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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140813 52766336 1 O2N4C28H39 A2B4C28D39 -44.22 4.14 0.0 0.0 0
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140814 52766337 2 ON2C14H19 AB2C14D19 -69.54 4.15 -8.29 -0.34 0
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140815 52766338 1 SN4O4C24H26 AB4C4D24E26 2.71 5.42 -8.76 -1.34 0
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140816 52767298 1 SN3O4C20H29 AB3C4D20E29 -177.86 8.31 -8.93 -0.4 0
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140817 52767521 1 FON3C20H24 ABC3D20E24 -8.72 2.61 -8.75 -0.18 0
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140818 52767570 1 ClFSN2O3C16H22 ABCD2E3F16G22 -181.49 2.67 -9.49 -1.21 1
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140819 52767708 1 N2O2S2C13H21 A2B2C2D13E21 -45.89 3.87 0.0 0.0 0
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140820 52767709 1 N2O2S2C13H20 A2B2C2D13E20 -53.38 5.13 -8.76 -0.92 1
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140821 52767710 1 SN2O3C16H25 AB2C3D16E25 -96.87 3.89 0.0 0.0 0
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140822 52767711 1 SN2O3C16H24 AB2C3D16E24 -106.22 6.91 -8.62 -0.39 1
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140823 52767712 1 SN2O3C16H25 AB2C3D16E25 -96.85 3.94 0.0 0.0 0
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140824 52767759 1 ClFSN2O2C15H20 ABCD2E2F15G20 -117.99 4.27 -8.74 -1.14 0
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140825 52767851 1 ON3C21H33 AB3C21D33 -59.97 3.74 -8.87 -0.18 1
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140826 52767852 1 FOSN3C21H23 ABCD3E21F23 -33.17 2.79 0.0 0.0 0
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140827 52767963 1 SN2O5C15H22 AB2C5D15E22 -211.74 3.76 -9.95 -0.78 0
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140828 52767964 2 NO2C9H12 AB2C9D12 -178.77 1.12 -8.76 -0.07 0
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140829 52767965 2 NO2C9H12 AB2C9D12 -179.07 3.49 -8.51 0.17 0
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140830 52767966 1 N3O4C18H23 A3B4C18D23 -148.57 1.47 -9.08 -0.65 0
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140831 52767967 1 N2O2F3C17H23 A2B2C3D17E23 -251.68 7.23 -8.45 -0.18 0
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140832 52767968 1 N2O2F3C17H23 A2B2C3D17E23 -251.69 6.29 -8.59 -0.27 0
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140833 52767969 1 N2O2F3C21H29 A2B2C3D21E29 -261.71 6.69 -8.55 -0.24 0
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140834 52767970 1 N2O2F3C21H29 A2B2C3D21E29 -262.68 2.87 -8.54 -0.26 0
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140835 52767971 1 O2F3N4H19C20 A2B3C4D19E20 -164.72 8.91 -8.35 -0.83 0
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140836 52767972 1 O2F3N4H19C20 A2B3C4D19E20 -164.56 8.44 -8.39 -0.82 0
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140837 52767973 1 O2F3N3C18H18 A2B3C3D18E18 -190.67 4.77 -8.81 -0.64 0