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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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232604 87576503 1 GeNO2C8H21 ABC2D8E21 -137.56 1.48 -9.43 1.18 0
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232605 87576505 1 N2O3C36H72 A2B3C36D72 -288.53 2.3 -9.77 0.42 0
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232608 87576510 2 OSN3C18H20 ABC3D18E20 53.04 1.98 -7.6 -1.39 0
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232609 87576512 1 ClO2N6C23H31 AB2C6D23E31 -61.36 4.79 -8.76 -0.15 0
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232610 87576514 2 NC7H8 AB7C8 123.92 5.24 -8.17 0.29 0
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232611 87576516 1 BrNO2C8H8 ABC2D8E8 -58.24 2.58 -9.17 -0.65 0
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232612 87576517 1 NPbC8H18 ABC8D18 8.31 3.03 0.0 0.0 0
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232613 87576518 1 SO7C16H30 AB7C16D30 -361.82 4.16 -11.08 -0.55 0
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232614 87576521 1 NNaSO5C10H13 ABCD5E10F13 -243.49 10.45 0.0 0.0 0
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232615 87576523 1 ClSO4N6H21C22 ABC4D6E21F22 -17.56 11.02 -9.28 -1.31 -1
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232616 87576524 1 FCl2S2N11O14C85H91 AB2C2D11E14F85G91 -464.58 21.59 0.0 0.0 0
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232617 87576526 1 SN3O4C16H17 AB3C4D16E17 -74.55 4.7 -9.54 -1.61 0
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232618 87576528 1 FO3N4C25H27 AB3C4D25E27 -124.5 6.84 -8.55 -1.24 0
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232619 87576529 1 NSiS2O4C9H17 ABC2D4E9F17 -250.33 3.92 -8.45 -0.63 0
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232620 87576536 1 CCoFeHN ABCDE 151.7 20.24 0.0 0.0 0
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232621 87576545 1 ClN2C12H15 AB2C12D15 8.77 4.04 -10.01 -0.6 0
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232622 87576549 1 CCdSN3H5 ABCD3E5 47.31 5.95 -8.55 0.14 0
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232623 87576550 1 AgSC12H25 ABC12D25 -72.77 17.39 -8.88 -4.53 0
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232624 87576551 1 OSeC12H14 ABC12D14 -25.97 2.01 -8.04 -0.15 0
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232625 87576554 1 NO2C13H29 AB2C13D29 -150.47 4.61 -9.76 2.4 0
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232626 87576555 1 NO2C13H29 AB2C13D29 -152.46 2.23 -9.31 1.85 0
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232627 87576558 1 BrNOC2H6 ABCD2E6 -53.87 2.44 -9.43 -0.27 0
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232628 87576566 1 Cl2C11H22 A2B11C22 -83.92 2.49 -10.54 0.78 0
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232629 87576570 2 NO2C4H8 AB2C4D8 -193.46 4.71 -10.16 -0.02 0
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232630 87576572 1 BaOC7H8 ABC7D8 -145.41 1.49 -6.07 -0.42 0