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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168357 74957234 1 O2N3C15H21 A2B3C15D21 -23.44 4.43 -8.1 -0.42 0
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168358 74957235 1 O2N3C18H23 A2B3C18D23 -31.27 6.18 -8.68 -0.64 0
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168359 74957236 1 N2O3H12C17 A2B3C12D17 11.47 5.98 -9.27 -1.42 0
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168360 74957237 1 ON4H12C17 AB4C12D17 136.94 7.95 -9.15 -1.84 0
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168361 74957238 1 Cl2N2O3H12C14 A2B2C3D12E14 -42.02 3.61 -8.48 -1.45 0
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168362 74957239 1 O3C22H22 A3B22C22 -70.95 5.16 -9.65 -0.92 0
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168363 74957240 1 ClO2N3H8C15 AB2C3D8E15 29.62 5.07 -8.66 -1.6 0
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168364 74957243 1 ON6H28C30 AB6C28D30 137.07 7.77 -8.43 -1.1 0
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168365 74957246 1 FSCl2N5O5C28H30 ABC2D5E5F28G30 -202.17 5.48 -9.11 -1.28 -4
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168366 74957833 1 CoN11O15C55H68 AB11C15D55E68 -279.31 35.65 -8.46 -4.08 0
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168367 74958001 1 SO4N6C35H50 AB4C6D35E50 -145.66 4.68 -7.94 0.11 0
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168368 74958010 1 ClSN3O4C53H58 ABC3D4E53F58 -36.6 0.46 -8.65 -1.12 0
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168369 74958024 2 FON2C11H15 ABC2D11E15 -141.1 2.89 -9.02 0.06 0
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168370 74958461 1 BrO2N3H12C17 AB2C3D12E17 30.15 5.3 -8.88 -1.67 1
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168373 74959017 1 FN5O5C27H32 AB5C5D27E32 -210.33 4.81 -8.7 -0.77 0
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168374 74959083 1 SCl2N6O6C40H54 AB2C6D6E40F54 -301.84 6.69 -9.49 -0.75 0
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168375 74959794 1 N2O2H16C17 A2B2C16D17 -15.63 2.73 -9.62 -0.4 0
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168376 74959795 1 O2N5H13C16 A2B5C13D16 124.45 13.86 -8.94 -1.96 0
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168377 74959796 1 NO4H17C19 AB4C17D19 -70.11 3.28 -9.74 -0.22 0
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168378 74959797 2 N2O3H16C17 A2B3C16D17 -91.61 7.63 -9.35 -1.1 0
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168379 74959798 2 N2O2C6H7 A2B2C6D7 -90.43 5.37 -8.97 -1.23 0
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168380 74959799 1 SO4C22H30 AB4C22D30 -148.38 4.36 -8.61 0.14 1
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168381 74959822 1 NC25H32 AB25C32 58.12 2.83 0.0 0.0 0
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168382 74959823 2 O2C15H25 A2B15C25 -254.47 3.54 -9.26 0.43 0
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168383 74959824 5 OC6H10 AB6C10 -301.89 4.9 -9.39 0.62 0
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168384 74960069 1 O3C12H20 A3B12C20 -151.36 1.66 -9.72 1.16 0
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168385 74960076 1 S3N4H18C30 A3B4C18D30 235.21 5.58 -8.39 -1.75 4
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168386 74960102 1 PtN2O2C15H22 AB2C2D15E22 20.99 6.71 -8.91 -2.64 0
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168387 74960103 1 PtN2O4C16H20 AB2C4D16E20 100.63 14.1 -9.37 -3.6 4
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168388 74960104 1 PtN2O4C15H22 AB2C4D15E22 -44.54 13.71 -7.31 -2.42 0
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168389 74960802 1 SP3N7O19C39H64 AB3C7D19E39F64 -1024.5 7.71 -9.51 -0.94 0
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168390 74960803 2 OC11H16 AB11C16 -92.0 1.08 -8.37 0.13 0
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168391 74961072 1 O3C25H26 A3B25C26 -71.23 3.21 -9.02 -1.82 0
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168392 74961433 1 NO5C19H25 AB5C19D25 -194.72 4.43 -9.05 -0.59 0
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168393 74961434 1 NF3O4C19H22 AB3C4D19E22 -315.09 5.46 -10.36 -1.12 0
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168394 74961435 1 NO4C19H25 AB4C19D25 -163.17 2.93 -9.42 -0.6 0
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168395 74961748 2 O4C10H13 A4B10C13 -325.84 2.37 -9.69 -0.36 0
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168396 74961749 1 Cl2O4N5C15H27 A2B4C5D15E27 -243.01 6.88 -9.17 0.35 0
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168397 74961789 1 N2O6C23H26 A2B6C23D26 -207.86 4.53 -9.84 -0.26 0
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168398 74962344 1 Cl2F3N3O3H22C25 A2B3C3D3E22F25 -222.78 3.49 -9.8 -1.44 0
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168399 74962345 1 O12C41H66 A12B41C66 -606.96 6.07 -9.59 0.84 0
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168400 74962346 2 NO2C8H9 AB2C8D9 -102.78 5.83 -9.3 -1.1 0
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168401 74962578 1 NO3C24H47 AB3C24D47 -187.19 4.95 -9.57 0.5 0
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168402 74962579 1 NOCl2C26H49 ABC2D26E49 -155.57 2.93 -9.56 0.5 0
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168403 74962696 1 O2N4C25H32 A2B4C25D32 -24.42 6.54 -8.43 -0.72 0
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168404 74962846 2 N5O7C29H46 A5B7C29D46 -653.07 8.43 -9.24 -1.54 0
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168405 74963662 1 NO2C10H11 AB2C10D11 -50.62 2.75 -9.21 -0.51 0
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168406 74964205 1 F3N3O7C28H32 A3B3C7D28E32 -399.34 10.83 -9.5 -0.32 0
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168407 74965043 1 SN3F4O8C26H27 AB3C4D8E26F27 -488.27 11.1 -10.07 -1.37 0
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168408 74965109 1 F3N4O7C27H29 A3B4C7D27E29 -404.89 4.83 -8.79 -1.24 0