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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80056 49832521 1 F3O3N4C23H25 A3B3C4D23E25 -234.79 5.59 -9.35 -0.93 0
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80057 49832524 1 NSO9C39H61 ABC9D39E61 -450.16 2.71 -9.1 -0.11 0
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80058 49832525 1 NSO9C38H59 ABC9D38E59 -457.47 8.58 -9.0 -0.28 0
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80059 49832577 1 SN2O3F4H24C26 AB2C3D4E24F26 -275.19 2.75 -9.67 -0.96 0
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80060 49832591 1 FCl2O3N8H31C42 AB2C3D8E31F42 59.89 4.29 -9.43 -1.3 0
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80061 49832610 1 O3N5H13C18 A3B5C13D18 -4.49 8.54 -8.57 -1.25 0
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80062 49832625 1 BrON8C30H35 ABC8D30E35 82.7 6.79 -7.8 -0.67 0
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80063 49832626 1 BrO2N7C30H34 AB2C7D30E34 51.13 10.32 -7.95 -0.82 0
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80064 49832627 1 FO2N5H24C25 AB2C5D24E25 -18.44 6.39 -9.24 -0.89 0
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80065 49832641 1 OF2N5H21C23 AB2C5D21E23 -20.21 7.9 -9.17 -1.03 0
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80066 49832645 1 OF3N5H24C25 AB3C5D24E25 -88.08 6.11 -9.14 -1.28 0
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80067 49832647 1 N5O6C16H17 A5B6C16D17 -47.15 7.8 -9.25 -1.66 0
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80068 49832653 1 SO2N4C20H20 AB2C4D20E20 22.42 3.21 -8.56 -0.91 0
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80069 49832656 1 OSN4C21H22 ABC4D21E22 52.92 3.13 -8.58 -0.55 0
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80070 49832659 1 BN3O6C21H24 AB3C6D21E24 -294.23 8.03 -9.66 -1.26 0
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80071 49832667 1 SN6O9C36H42 AB6C9D36E42 -274.04 2.33 -9.22 -1.09 0
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80072 49832671 1 SF3N3O3C26H32 AB3C3D3E26F32 -253.32 2.05 -8.75 -0.48 0
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80073 49832672 1 SN2O4C12H12 AB2C4D12E12 -101.89 4.19 -9.42 -0.9 0
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80074 49832674 1 SN2O3H10C12 AB2C3D10E12 -47.86 4.88 -9.07 -0.55 0
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80075 49832676 1 SiN3O5C36H49 AB3C5D36E49 -236.7 4.31 -8.51 -0.39 0
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80076 49832677 1 FSiN3O4C35H46 ABC3D4E35F46 -243.19 7.1 -8.84 -0.29 0
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80077 49832678 1 SiN3O4C36H49 AB3C4D36E49 -207.93 4.91 -8.65 -0.17 0
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80078 49832682 1 FON5C21H24 ABC5D21E24 23.66 1.04 -8.99 -0.69 0
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80079 49832717 1 ClO2N5C20H20 AB2C5D20E20 6.25 6.33 -8.54 -0.74 0
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80080 49832718 1 ClO2N5C21H22 AB2C5D21E22 0.32 8.0 -8.29 -0.75 0
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80081 49832726 1 O2N5H19C24 A2B5C19D24 29.99 3.03 -8.96 -1.25 0
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80082 49832771 1 FON9C27H36 ABC9D27E36 21.18 8.1 -8.58 -0.72 0
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80083 49832774 1 ClO3N5H14C21 AB3C5D14E21 -18.82 4.58 -8.15 -1.68 0
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80084 49832783 1 F2N3O4H23C27 A2B3C4D23E27 -160.65 3.23 -8.73 -0.85 0
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80085 49832807 1 NO2C20H25 AB2C20D25 -60.52 4.2 -8.91 0.14 0
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80086 49832813 1 FNO4C26H34 ABC4D26E34 -200.94 2.1 -8.69 -0.15 0
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80087 49832816 2 SO5N6C15H29 AB5C6D15E29 -466.02 17.63 -9.14 -0.44 0
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80088 49832817 1 SO2N4C22H22 AB2C4D22E22 3.33 4.78 -8.46 -0.53 0
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80089 49832827 1 BN3O6H20C21 AB3C6D20E21 -73.98 6.24 -7.22 -2.14 0
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80090 49832846 1 ClSiN3O5C37H50 ABC3D5E37F50 -250.2 4.09 -8.73 -0.33 0
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80091 49832875 1 BrO3N4C19H21 AB3C4D19E21 -52.27 3.52 -9.57 -0.99 0
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80092 49832885 1 F2N7H19C30 A2B7C19D30 112.72 2.87 -8.61 -0.95 0
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80093 49832886 1 F2N7H21C31 A2B7C21D31 101.31 3.72 -8.78 -1.08 0
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80094 49832896 1 ON6H20C23 AB6C20D23 79.0 2.86 -8.6 -1.0 0
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80095 49832903 1 O2F3N7H26C28 A2B3C7D26E28 -133.42 4.83 -8.51 -0.86 0
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80096 49832911 1 ClS2F3O3N6C27H30 AB2C3D3E6F27G30 -191.89 7.81 -8.73 -1.56 0
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80097 49832925 1 ClOS2N6H15C21 ABC2D6E15F21 144.01 5.21 -9.28 -1.31 0
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80098 49832944 1 N4O5C28H30 A4B5C28D30 -134.19 2.56 -8.41 -0.36 0
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80099 49832946 1 N2O3F5C16H19 A2B3C5D16E19 -380.06 6.39 -9.92 -0.68 0
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80100 49832955 1 NO2C22H29 AB2C22D29 -59.18 3.5 -8.69 0.33 0
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80101 49832962 1 NO3C20H25 AB3C20D25 -107.15 3.7 -9.15 -0.06 0
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80102 49832963 1 NO3C20H25 AB3C20D25 -109.42 4.24 -9.11 -0.05 0
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80103 49832970 1 N6C25H28 A6B25C28 144.09 6.78 -8.55 -0.88 0
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80104 49832971 1 FN5C24H28 AB5C24D28 48.59 4.36 -9.0 -0.24 0
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80105 49832975 1 ON6C26H32 AB6C26D32 68.44 5.17 -8.41 -0.45 0
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80106 49832976 1 FN6C30H39 AB6C30D39 33.91 2.74 -8.72 -0.28 0
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80107 49832990 2 SN5O5C18H31 AB5C5D18E31 -467.5 12.27 -9.16 -0.26 0
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80108 49832994 1 SN2O2H20C21 AB2C2D20E21 12.85 2.27 -8.88 -0.61 0
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80109 49832997 1 BN2O5C18H19 AB2C5D18E19 -235.63 11.19 -9.7 -0.81 0
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80110 49832998 1 BN2O6C18H21 AB2C6D18E21 -291.77 5.81 -9.39 -1.04 0
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80111 49833002 1 BN2O7C20H23 AB2C7D20E23 -341.31 8.79 -9.7 -1.11 0
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80112 49833003 1 O9C37H56 A9B37C56 -289.33 4.65 -9.14 -0.1 0
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80113 49833005 1 O11C44H62 A11B44C62 -377.49 5.74 -9.08 -0.16 0
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80114 49833026 1 O2N3C27H37 A2B3C27D37 -67.93 4.64 -8.83 -0.23 0
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80115 49833046 1 N3O3C26H35 A3B3C26D35 -70.55 4.27 -8.26 0.15 0
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80116 49833057 1 SF3N8H29C35 AB3C8D29E35 35.35 6.76 -8.62 -1.16 0
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80117 49833073 1 O2N8C27H28 A2B8C27D28 26.8 3.9 -8.42 -1.0 0
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80118 49833081 1 N2Cl3O3H23C27 A2B3C3D23E27 -71.38 5.7 -8.81 -0.54 0
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80119 49833082 1 ClS2F3O5N6C30H34 AB2C3D5E6F30G34 -310.6 3.14 -9.1 -1.45 0
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80120 49833086 1 SF3O5N7H26C27 AB3C5D7E26F27 -260.58 10.64 -9.27 -1.97 0
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80121 49833090 2 O4H7C9 A4B7C9 -279.02 3.72 -9.76 -0.94 0
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80122 49833096 1 OSN6H20C24 ABC6D20E24 110.47 8.08 -8.76 -1.32 0
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80123 49833103 1 FSCl3O3N8H26C36 ABC3D3E8F26G36 51.65 5.17 -9.31 -1.38 0
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80124 49833109 1 SO2N7C27H33 AB2C7D27E33 38.22 7.26 -8.71 -1.16 0
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80125 49833145 1 F2O2H10C13 A2B2C10D13 -114.54 4.0 -9.82 -1.34 0
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80126 49833146 1 F2O4H12C15 A2B4C12D15 -192.36 5.17 -9.72 -1.87 0
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80127 49833148 1 N3O5C36H43 A3B5C36D43 -154.97 6.79 -8.94 -0.69 0
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80128 49833151 1 ClN3O4C35H40 AB3C4D35E40 -125.56 5.88 -9.1 -0.85 1
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80129 49833157 1 S2O5N8C20H23 A2B5C8D20E23 -18.67 11.4 0.0 0.0 0
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80130 49833158 1 S2O5N8C19H20 A2B5C8D19E20 -13.94 14.91 -8.78 -1.16 0
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80131 49833166 1 SO3N5H21C22 AB3C5D21E22 -0.37 4.6 -8.96 -0.94 0
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80132 49833167 1 S2N3O4C21H21 A2B3C4D21E21 -51.09 6.6 -9.07 -0.99 0
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80133 49833175 1 BrO11C41H63 AB11C41D63 -422.97 6.16 -9.22 -0.16 0
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80134 49833196 1 FN2O3C25H31 AB2C3D25E31 -117.65 3.49 -9.04 -0.26 0
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80135 49833203 1 O3N4C25H28 A3B4C25D28 -70.78 4.55 -8.61 -0.19 0
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80138 49833213 1 NBr2O7H19C24 AB2C7D19E24 -205.38 5.28 -8.9 -1.17 0
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80139 49833219 1 SF3O7C36H37 AB3C7D36E37 -386.64 9.56 -8.78 -0.91 0
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80140 49833221 1 BrOC11H11 ABC11D11 -26.02 2.53 -9.6 -0.33 0
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80141 49833223 1 BrO2N3C23H28 AB2C3D23E28 -30.23 4.43 -9.42 -0.17 0
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80142 49833226 1 BrF2O2N3C25H30 AB2C2D3E25F30 -115.99 4.3 -8.73 -1.08 0
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80143 49833229 1 N2Cl3O5H21C31 A2B3C5D21E31 -104.9 2.98 -8.9 -0.85 0
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80144 49833230 2 ClNO2H10C13 ABC2D10E13 -95.55 3.49 -8.93 -1.04 0
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80145 49833236 1 O2N8H32C35 A2B8C32D35 107.34 9.59 -8.13 -0.79 0
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80146 49833242 1 ClO2N5C22H22 AB2C5D22E22 1.78 4.09 -8.5 -0.78 0
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80147 49833245 1 ON6H22C24 AB6C22D24 73.04 2.52 -8.57 -1.16 0
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80148 49833247 1 O2N5H19C24 A2B5C19D24 31.72 3.96 -8.85 -1.06 0
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80149 49833249 1 O2N5H19C23 A2B5C19D23 35.86 2.57 -8.86 -1.08 0
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80150 49833250 1 ClFO3N5H19C24 ABC3D5E19F24 -29.72 1.9 -8.8 -1.54 0
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80151 49833257 1 Cl2N3O3C31H33 A2B3C3D31E33 -68.22 3.71 -8.71 -0.5 0
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80152 49833266 1 SO4N8H26C31 AB4C8D26E31 -0.47 10.75 -9.07 -1.45 0
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80153 49833269 1 N4C17H20 A4B17C20 96.6 2.36 -8.86 -0.48 0
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80154 49833280 1 OSN6C21H22 ABC6D21E22 113.72 5.03 -9.2 -1.01 0
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80155 49833284 1 FCl2O3N9H30C40 AB2C3D9E30F40 66.26 7.99 -9.32 -1.21 0
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80156 49833292 1 F3O3N5H12C17 A3B3C5D12E17 -99.15 4.94 -9.24 -0.98 0
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80157 49833295 1 OSN7C25H31 ABC7D25E31 78.37 9.65 -8.65 -1.2 0