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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412679 135085593 1 ClZnO2C9H9 ABC2D9E9 -10.18 4.53 -7.86 -1.92 0
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412680 135085594 1 IO2C11H13 AB2C11D13 -52.26 1.35 -9.46 -1.19 1
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412681 135085595 1 BPF2H9C12 ABC2D9E12 69.83 4.12 0.0 0.0 0
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412682 135085596 1 SF3O3C9H11 AB3C3D9E11 -258.77 2.57 -9.98 -1.37 0
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412683 135085597 1 BrNO2C10H12 ABC2D10E12 -69.77 3.36 -9.6 -0.34 0
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412684 135085598 1 ClHgC9H11 ABC9D11 66.09 7.65 -7.98 -1.74 0
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412685 135085599 1 NOSC12H13 ABCD12E13 3.58 3.64 -9.69 -0.41 0
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412686 135085600 1 BrFO2C10H10 ABC2D10E10 -82.54 3.07 -8.59 -0.41 0
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412687 135085601 1 O2C11H12 A2B11C12 -1.63 4.23 -8.6 -0.06 0
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412688 135085602 1 BrMgC11H11 ABC11D11 15.85 2.05 -9.02 -0.35 0
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412689 135085603 2 OC5H9 AB5C9 -97.6 2.87 -10.09 1.98 0
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412690 135085604 2 OC7H12 AB7C12 -118.47 2.15 -9.55 0.18 0
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412691 135085605 1 NS2C5H5 AB2C5D5 69.51 4.02 -8.71 -0.34 0
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412692 135085606 1 LiNO3C12H12 ABC3D12E12 -134.03 2.01 -8.35 0.13 0
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412693 135085607 1 NO2F3H8C11 AB2C3D8E11 -172.47 0.92 -10.47 -0.86 0
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412694 135085608 1 NO2C24H41 AB2C24D41 -162.3 6.98 -8.76 0.58 0
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412695 135085609 1 ClILiZnC6H11 ABCDE6F11 -55.36 7.57 -9.64 -2.23 0
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412696 135085610 1 O3C15H16 A3B15C16 -88.1 7.83 -9.22 -0.84 0
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412697 135085611 1 OSiCl2C11H22 ABC2D11E22 -134.96 2.22 -8.85 0.21 0
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412698 135085612 1 ClO3C10H19 AB3C10D19 -176.35 2.39 -9.9 0.25 0
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412699 135085613 1 NO2C13H15 AB2C13D15 -52.05 2.91 -10.13 -0.72 0
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412700 135085614 1 NO2H11C13 AB2C11D13 11.92 3.3 -8.44 -0.12 0
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412701 135085615 1 NOSC14H25 ABCD14E25 -63.11 3.82 -9.6 -0.91 0
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412702 135085616 1 BrOC11H15 ABC11D15 -40.96 2.09 -8.89 0.04 0
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412703 135085617 1 NaSO4C7H11 ABC4D7E11 -201.87 10.97 -10.31 0.49 0