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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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232925 87577696 1 NO2C10H12 AB2C10D12 -17.57 2.66 0.0 0.0 0
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232926 87577699 1 NO2C6H11 AB2C6D11 -88.26 4.37 -9.8 -0.14 0
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232927 87577700 1 N2O3C29H58 A2B3C29D58 -254.3 4.7 -9.38 0.83 0
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232928 87577712 1 ClFO2S2N3C21H21 ABC2D2E3F21G21 -60.41 0.89 -9.4 -1.64 0
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232929 87577729 1 Cl2P9N10C20H31O35 A2B9C10D20E31F35 -2028.92 13.25 -8.92 -0.77 0
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232930 87577733 1 BrNO3C7H8 ABC3D7E8 -115.71 2.21 -8.84 -0.59 0
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232931 87577735 1 ClSN4O6C25H29 ABC4D6E25F29 -241.1 1.79 -8.83 -1.65 0
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232932 87577737 1 SF3H5O5C8 AB3C5D5E8 -315.95 7.08 -10.64 -1.74 1
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232933 87577738 1 NOC17H38 ABC17D38 -82.06 3.42 0.0 0.0 -1
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232934 87577740 1 ON4C12H13 AB4C12D13 58.57 9.11 0.0 0.0 0
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232935 87577744 1 PN7O10C48H64 AB7C10D48E64 -477.75 3.31 -9.18 -0.5 0
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232936 87577745 1 S2O6N8C23H30 A2B6C8D23E30 -49.79 7.04 -8.73 -1.24 0
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232937 87577746 1 O2S2N4C15H16 A2B2C4D15E16 -0.57 9.59 -8.87 -1.22 0
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232938 87577748 2 O2C20H37 A2B20C37 -203.1 3.92 -8.86 0.5 0
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232940 87577750 2 OC8H16 AB8C16 -160.77 1.98 -10.47 0.94 0
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232941 87577757 1 N3O6H21C22 A3B6C21D22 -135.65 5.14 -9.16 -1.75 0
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232942 87577760 1 ClO2N4C13H19 AB2C4D13E19 -62.72 2.65 -9.15 -1.02 0
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232943 87577775 1 NO4C9H13 AB4C9D13 -150.37 7.9 -8.98 -0.36 0
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232944 87577784 1 PNa2O6C10H11 AB2C6D10E11 -370.66 19.59 -8.46 -0.46 0
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232945 87577785 1 FISN5C10H11 ABCD5E10F11 40.56 9.59 -9.1 -1.19 1
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232946 87577794 1 ClN2H8C12 AB2C8D12 95.57 3.27 0.0 0.0 0
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232947 87577795 2 ClNH4C6 ABC4D6 122.41 11.82 -8.42 -2.91 1
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232948 87577796 1 ClN2H8C12 AB2C8D12 94.55 4.55 0.0 0.0 0
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232949 87577797 1 NSC24H33 ABC24D33 2.42 3.28 -8.15 -0.19 0
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232950 87577801 1 ClSN2O2C18H19 ABC2D2E18F19 -18.06 1.26 -9.01 -1.05 0
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232951 87577802 1 ClSF3N4O4H18C22 ABC3D4E4F18G22 -200.79 4.03 -9.46 -1.64 -1
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232952 87577803 1 ClSF3N4O4H17C22 ABC3D4E4F17G22 -177.8 6.66 0.0 0.0 0
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232953 87577804 1 N9O9C61H69 A9B9C61D69 -174.87 8.84 -8.44 -1.33 0
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232954 87577807 1 PO7C19H25 AB7C19D25 -327.73 5.13 -8.76 -0.29 0
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232955 87577808 1 O3C9H16 A3B9C16 -151.92 2.38 -10.17 -0.06 0
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232956 87577809 1 ClO3N5C17H20 AB3C5D17E20 -74.28 5.11 -8.98 -0.34 0
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232957 87577814 1 O5C19H20 A5B19C20 -74.35 5.65 -9.7 -0.89 0
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232958 87577815 1 O5C19H20 A5B19C20 -140.94 5.41 -9.4 -1.25 0
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232959 87577816 1 NSO2C8H11 ABC2D8E11 -89.47 3.94 -9.59 -1.05 0
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232960 87577817 1 BrNOC9H10 ABCD9E10 -27.63 3.62 -9.81 -1.05 0
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232961 87577818 1 BrClINH2C5 ABCDE2F5 57.83 1.81 -9.91 -1.63 0
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232962 87577820 1 ClION4H12C14 ABCD4E12F14 55.17 5.05 -8.65 -0.85 0
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232964 87577824 1 ICl2N2O5C21H23 AB2C2D5E21F23 -177.5 9.7 -8.79 -3.08 0
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232965 87577825 1 ClO2N5C16H20 AB2C5D16E20 -4.92 7.73 -8.92 -0.36 0
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232966 87577826 1 FO2Cl3N3C26H27 AB2C3D3E26F27 -86.8 5.19 -8.87 -0.71 0
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232967 87577827 1 O3C12H26 A3B12C26 -163.65 2.29 -9.72 1.49 0
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232968 87577831 1 ClN2O3C15H15 AB2C3D15E15 -22.76 2.95 -8.39 -0.78 0
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232969 87577834 1 OAs2C8H20 AB2C8D20 -20.37 1.52 -8.08 1.75 0
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232970 87577835 1 O4N7H17C21 A4B7C17D21 64.3 6.73 -8.96 -2.13 0
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232972 87577838 1 ClF2O2N3H6C13 AB2C2D3E6F13 -79.25 10.17 -10.21 -1.91 0
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232973 87577844 1 ClO2N6C22H29 AB2C6D22E29 -41.23 5.36 -8.7 -0.12 0
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232974 87577849 1 F3N3O4C24H34 A3B3C4D24E34 -303.22 7.76 -8.95 -1.16 0
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232975 87577851 1 O2N5C6H11 A2B5C6D11 -57.12 7.08 -8.67 -0.32 0
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232976 87577853 1 NO4C22H35 AB4C22D35 -182.98 2.46 -8.6 0.06 0
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232977 87577854 1 B2O5C15H23 A2B5C15D23 -204.3 4.19 0.0 0.0 0