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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218052 85088797 1 N2O5C24H28 A2B5C24D28 -178.37 7.33 -9.69 -0.6 0
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218053 85088798 1 SO5C24H24 AB5C24D24 -115.14 5.92 -9.48 -0.47 0
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218054 85088799 1 O5C26H32 A5B26C32 -191.37 2.73 -9.52 -0.59 0
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218055 85088800 1 N2O4C25H32 A2B4C25D32 -90.36 3.21 -8.44 0.11 0
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218056 85088801 1 PO4C24H41 AB4C24D41 -288.85 2.54 -8.82 0.68 0
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218057 85088802 2 O3C12H20 A3B12C20 -331.97 3.65 -9.54 0.51 1
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218058 85088803 1 SiO4N6C18H31 AB4C6D18E31 -122.32 2.66 0.0 0.0 0
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218059 85088804 1 O5C25H44 A5B25C44 -239.33 5.3 -9.5 0.28 0
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218060 85088806 1 SiO3C26H36 AB3C26D36 -147.54 4.33 -8.96 0.1 0
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218061 85088807 1 OC30H48 AB30C48 -112.14 5.43 -9.64 0.12 0
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218062 85088808 1 ClF4N4O4C15H15 AB4C4D4E15F15 -316.34 2.85 -9.17 -0.8 0
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218063 85088809 1 ClSO2N4C21H25 ABC2D4E21F25 -27.94 8.32 -8.42 -0.78 0
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218064 85088810 1 F3N3O4C20H22 A3B3C4D20E22 -272.51 4.83 -10.3 -1.37 0
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218065 85088811 1 LiNO5H24C25 ABC5D24E25 -63.86 18.78 -5.9 -1.33 0
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218066 85088812 1 N3O6C22H23 A3B6C22D23 -21.48 1.96 -8.0 -0.54 0
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218067 85088813 1 NO6C24H27 AB6C24D27 -129.66 1.76 -8.38 -0.54 0
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218068 85088814 1 N3O5C23H27 A3B5C23D27 -84.82 5.07 -8.31 -0.5 0
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218069 85088815 1 N3O5C23H31 A3B5C23D31 -151.94 2.69 -8.5 -0.21 0
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218070 85088816 1 FSO2N5H20C21 ABC2D5E20F21 -27.34 6.56 -8.64 -0.93 0
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218071 85088817 1 NO5C25H31 AB5C25D31 -173.0 3.22 -8.78 -0.08 0
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218072 85088818 1 NSO6C21H31 ABC6D21E31 -260.89 8.59 -8.8 -0.06 0
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218073 85088821 1 OSN3C25H35 ABC3D25E35 -24.86 5.58 -8.06 -0.11 0
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218074 85088822 1 ClN3O8H16C17 AB3C8D16E17 -178.46 2.56 -9.52 -2.23 0
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218075 85088823 1 ClN3O3S3H12C16 AB3C3D3E12F16 -3.13 3.41 -9.62 -1.78 0
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218076 85088824 1 BrSN3O8C11H14 ABC3D8E11F14 -319.17 6.68 -10.47 -1.47 0
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218077 85088825 1 NCl2O2F3C20H20 AB2C2D3E20F20 -256.29 5.86 -9.88 -1.08 0
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218078 85088826 1 NCl2O4C21H25 AB2C4D21E25 -156.22 2.56 -9.65 -0.67 0
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218079 85088827 3 FO2C7H7 AB2C7D7 -359.59 8.78 -9.59 -1.97 0
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218080 85088828 1 N2F3O3H17C23 A2B3C3D17E23 -183.67 7.56 -8.81 -1.15 0
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218081 85088831 2 N2O2H9C12 A2B2C9D12 38.21 4.83 -9.07 -1.48 0
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218082 85088832 1 SF3O6C18H25 AB3C6D18E25 -398.5 4.61 -9.52 -1.16 0
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218083 85088838 1 S2O4H22C23 A2B4C22D23 -75.18 3.6 -9.08 -0.76 0
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218084 85088839 1 SiO5C24H30 AB5C24D30 -163.55 1.5 -8.73 -0.08 0
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218085 85088840 1 SiO5C24H30 AB5C24D30 -217.82 2.9 -8.99 0.11 0
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218086 85088841 1 SiO4C25H34 AB4C25D34 -122.45 1.92 -8.82 -0.65 0
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218087 85088844 1 SiO3C25H50 AB3C25D50 -265.65 4.57 -8.64 0.41 0
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218088 85088847 1 FN3O5C22H22 AB3C5D22E22 -195.42 7.83 -9.47 -1.8 0
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218089 85088851 1 N3O4C24H33 A3B4C24D33 -153.58 4.43 -9.41 -0.2 0
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218090 85088853 1 NO4C26H37 AB4C26D37 -116.54 4.33 -8.2 0.21 0
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218091 85088855 1 ClO2N5C22H26 AB2C5D22E26 -50.02 2.84 -8.92 -0.53 0
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218092 85088858 1 O13C16H28 A13B16C28 -578.87 5.27 -10.44 0.22 0
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218093 85088859 1 F2N2O5H18C22 A2B2C5D18E22 -204.96 5.36 -9.04 -1.23 0
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218094 85088860 2 O5C10H14 A5B10C14 -417.48 3.3 -10.05 0.58 0
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218095 85088864 1 N2O3C27H28 A2B3C27D28 -59.13 2.17 -9.48 -0.21 0
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218096 85088865 1 N2O3S3H16C20 A2B3C3D16E20 -21.57 9.63 -8.79 -1.58 0
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218097 85088876 1 N3O5C23H31 A3B5C23D31 -193.17 6.46 -8.9 -0.14 0
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218098 85088877 1 S2N3O4H19C20 A2B3C4D19E20 -32.86 10.79 -8.7 -1.63 2
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218099 85088880 1 SN3C27H31 AB3C27D31 159.74 11.61 -5.78 -0.33 0
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218100 85088881 1 NSi2O4C21H43 AB2C4D21E43 -280.85 2.06 -9.0 0.73 0
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218101 85088882 1 BrON5C20H22 ABC5D20E22 86.08 4.72 -8.86 -1.53 0
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218102 85088883 1 O9C22H22 A9B22C22 -319.96 2.68 -10.04 -0.7 0
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218103 85088884 2 O2N3H8C11 A2B3C8D11 16.27 5.52 -9.85 -2.95 0
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218104 85088885 1 F2N2O4C23H24 A2B2C4D23E24 -204.83 5.61 -9.13 -0.57 0
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218105 85088889 1 O7C24H30 A7B24C30 -300.91 5.23 -9.57 -0.79 0
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218106 85088891 1 SO6C23H26 AB6C23D26 -163.16 5.56 -9.51 -0.6 0
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218107 85088893 2 O2C14H15 A2B14C15 -83.72 1.62 -9.4 -0.03 0
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218108 85088895 1 O3C29H34 A3B29C34 -110.63 2.87 -9.1 -0.15 0
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218109 85088896 1 SN2O3C24H34 AB2C3D24E34 -127.75 5.17 -8.16 -0.56 0
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218110 85088897 1 O3C28H46 A3B28C46 -185.0 1.4 -8.69 0.05 0
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218111 85088898 1 O2C29H50 A2B29C50 -167.27 2.65 -9.75 2.37 0
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218112 85088899 1 Si2O5C21H42 A2B5C21D42 -337.55 1.73 -8.91 0.52 0
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218113 85088900 1 ClO3N4H15C23 AB3C4D15E23 89.67 4.27 -9.44 -1.5 0
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218114 85088901 1 BrCuZnN2O2C12H18 ABCD2E2F12G18 45.86 11.32 -8.64 -1.59 0
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218115 85088902 1 FO3N5H18C23 AB3C5D18E23 25.29 4.33 -9.27 -2.09 0
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218116 85088905 1 O3N5C24H29 A3B5C24D29 -6.87 7.41 -9.45 -0.17 0
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218117 85088906 1 FN3O4C23H30 AB3C4D23E30 -169.0 14.46 -8.77 -1.01 0
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218118 85088907 1 SN3O3H21C24 AB3C3D21E24 -1.85 4.67 -8.74 -1.02 0
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218119 85088908 1 NO6C24H33 AB6C24D33 -173.61 3.29 -8.49 -0.96 0
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218120 85088909 1 NO4C27H29 AB4C27D29 -81.48 2.94 -8.84 -0.31 0
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218121 85088910 1 O4N5C22H33 A4B5C22D33 -154.6 6.25 -9.34 -0.15 0
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218122 85088911 1 O2N5C25H27 A2B5C25D27 102.92 2.66 -8.42 -1.74 0
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218123 85088912 1 O2N5C25H33 A2B5C25D33 -37.88 8.73 -8.39 -1.07 0
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218124 85088913 1 NSO5C23H29 ABC5D23E29 -173.14 6.92 -9.26 -1.02 0
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218125 85088914 1 NO5C25H37 AB5C25D37 -241.93 6.22 -8.98 -0.1 0
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218126 85088915 1 NS2O3C23H29 AB2C3D23E29 -101.91 1.67 -8.58 0.1 0