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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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294700 117483958 1 BrNSC13H18 ABCD13E18 7.79 2.85 -8.82 -0.48 0
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294701 117484079 1 SO6C13H16 AB6C13D16 -226.64 3.33 -9.48 -0.42 0
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294702 117484080 1 SO6C13H16 AB6C13D16 -226.76 4.27 -9.42 -0.32 0
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294703 117484111 1 F2N2O2C15H22 A2B2C2D15E22 -163.12 6.5 -8.38 -0.08 0
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294704 117484113 1 F2N2O2C15H22 A2B2C2D15E22 -158.09 4.89 -8.3 0.13 0
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294705 117484268 2 OC10H14 AB10C14 -111.83 5.56 -9.52 -0.04 0
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294706 117484271 2 OC10H14 AB10C14 -107.95 5.59 -9.56 -0.04 0
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294707 117484272 2 OC10H14 AB10C14 -107.91 5.57 -9.48 -0.06 0
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294708 117484275 2 OC10H14 AB10C14 -109.92 5.51 -9.42 -0.03 0
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294709 117484377 1 ClO5C14H17 AB5C14D17 -185.48 7.9 -8.77 -0.63 0
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294710 117484471 1 ClN2O3C14H21 AB2C3D14E21 -106.42 3.8 -8.45 0.03 0
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294711 117484798 1 BrO4C12H13 AB4C12D13 -163.73 6.61 -9.5 -0.87 0
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294712 117484818 1 BrO4C12H13 AB4C12D13 -143.74 4.6 -8.97 -0.61 0
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294713 117484827 1 BrO4C12H13 AB4C12D13 -133.85 1.64 -8.85 -0.29 0
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294714 117484836 1 BrO4C12H13 AB4C12D13 -120.91 5.09 -8.79 -0.4 0
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294715 117484839 1 BrO4C12H13 AB4C12D13 -133.08 6.28 -9.26 -1.03 0
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294716 117484854 1 BrN2O3C11H13 AB2C3D11E13 -100.66 3.76 -9.04 -0.8 0
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294717 117484869 1 BrFO2C13H14 ABC2D13E14 -114.09 2.61 -9.61 -0.62 0
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294718 117485147 1 BrO3C13H17 AB3C13D17 -126.37 6.43 -9.39 -0.56 0
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294719 117485536 1 N3O3C16H19 A3B3C16D19 -61.12 7.28 -9.07 -0.54 0
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294720 117485579 1 FNSO3C14H20 ABCD3E14F20 -168.26 8.05 -9.71 -0.55 0
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294721 117485598 1 FNSO3C14H20 ABCD3E14F20 -163.58 3.33 -9.33 -0.82 0
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294722 117485973 1 BrFNO3H9C11 ABCD3E9F11 -99.68 3.21 -9.01 -0.88 0
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294723 117486028 1 BrFO2N3H9C10 ABC2D3E9F10 -41.53 6.34 -8.12 -1.19 0
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294724 117486029 1 BrFO2N3H9C10 ABC2D3E9F10 -52.05 4.49 -8.58 -0.97 0
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294725 117486116 1 BrNO4C11H12 ABC4D11E12 -132.59 3.62 -9.06 -0.67 0
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294726 117486128 1 BrNO4C11H12 ABC4D11E12 -107.11 2.09 -9.17 -1.08 0
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294727 117486371 1 BrNO3C12H16 ABC3D12E16 -98.02 1.53 -8.95 -0.57 0
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294728 117486372 1 BrNO3C12H16 ABC3D12E16 -106.53 2.45 -8.45 -0.18 0
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294729 117486394 1 BrNO3C12H16 ABC3D12E16 -85.78 5.47 -9.23 -0.9 0
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294730 117486395 1 BrNO3C12H16 ABC3D12E16 -92.45 2.1 -8.68 -0.26 0
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294731 117486429 1 BrNO3C12H16 ABC3D12E16 -87.05 5.31 -9.16 -1.11 0
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294732 117486430 1 BrNO3C12H16 ABC3D12E16 -98.62 4.65 -8.89 -0.4 0
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294733 117487204 1 N2O3C17H22 A2B3C17D22 -71.37 1.78 -8.36 -1.5 0
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294734 117487207 1 N2O3C17H22 A2B3C17D22 -87.51 9.8 -9.38 -0.52 0
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294735 117487242 2 ON2C8H11 AB2C8D11 -3.0 4.35 -8.61 -0.55 0
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294736 117487243 2 ON2C8H11 AB2C8D11 -50.09 1.32 -8.69 -0.15 0
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294737 117487247 2 ON2C8H11 AB2C8D11 -48.79 4.63 -8.78 -0.26 0
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294738 117487251 2 ON2C8H11 AB2C8D11 -55.35 2.1 -8.71 0.0 0
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294739 117487274 2 ON2C8H11 AB2C8D11 -18.5 4.38 -8.54 -0.08 0
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294740 117487275 2 ON2C8H11 AB2C8D11 -12.22 4.17 -8.54 -0.06 0
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294741 117487278 2 ON2C8H11 AB2C8D11 -16.51 4.59 -8.02 0.16 0
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294742 117487281 2 ON2C8H11 AB2C8D11 -50.1 4.4 -8.85 -0.1 0
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294743 117487283 2 ON2C8H11 AB2C8D11 -15.55 1.53 -8.23 0.16 0
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294744 117487423 1 ON2C19H30 AB2C19D30 -41.87 4.13 -8.3 0.37 0
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294745 117487515 1 ClO2N4H11C14 AB2C4D11E14 14.82 4.8 -9.65 -1.48 0
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294746 117487926 1 BrO4C12H15 AB4C12D15 -149.47 6.6 -9.17 -0.68 0
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294747 117487930 1 BrO4C12H15 AB4C12D15 -152.27 7.46 -8.84 -0.45 0
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294748 117487946 1 BrO4C12H15 AB4C12D15 -162.34 5.7 -9.1 -0.62 0
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294749 117488399 1 FNSO4C13H18 ABCD4E13F18 -188.92 8.29 -9.44 -0.77 0