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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12795 145663 1 FH9C12 AB9C12 -1.42 1.8 -9.36 -0.37 0
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12796 145666 1 N2O2C7H8 A2B2C7D8 -8.83 2.58 -8.77 -0.55 0
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12797 145667 1 O6H8C13 A6B8C13 -178.28 14.04 -9.11 -1.9 0
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12798 145671 2 SO2C4H7 AB2C4D7 -137.18 0.3 -10.8 -0.19 0
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12799 145672 1 ClNO2C6H12 ABC2D6E12 -101.94 10.49 -9.04 0.14 0
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12800 145673 1 NO2C6H12 AB2C6D12 -57.1 6.56 0.0 0.0 1
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12801 145684 1 OC16H30 AB16C30 -82.4 3.57 -10.01 -0.2 0
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12802 145708 1 FH9C12 AB9C12 -9.9 1.54 -8.77 -0.49 0
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12803 145709 1 ClN2C10H11 AB2C10D11 25.15 2.78 -8.52 -0.26 0
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12804 145725 2 ClH2O2C4 AB2C2D4 -140.48 1.9 -10.08 -1.24 0
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12805 145761 5 OC2H2 AB2C2 -159.7 6.21 -8.99 -1.49 0
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12806 145768 1 SN4H14C16 AB4C14D16 99.85 0.72 -9.06 -1.23 0
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12807 145796 1 ClSN3C14H16 ABC3D14E16 48.35 3.53 -8.64 -0.33 0
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12808 145806 1 N4O5H12C14 A4B5C12D14 60.42 9.39 -9.8 -2.0 0
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12809 145809 1 O4H6C7 A4B6C7 -123.74 6.76 -9.62 -1.4 0
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12810 145852 1 O2N4C19H22 A2B4C19D22 59.31 8.61 -8.64 -1.49 0
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12811 145855 1 NCl2C3H9 AB2C3D9 -60.65 3.0 -9.82 0.56 0
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12812 145864 1 OH10C12 AB10C12 -6.5 1.45 -8.32 -0.21 0
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12813 145865 1 ClN4C14H17 AB4C14D17 35.93 3.97 -8.06 -0.72 0
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12814 145952 1 ON3C14H15 AB3C14D15 10.33 5.84 -9.08 -0.29 0
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12815 145991 1 OC9H14 AB9C14 -45.33 4.53 -9.66 -0.07 0
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12816 146067 1 N2O4C13H14 A2B4C13D14 -119.69 4.04 -8.87 -0.71 0
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12817 146070 2 NOH7C8 ABC7D8 -27.82 2.41 -9.63 -0.33 0
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12818 146080 1 N2C20H21 A2B20C21 73.69 3.12 0.0 0.0 1
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12819 146083 1 N2O3C19H22 A2B3C19D22 -78.96 4.64 -8.72 -0.69 0
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12820 146109 1 N2O3H8C15 A2B3C8D15 -7.99 10.29 -8.91 -2.52 0
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12821 146221 1 NO3C10H13 AB3C10D13 -130.68 11.63 -9.45 -0.26 0
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12822 146222 1 N5C19H19 A5B19C19 110.15 6.71 -8.83 -0.64 0
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12823 146285 1 S2N6O6H18C19 A2B6C6D18E19 -99.1 8.54 -8.79 -1.53 0
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12824 146286 2 N4C7H17 A4B7C17 16.17 4.68 -8.48 2.21 0
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12825 146312 1 NO11C36H39 AB11C36D39 -404.24 5.4 -8.94 -0.77 0
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12826 146378 1 NF2O5H17C18 AB2C5D17E18 -274.59 8.14 -9.28 -1.05 0
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12827 146411 1 O7C21H24 A7B21C24 -277.02 6.39 -9.65 -1.65 0
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12828 146424 1 O7C24H32 A7B24C32 -240.73 6.94 -7.89 0.17 0
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12829 146426 1 BrNO2C21H28 ABC2D21E28 -78.22 1.9 -8.8 -0.3 0
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12830 146470 1 NaSC3O4H5 ABC3D4E5 -195.75 8.07 -9.98 0.19 0
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12831 146471 1 SC3O4H6 AB3C4D6 -149.2 3.76 -10.8 -0.97 0
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12832 146484 1 O2N3H15C16 A2B3C15D16 61.99 2.73 -8.93 -1.64 0
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12833 146491 1 N2O2H8C9 A2B2C8D9 42.69 2.39 -8.06 -1.21 0
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12834 146494 1 O2N3H9C12 A2B3C9D12 -2.16 5.3 -10.25 -1.09 0
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12835 146497 1 PN3O4C6H18 AB3C4D6E18 -246.39 4.73 -9.6 0.57 0
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12836 146500 2 N2O2C11H12 A2B2C11D12 -112.5 5.15 -8.77 -1.91 0
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12837 146507 2 ClN2O2C11H13 AB2C2D11E13 -72.37 9.66 -7.64 -1.93 0
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12838 146520 1 N3C19H23 A3B19C23 60.09 6.36 -8.04 -0.78 0
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12839 146521 1 ClON7C18H30 ABC7D18E30 -27.96 1.71 -8.3 -0.51 0
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12840 146565 1 NO3H11C20 AB3C11D20 33.16 5.11 -8.7 -1.67 0
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12841 146643 1 O2N3C9H11 A2B3C9D11 2.42 1.8 -9.94 -0.5 0
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12842 146648 1 SN2O3C15H18 AB2C3D15E18 -67.18 3.08 -8.2 -0.07 0
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12843 146682 1 OH4C5N5 AB4C5D5 88.57 3.84 0.0 0.0 -1
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12844 146683 1 SO2N3H7C9 AB2C3D7E9 56.19 7.45 -9.17 -1.75 0
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12846 146705 1 NOH9C12 ABC9D12 71.81 3.05 -9.14 -1.33 0
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12847 146805 1 SN13O14C39H65 AB13C14D39E65 -655.94 5.55 -9.12 -0.1 0
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12848 146862 1 SI2N2O5H14C15 AB2C2D5E14F15 -139.66 5.43 -9.79 -1.76 0
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12849 146864 1 Cl2O2N3C17H21 A2B2C3D17E21 -38.52 5.8 -9.34 -0.86 0
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12850 146866 1 ON6H18C23 AB6C18D23 146.26 7.17 -7.92 -1.78 0
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12851 146868 1 N3O3C24H29 A3B3C24D29 -74.08 5.87 -8.24 -0.35 0
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12852 146958 1 N9O12C64H111 A9B12C64D111 -654.05 9.99 -9.59 -1.18 0
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12853 147028 1 ClO6C8H11 AB6C8D11 -71.46 11.37 -10.85 -2.64 0
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12854 147076 1 O4C21H32 A4B21C32 -207.5 6.52 -9.91 -0.21 0
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12855 147081 1 SN2O2C14H22 AB2C2D14E22 -19.46 4.55 -8.5 -0.34 0
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12856 147082 1 N3O5C10H19 A3B5C10D19 -234.95 7.2 -9.74 -0.13 0
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12857 147094 1 NS2C5H5F6 AB2C5D5E6 -300.78 4.4 -9.27 -1.21 0
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12858 147095 1 BrSO3N4C18H23 ABC3D4E18F23 -15.5 5.22 -9.36 -1.02 0
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12859 147096 1 BrN4C11H16 AB4C11D16 109.01 8.47 0.0 0.0 1
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12860 147132 1 SN4O6C28H28 AB4C6D28E28 -161.92 1.29 -8.65 -0.74 0
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12861 147143 1 O5H12C16 A5B12C16 -128.44 1.74 -9.16 -1.47 0
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12862 147144 1 PO2S2N5Cl6C12H18 AB2C2D5E6F12G18 -190.9 4.07 -9.51 -0.74 0
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12863 147145 1 FN2O5C11H15 AB2C5D11E15 -272.6 3.81 -9.82 -0.56 0
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12864 147179 1 FO2H11C15 AB2C11D15 -38.02 2.26 -9.83 -0.84 0
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12865 147247 1 N3C8H19 A3B8C19 14.2 1.43 -9.2 0.71 0
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12866 147312 1 NPO3Cl5C10H21 ABC3D5E10F21 -277.27 4.23 -10.56 -0.28 0
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12867 147313 1 NPO3Cl4C10H20 ABC3D4E10F20 -243.54 3.1 -9.56 0.1 0
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12868 147371 2 NO3C5H6 AB3C5D6 -158.19 6.23 -9.95 -1.3 0
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12869 147379 1 SH10O10C15 AB10C10D15 -334.17 10.01 -9.21 -1.83 0
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12870 147389 1 O4C7H12 A4B7C12 -198.16 3.47 -10.6 0.27 0