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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227017 87559665 1 N3C12H29 A3B12C29 -24.53 4.64 -8.81 2.09 0
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227018 87559667 1 N2O9C54H76 A2B9C54D76 -393.21 8.59 -8.68 -0.34 0
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227019 87559671 1 SiF6H38C40 AB6C38D40 -263.89 2.06 -8.65 -0.52 0
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227020 87559687 1 AlNOC21H22 ABCD21E22 -21.83 4.1 -8.99 -0.77 0
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227021 87559697 1 NO2C5H9 AB2C5D9 -0.82 3.98 -9.21 0.34 0
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227022 87559700 2 SN2O2C12H14 AB2C2D12E14 -81.17 3.31 -8.69 -0.59 0
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227023 87559726 1 NO2Si3C15H39 AB2C3D15E39 -286.93 3.08 -8.52 1.37 0
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227025 87559740 1 N2F3O3C15H21 A2B3C3D15E21 -225.94 7.32 -9.25 -0.53 0
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227026 87559743 1 ClFSO2N4C22H24 ABCD2E4F22G24 -66.72 2.7 -9.25 -1.07 0
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227027 87559745 1 ClFSO2N4C22H24 ABCD2E4F22G24 -71.19 7.64 -8.9 -0.66 0
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227028 87559771 1 SO3C6H12 AB3C6D12 -131.39 3.73 -10.49 -0.04 0
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227030 87559794 1 NO3H13C15 AB3C13D15 -28.25 7.11 -9.38 -0.7 0
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227031 87559799 1 NC6O7H13 AB6C7D13 -287.29 3.12 -10.57 -0.29 0
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227032 87559802 1 FS2O3H27C28 AB2C3D27E28 -74.95 6.34 -8.41 -0.26 0
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227033 87559804 1 CuHO2C3F5 ABC2D3E5 -293.57 5.89 0.0 0.0 0
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227034 87559826 1 PN2O3H15C16 AB2C3D15E16 -75.93 6.09 -9.74 -0.54 0
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227035 87559835 3 OC5H10 AB5C10 -198.38 5.92 -10.46 0.62 0
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227036 87559836 1 ClSN2H7C10 ABC2D7E10 66.17 1.21 -8.98 -0.97 0
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227037 87559847 1 AlNC13H23 ABC13D23 15.47 2.14 0.0 0.0 0
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227038 87559866 2 NO5C32H44 AB5C32D44 -463.78 5.09 -9.09 -0.22 0
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227039 87559868 1 CoSC2O2H4 ABC2D2E4 -62.07 10.17 0.0 0.0 1
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227040 87559874 1 NSO5C13H26 ABC5D13E26 -185.21 5.94 0.0 0.0 0
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227041 87559875 1 ZrF4O4C11H22 AB4C4D11E22 -510.68 7.03 -8.41 -0.46 0
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227042 87559876 2 O3C5H11 A3B5C11 -293.57 7.96 -10.16 0.97 0
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227043 87559877 1 OC23H34 AB23C34 -36.9 1.64 -8.26 0.47 0