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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407673 135080424 1 O3C12H14 A3B12C14 -114.68 4.48 -10.12 -0.88 0
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407674 135080425 1 O3C12H14 A3B12C14 -86.47 2.96 -9.0 -0.19 0
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407675 135080426 1 NO2H9C11 AB2C9D11 -13.87 6.0 -9.65 -0.6 0
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407676 135080427 1 NOBr2C12H13 ABC2D12E13 -28.27 3.15 -8.95 -0.59 0
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407677 135080428 1 SF2C8H14 AB2C8D14 -142.95 1.21 -9.17 0.06 1
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407678 135080429 1 NC14H14 AB14C14 58.73 2.07 0.0 0.0 0
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407679 135080430 1 OSC12H14 ABC12D14 25.89 4.83 -8.37 -0.17 0
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407680 135080431 1 O4C13H22 A4B13C22 -146.7 5.57 -9.11 -0.44 0
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407681 135080432 1 NOC14H23 ABC14D23 -75.44 6.11 -8.51 0.38 0
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407682 135080433 1 ON3C11H13 AB3C11D13 68.37 1.92 -9.72 -0.42 0
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407683 135080434 1 O2C13H20 A2B13C20 -84.6 2.14 -10.22 0.02 0
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407684 135080435 1 ON2C9H10 AB2C9D10 -8.96 0.58 -8.84 -0.32 0
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407685 135080436 1 OC13H18 AB13C18 -6.88 2.59 -9.95 -0.16 0
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407686 135080437 1 OS2C11H22 AB2C11D22 -62.26 4.72 -8.24 0.49 0
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407687 135080438 3 C5H6 A5B6 52.88 0.21 -8.41 -0.13 0
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407688 135080439 1 OSH10C13 ABC10D13 16.9 3.57 -9.14 -0.6 0
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407689 135080440 1 ON2C11H12 AB2C11D12 -12.43 3.28 -9.05 -0.55 0
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407690 135080442 2 OC4H7 AB4C7 -77.88 1.36 -8.74 1.23 0
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407691 135080443 1 NC13H17 AB13C17 34.94 1.3 -8.72 -0.45 0
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407693 135080445 3 OC4H6 AB4C6 -59.26 1.55 -9.27 0.13 0
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407694 135080446 1 ON2C11H16 AB2C11D16 28.47 8.84 -8.6 -0.12 0
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407695 135080449 1 BrFC8H10 ABC8D10 -1.76 2.42 -10.38 -0.44 0
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407696 135080451 1 FIC15H18 ABC15D18 -21.43 2.51 -9.47 -0.8 0
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407697 135080452 1 SCl2O2F4C6H6 AB2C2D4E6F6 -270.27 8.19 -9.27 -0.72 0
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407698 135080453 4 ClC2H3 AB2C3 -70.63 1.54 -10.75 -0.71 0
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407699 135080454 1 ClN2C12H13 AB2C12D13 36.9 3.91 -9.21 -0.12 0
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407700 135080455 1 O3C13H18 A3B13C18 -138.58 1.3 -8.81 -0.04 0
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407701 135080456 1 O4C11H12 A4B11C12 -139.42 3.34 -10.17 -0.87 0
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407702 135080457 2 O2C5H7 A2B5C7 -174.46 3.28 -10.14 -0.43 0
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407703 135080458 1 O2C13H20 A2B13C20 -84.73 4.4 -9.21 -0.2 0
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407704 135080459 1 O2N5C9H13 A2B5C9D13 17.74 3.92 -9.1 -0.96 0
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407705 135080460 1 PSO2C9H17 ABC2D9E17 -140.82 5.82 -8.89 0.17 0
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407706 135080461 1 IO2C12H13 AB2C12D13 -42.09 0.79 -9.56 -0.76 0
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407707 135080462 1 NSO3H9C11 ABC3D9E11 1.75 6.73 -9.59 -1.38 0
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407708 135080463 1 O3C13H22 A3B13C22 -159.14 6.34 -9.79 0.44 0
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407709 135080464 2 OC6H8 AB6C8 -68.11 4.33 -9.57 -0.31 0
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407710 135080465 1 O2N3C13H17 A2B3C13D17 -51.74 1.19 -8.18 0.16 0
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407711 135080466 1 NSO2C9H11 ABC2D9E11 -41.96 1.71 -9.51 -1.27 0
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407712 135080467 1 ClO2C13H13 AB2C13D13 -52.82 2.76 -9.68 -0.83 0
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407713 135080468 1 ClO2H11C12 AB2C11D12 -44.27 3.86 -9.53 -1.19 0
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407714 135080469 1 NOC11H21 ABC11D21 -79.05 3.42 -9.57 0.34 0
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407715 135080470 1 KO2N4H5C7 AB2C4D5E7 -59.35 8.51 -9.44 -0.64 0
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407716 135080471 1 O2C9H14 A2B9C14 -44.45 2.51 -9.86 -0.15 0
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407717 135080472 2 ClOC4H6 ABC4D6 -135.63 2.35 -10.84 0.05 0
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407718 135080473 2 OC6H10 AB6C10 -120.83 5.16 -9.49 0.36 0
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407719 135080474 1 FN2O3C9H11 AB2C3D9E11 -140.82 2.41 -10.24 -1.0 0
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407720 135080475 1 O3C11H16 A3B11C16 -102.09 3.99 -9.44 -0.19 0
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407721 135080476 1 NO2C14H21 AB2C14D21 -57.85 2.69 -8.58 0.33 0
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407722 135080477 1 FNOC13H16 ABCD13E16 -81.28 5.08 -9.42 0.12 0
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407723 135080478 1 INC15H22 ABC15D22 22.44 1.63 -9.13 -0.81 0