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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
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140838 52768148 1 SCl2N2O3C18H20 AB2C2D3E18F20 -114.06 3.79 -9.75 -0.75 0
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140839 52768245 1 N2O5C14H26 A2B5C14D26 -259.63 3.86 -10.0 0.37 0
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140840 52768246 1 N2O5C14H26 A2B5C14D26 -261.7 2.09 -9.76 0.22 0
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140841 52768247 1 N2O4C21H22 A2B4C21D22 -102.26 2.17 -9.34 -0.9 0
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140842 52768248 1 NO4C18H23 AB4C18D23 -163.91 4.13 -8.83 -0.58 0
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140843 52768249 1 SN3O7C18H21 AB3C7D18E21 -157.46 5.26 -9.35 -1.43 0
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140844 52768526 2 ON3C8H9 AB3C8D9 48.39 1.39 -9.17 -1.01 -1
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140845 52768605 1 ClO4N6H16C21 AB4C6D16E21 -33.09 6.66 0.0 0.0 0
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140846 52768606 1 ClO4N6H17C21 AB4C6D17E21 -55.57 6.27 -9.39 -1.41 0
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140847 52768888 2 ON2C9H11 AB2C9D11 -41.21 3.46 -9.11 -0.49 0
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140848 52769087 1 NSO6H23C25 ABC6D23E25 -179.92 10.93 -8.93 -0.9 0
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140849 52769393 1 FSN2O3C21H21 ABC2D3E21F21 -88.81 6.65 -8.96 -0.61 0
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140850 52769447 1 FSN2O4C22H27 ABC2D4E22F27 -189.86 4.96 -9.44 -0.59 0
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140851 52770331 1 O4C17H18 A4B17C18 -135.68 2.37 -8.65 -0.54 0
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140852 52770332 1 O4C17H18 A4B17C18 -134.23 2.27 -8.59 -0.59 0
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140853 52770365 1 NBr2O2C11H11 AB2C2D11E11 -64.01 2.13 -9.42 -0.77 0
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140854 52770664 1 OSN4H18C24 ABC4D18E24 103.76 7.55 -9.19 -1.04 0
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140855 52770665 1 O2Cl3N3H14C18 A2B3C3D14E18 -16.01 3.54 -9.38 -1.11 1
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140856 52771256 1 ClO2N6C22H26 AB2C6D22E26 38.96 12.24 0.0 0.0 0
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140857 52771365 1 N2O2C13H24 A2B2C13D24 -128.87 0.96 -9.4 1.07 0
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140858 52771399 1 ON6C22H26 AB6C22D26 66.08 6.12 -8.91 -1.05 0
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140859 52771568 1 N2O3C18H30 A2B3C18D30 -125.22 5.05 -8.64 0.36 0
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140860 52772174 1 NSO3C20H25 ABC3D20E25 -94.79 4.71 -8.66 -0.4 0
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140861 52772421 1 NSF3O4C19H20 ABC3D4E19F20 -278.72 9.58 -8.6 -0.58 0
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140862 52772422 1 ClNSO2C16H16 ABCD2E16F16 -53.92 4.46 -8.91 -0.54 0