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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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169316 75088821 1 N3O3C4H7 A3B3C4D7 -100.02 4.08 -10.58 -0.31 0
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169317 75088822 1 ON3C7H7 AB3C7D7 17.11 6.49 -9.51 -1.22 0
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169318 75088858 1 FON2H3C5 ABC2D3E5 -12.32 3.36 -10.51 -2.2 0
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169319 75088859 1 FON2H5C6 ABC2D5E6 -25.05 2.76 -10.32 -1.99 0
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169320 75088989 2 NOC4H6 ABC4D6 -62.81 3.25 -9.22 0.26 0
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169321 75089221 1 FNC10H12 ABC10D12 -19.58 3.26 -9.44 -0.06 0
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169322 75089222 1 FO2C7H11 AB2C7D11 -150.12 2.9 -10.16 0.07 0
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169323 75089223 1 FNO2C6H10 ABC2D6E10 -113.55 2.79 -9.13 1.32 0
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169324 75089495 2 NO2C4H7 AB2C4D7 -149.52 5.47 -9.74 0.33 0
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169325 75089496 1 ON3C11H13 AB3C11D13 64.93 7.15 -9.61 -0.68 0
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169326 75089497 1 NO3H7C11 AB3C7D11 -48.86 5.61 -10.12 -2.02 0
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169327 75089498 1 NO2C12H19 AB2C12D19 -27.47 4.32 -8.96 -1.07 0
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169328 75089853 1 N3O8C20H23 A3B8C20D23 -249.82 4.11 -9.2 -0.54 0
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169329 75090001 1 O2S6C25H30 A2B6C25D30 -5.01 1.78 -7.87 -1.56 0
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169331 75090056 1 O9C34H38 A9B34C38 -338.09 5.06 -9.92 -0.49 0
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169333 75090058 1 PN5O7C37H60 AB5C7D37E60 -328.12 4.35 -8.37 -0.28 0
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169334 75090059 1 ClN3O9H22C24 AB3C9D22E24 -275.12 5.01 -10.07 -1.58 0
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169335 75090060 1 NSO6C8H13 ABC6D8E13 -146.68 3.3 -8.84 -1.38 0
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169336 75090061 1 N2O7C19H24 A2B7C19D24 -275.16 4.56 -8.67 -0.62 0
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169337 75090062 2 NO4C8H9 AB4C8D9 -320.3 6.26 -9.13 -1.1 0
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169338 75090063 2 NO4C11H11 AB4C11D11 -284.91 9.08 -9.31 -0.9 0
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169339 75090079 1 ClO5C30H33 AB5C30D33 -176.36 6.31 -9.86 -0.56 0
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169341 75090081 1 ClO6C22H27 AB6C22D27 -248.02 3.95 -9.14 -0.71 0
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169342 75090199 1 O7C16H26 A7B16C26 -282.32 4.84 -8.52 0.48 0
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169343 75090200 2 O3C9H14 A3B9C14 -225.74 4.42 -8.68 0.31 0
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169344 75090411 2 NO2C12H18 AB2C12D18 -149.18 4.66 -9.22 -0.02 0
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169345 75090412 2 NO2C18H22 AB2C18D22 -98.35 5.23 -9.09 0.01 0
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169346 75090731 1 O11N14C55H74 A11B14C55D74 -389.76 9.36 -8.46 -0.81 1
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169347 75091009 1 NO4H48C52 AB4C48D52 34.58 2.29 0.0 0.0 0
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169348 75091010 1 N2O4C23H30 A2B4C23D30 -157.43 5.83 -8.61 -0.24 0
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169349 75091011 1 SN3O8C28H33 AB3C8D28E33 -184.25 9.8 -8.94 -1.54 0
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169350 75091017 1 BrClO3C21H22 ABC3D21E22 -139.47 5.47 -9.79 -1.06 0
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169351 75091405 1 NO7C34H39 AB7C34D39 -192.16 2.24 -8.64 -0.98 0
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169352 75091450 1 PO9C42H73 AB9C42D73 -539.2 5.09 -8.73 -0.78 0
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169353 75091456 1 BrON3C17H18 ABC3D17E18 24.32 7.03 -9.09 -0.14 0
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169354 75091457 1 O2N3C18H21 A2B3C18D21 -21.42 2.62 -8.67 -0.04 0
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169355 75091615 1 ClN2F5O12H30C31 AB2C5D12E30F31 -722.96 4.6 -9.87 -1.24 0
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169356 75092446 1 O3N5C24H29 A3B5C24D29 -52.89 2.33 -9.03 -0.64 0
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169357 75092505 1 N5O5C14H15 A5B5C14D15 -118.56 4.0 -8.72 -0.52 0
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169358 75092506 1 SO4N7C28H31 AB4C7D28E31 10.39 3.32 -9.27 -1.13 0
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169359 75092507 1 O8N9C28H43 A8B9C28D43 -337.23 9.99 -9.42 -0.47 0
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169360 75092544 1 PSN6O10C22H35 ABC6D10E22F35 -434.32 10.78 -9.68 -0.99 0
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169361 75092545 1 FSN8C24H33 ABC8D24E33 64.62 6.85 -8.35 -0.43 0
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169362 75092912 1 NO7C22H33 AB7C22D33 -333.58 5.53 -9.12 -0.62 0
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169363 75093153 1 Si3O4N5C35H59 A3B4C5D35E59 -259.84 2.1 -8.39 -0.55 0
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169364 75093154 1 FO2N4C11H13 AB2C4D11E13 -89.17 4.22 -8.61 -0.24 0
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169365 75093155 1 F2O2N4C11H12 A2B2C4D11E12 -128.42 4.14 -8.64 -0.45 0
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169366 75093156 1 FO3N4C11H13 AB3C4D11E13 -128.29 2.41 -8.67 -0.6 0
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169367 75093157 1 F2O2N4C11H12 A2B2C4D11E12 -130.68 1.61 -8.72 -0.66 0
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169368 75093158 1 F2O2N4C11H12 A2B2C4D11E12 -131.02 2.76 -8.56 -0.43 0