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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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294650 117478702 1 BrN2C14H21 AB2C14D21 3.44 2.8 -8.67 0.21 0
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294651 117478800 1 FSN3O3C12H12 ABC3D3E12F12 -82.75 6.89 -9.41 -1.08 0
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294652 117479066 1 NO2C19H23 AB2C19D23 -55.69 2.31 -8.31 -0.43 0
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294653 117479085 1 NO2C19H23 AB2C19D23 -37.06 1.95 -8.1 0.18 0
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294654 117479099 1 NO2C19H23 AB2C19D23 -23.05 3.85 -8.5 0.12 0
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294655 117479121 1 NSO3C15H23 ABC3D15E23 -128.86 4.95 -9.13 -0.44 0
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294656 117479556 1 ClNO2C16H24 ABC2D16E24 -82.04 2.58 -8.77 -0.13 0
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294657 117479582 1 ClNO2C16H24 ABC2D16E24 -65.44 1.44 -8.75 -0.11 0
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294658 117479750 1 BrNO3C12H12 ABC3D12E12 -71.73 2.92 -9.11 -0.71 0
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294659 117479751 1 BrNO3C12H12 ABC3D12E12 -92.16 4.49 -8.98 -0.48 0
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294660 117479753 1 BrNO3C12H12 ABC3D12E12 -94.18 3.35 -8.98 -0.45 0
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294661 117479754 1 BrNO3C12H12 ABC3D12E12 -91.39 1.33 -9.11 -0.57 0
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294662 117479891 1 BrO2N3C11H12 AB2C3D11E12 -11.36 4.37 -8.8 -0.43 0
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294663 117479978 1 BrNO2C13H16 ABC2D13E16 -52.89 1.35 -9.01 -0.24 0
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294664 117480087 1 BrNO2C13H16 ABC2D13E16 -56.54 4.28 -8.67 -0.29 0
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294665 117480112 1 BrNO2C13H16 ABC2D13E16 -34.01 2.76 -8.96 -0.26 0
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294666 117480181 1 BrNO2C13H16 ABC2D13E16 -38.15 2.44 -9.5 -0.66 0
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294667 117480204 1 BrNO2C13H16 ABC2D13E16 -36.94 3.6 -8.85 -0.24 0
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294668 117480306 1 BrNOC14H20 ABCD14E20 -44.4 3.0 -8.74 -0.04 0
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294669 117480307 1 BrNOC14H20 ABCD14E20 -30.28 2.98 -9.02 -0.19 0
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294670 117480324 1 BrNOC14H20 ABCD14E20 -47.53 2.16 -8.86 0.04 0
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294671 117480326 1 BrNOC14H20 ABCD14E20 -39.9 3.69 -8.76 -0.01 0
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294672 117480342 1 BrNOC14H20 ABCD14E20 -40.1 1.58 -8.96 -0.02 0
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294673 117480459 1 BrNOC14H20 ABCD14E20 -27.26 0.63 -9.32 -0.31 0
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294674 117480506 1 BrNOC14H20 ABCD14E20 -27.77 3.51 -9.06 -0.02 0
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294675 117480560 1 BrNOC14H20 ABCD14E20 -49.76 4.74 -8.74 -0.1 0
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294676 117480798 1 FO5C15H19 AB5C15D19 -237.72 4.69 -8.88 -0.47 0
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294677 117480822 1 F2N2O2C15H20 A2B2C2D15E20 -156.91 4.75 -8.68 -0.04 0
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294678 117480903 1 SO5C14H18 AB5C14D18 -193.45 7.64 -8.75 -0.51 0
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294679 117480928 1 SN2O4C13H18 AB2C4D13E18 -148.39 4.02 -8.81 0.01 0
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294680 117480933 1 SN2O2H14C16 AB2C2D14E16 -17.19 6.23 -9.49 -1.35 0
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294681 117480934 1 SN2O2H14C16 AB2C2D14E16 -23.82 2.18 -9.18 -0.96 0
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294682 117480956 2 NOC9H11 ABC9D11 -10.82 5.19 -8.52 -0.78 0
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294683 117481025 1 ClF3O4H10C11 AB3C4D10E11 -327.43 3.44 -10.0 -1.38 0
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294684 117481026 1 ClF3O4H10C11 AB3C4D10E11 -331.38 3.55 -9.66 -0.97 0
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294685 117481059 1 ClFSO5C10H12 ABCD5E10F12 -223.37 5.2 -8.8 -1.05 0
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294686 117481070 1 ClO5C14H15 AB5C14D15 -153.3 4.55 -9.08 -1.18 0
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294687 117481271 1 ClO4C15H19 AB4C15D19 -178.5 1.62 -9.7 -0.54 0
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294688 117481274 1 ClO4C15H19 AB4C15D19 -180.64 4.15 -9.02 -0.25 0
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294689 117481505 1 BrO4H11C12 AB4C11D12 -103.0 1.34 -9.44 -1.88 0
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294690 117481835 1 BrO3C13H15 AB3C13D15 -111.54 6.63 -9.24 -0.54 0
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294691 117482169 1 FNSO4C13H14 ABCD4E13F14 -180.47 3.49 -9.78 -1.14 0
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294692 117482171 1 FSN3O3C12H14 ABC3D3E12F14 -102.54 7.71 -8.94 -0.86 0
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294693 117483005 1 BrNO3C12H14 ABC3D12E14 -86.01 3.24 -8.84 -0.36 0
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294694 117483117 1 BrNO3C12H14 ABC3D12E14 -63.84 5.54 -9.3 -1.1 0
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294695 117483371 1 BrNO2C13H18 ABC2D13E18 -50.09 5.0 -8.65 -0.1 0
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294696 117483594 1 BrNO2C13H18 ABC2D13E18 -68.13 1.32 -8.43 -0.14 0
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294697 117483716 1 BrNO2C13H18 ABC2D13E18 -36.99 4.03 -8.71 -0.19 0
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294698 117483873 1 BrFNC14H19 ABCD14E19 -38.48 1.76 -9.43 -0.31 0
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294699 117483874 1 BrFNC14H19 ABCD14E19 -38.61 1.83 -9.46 -0.3 0