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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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231815 87574711 1 SO4H8C9 AB4C8D9 -112.39 4.74 -9.84 -1.18 0
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231816 87574713 1 O3F6C10H12 A3B6C10D12 -417.0 1.07 -9.36 0.04 0
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231817 87574714 1 STeO3H6C8 ABC3D6E8 -79.84 3.95 -8.63 -1.26 0
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231818 87574716 2 NC19H24 AB19C24 30.45 5.24 -9.22 -0.19 0
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231819 87574723 1 ON3C24H29 AB3C24D29 0.26 1.38 -8.37 0.18 0
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231820 87574724 1 SN3F4O4H21C22 AB3C4D4E21F22 -256.26 4.76 -9.11 -1.16 0
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231821 87574726 1 ClFNO5H17C20 ABCD5E17F20 -88.72 8.51 -9.01 -1.04 0
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231822 87574727 1 NSO7C12H13 ABC7D12E13 -258.56 6.62 -9.03 -1.46 0
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231823 87574728 1 ClSN2C6O6H17 ABC2D6E6F17 -291.05 12.48 -8.42 -1.29 0
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231824 87574729 1 O3C10H14 A3B10C14 -97.26 3.32 -10.16 0.66 0
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231825 87574730 1 S2O3H8C9 A2B3C8D9 -80.19 3.72 -9.13 -1.19 0
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231826 87574731 1 NO4H25C28 AB4C25D28 -65.12 4.53 -9.04 -0.63 0
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231827 87574733 1 NO4H23C28 AB4C23D28 -33.32 2.14 -8.98 -0.58 0
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231828 87574735 1 SN4O11C63H114 AB4C11D63E114 -693.27 12.15 -9.47 -1.61 1
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231829 87574736 1 S2C24H25 A2B24C25 46.01 2.07 0.0 0.0 0
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231830 87574738 1 INC5O5H14 ABC5D5E14 3.79 12.81 -10.48 -2.76 0
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231831 87574739 1 NTeH5C9 ABC5D9 75.46 3.26 -8.55 -1.12 1
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231832 87574740 1 INC5O5H13 ABC5D5E13 -15.56 16.75 0.0 0.0 1
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231833 87574741 1 INO4C5H13 ABC4D5E13 -26.23 15.72 0.0 0.0 0
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231834 87574743 1 FSeH5C8 ABC5D8 -10.19 1.55 -8.64 -0.63 0
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231835 87574746 1 ClNSF3O4H19C20 ABCD3E4F19G20 -295.62 9.35 -9.26 -0.75 0
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231836 87574747 1 ClO3C11H15 AB3C11D15 -110.23 3.55 -10.21 0.34 0
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231840 87574753 1 NSO7C23H33 ABC7D23E33 -306.47 1.96 -9.53 -0.04 0
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231841 87574754 1 OSN6C22H22 ABC6D22E22 86.42 2.94 -8.43 -1.04 1
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231842 87574757 1 N3C7H14 A3B7C14 27.68 1.69 0.0 0.0 0
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231843 87574763 1 SiO4C15H25 AB4C15D25 -163.36 7.37 0.0 0.0 0
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231844 87574764 1 SiO4C15H28 AB4C15D28 -255.52 5.81 -9.66 -0.18 0
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231845 87574765 1 NSO30C47H63 ABC30D47E63 -1321.98 7.83 -9.1 -0.16 0
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231846 87574767 1 Cl2O2N5H7C10 A2B2C5D7E10 36.95 5.0 -9.06 -1.69 -1
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231847 87574769 1 FeNO5C7H14 ABC5D7E14 -188.15 12.57 0.0 0.0 0
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231848 87574770 1 FeNO4C7H13 ABC4D7E13 -111.83 15.16 -8.25 -0.29 0
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231849 87574771 1 NO4C14H19 AB4C14D19 -137.47 0.58 -9.68 -0.56 0
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231850 87574773 1 ClO2C10H13 AB2C10D13 -85.42 4.47 -10.25 0.07 0
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231851 87574774 1 NO9C14H31 AB9C14D31 -450.03 4.98 -10.08 0.77 0
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231852 87574778 1 SiCl3O5C20H41 AB3C5D20E41 -377.7 3.09 -9.86 -0.62 0
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231853 87574779 1 N3O4C26H37 A3B4C26D37 -87.9 2.42 -8.48 -0.64 0
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231854 87574784 2 NaSO3C4H4 ABC3D4E4 -297.53 2.53 -5.75 0.17 0
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231855 87574790 1 SSeO3H8C9 ABC3D8E9 -77.54 6.45 -8.94 -0.98 0
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231856 87574793 1 OTeC12H14 ABC12D14 -14.41 3.22 -8.08 -0.31 0
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231857 87574796 1 NSiO2C4H8 ABC2D4E8 -18.85 2.39 0.0 0.0 0
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231858 87574799 1 OSSi2C6H16 ABC2D6E16 -108.7 3.55 -7.42 -0.4 0
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231859 87574801 1 SiO4C12H19 AB4C12D19 -148.25 4.47 0.0 0.0 0
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231860 87574802 1 SiO4C12H22 AB4C12D22 -242.85 5.8 -9.82 -0.24 0
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231861 87574804 1 NSiO4C10H21 ABC4D10E21 -278.21 1.85 -9.8 0.3 0
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231862 87574810 1 OC27H56 AB27C56 -151.36 0.69 -9.6 1.34 0
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231863 87574811 1 N3O3C19H19 A3B3C19D19 -27.88 8.54 -8.28 -0.95 0
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231864 87574812 1 SeO2C5H7 AB2C5D7 -49.14 1.66 0.0 0.0 0
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231865 87574816 6 FNOC8H8 ABCD8E8 -385.84 8.27 -8.74 -1.05 0
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231866 87574818 1 FeNC3H9 ABC3D9 87.19 0.47 -7.35 2.53 0
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231867 87574819 2 ClN2C6H6 AB2C6D6 53.03 5.34 -9.56 -0.96 0