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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226123 87325822 2 NC21H25 AB21C25 148.54 0.64 -8.68 -0.42 0
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226124 87325824 1 F2N2S2O3C19H20 A2B2C2D3E19F20 -166.5 4.82 -9.16 -1.16 0
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226125 87325848 1 O3C12H26 A3B12C26 -167.5 6.54 -10.62 0.68 0
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226126 87325851 1 BrSCl3N3O4H17C21 ABC3D3E4F17G21 -98.97 3.67 -9.16 -1.18 0
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226127 87325853 1 ClO4C5H5 AB4C5D5 -169.97 4.69 -11.42 -1.08 0
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226128 87325854 2 O2N3C6H12 A2B3C6D12 -179.64 8.35 -9.26 0.12 0
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226129 87325855 1 NPH20C22 ABC20D22 104.29 0.99 -8.44 0.1 0
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226130 87325857 2 NO2F3C7H12 AB2C3D7E12 -506.5 12.19 -9.92 -0.36 0
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226131 87325861 1 N3O5C25H25 A3B5C25D25 -106.59 8.96 -9.23 -1.68 0
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226132 87325862 1 SN2O3C8H16 AB2C3D8E16 -153.27 7.37 -9.26 -0.87 0
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226133 87325864 1 ClF3S3N5O6C49H57 AB3C3D5E6F49G57 -293.97 12.0 -8.62 -1.0 0
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226134 87325865 1 SO2N6C20H22 AB2C6D20E22 -2.2 7.82 -9.07 -1.71 0
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226135 87325875 1 NO2C8H17 AB2C8D17 -53.15 3.97 -9.9 -0.09 0
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226136 87325881 1 S2N3O3H13C15 A2B3C3D13E15 -48.22 1.86 -8.45 -1.45 0
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226137 87325882 1 ClS3N5O6C47H54 AB3C5D6E47F54 -175.27 4.84 -8.59 -0.41 0
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226138 87325887 1 SiO4C10H22 AB4C10D22 -246.46 5.23 -9.33 0.64 0
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226139 87325889 1 N2O5H40C46 A2B5C40D46 -34.53 6.93 -8.25 -0.51 0
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226140 87325890 1 N2O5H40C46 A2B5C40D46 -34.83 5.94 -8.23 -0.66 1
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226141 87325894 1 INSO2C9H23 ABCD2E9F23 -87.58 7.59 0.0 0.0 0
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226142 87325896 1 O3N7C17H17 A3B7C17D17 6.92 12.96 -8.37 -1.05 0
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226143 87325897 4 O2C15H30 A2B15C30 -628.04 8.94 -10.39 0.26 0
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226144 87325898 1 O7C18H34 A7B18C34 -318.84 6.03 -10.44 0.03 -1
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226148 87325904 1 ClF3S3N5O6C47H55 AB3C3D5E6F47G55 -334.46 11.96 -8.63 -0.75 0
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226149 87325905 1 SN2O5C8H8 AB2C5D8E8 -144.94 1.55 -9.88 -1.29 0
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226150 87325906 1 SH2N2O5C6 AB2C2D5E6 -66.15 4.56 -10.99 -2.98 0