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177351 76172415 1 SN3O7C21H25 AB3C7D21E25 -195.0 6.08 -8.54 -0.67 0
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177352 76172553 1 BrN2O4H7C11 AB2C4D7E11 -22.87 9.46 -10.0 -2.15 0