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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81800 49855174 1 N2S4O11C42H47 A2B4C11D42E47 -356.68 4.61 0.0 0.0 1
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81801 49855176 1 S2N3O5C37H44 A2B3C5D37E44 -125.14 3.93 0.0 0.0 0
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81802 49855180 1 ClFSO3N5H17C18 ABCD3E5F17G18 -81.32 6.28 -8.72 -0.62 0
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81803 49855183 1 ClSO3N5C19H20 ABC3D5E19F20 -47.39 5.52 -8.6 -0.52 0
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81805 49855185 1 ClSO4N5C19H20 ABC4D5E19F20 -75.5 7.16 -8.48 -0.48 0
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81806 49855186 1 ClSO3N5C20H22 ABC3D5E20F22 -52.21 5.69 -8.5 -0.34 0
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81807 49855189 2 N2O3C13H16 A2B3C13D16 -233.3 2.65 -9.04 -0.02 0
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81808 49855190 1 SF3O3N6C24H31 AB3C3D6E24F31 -255.42 5.12 -8.96 -0.89 0
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81809 49855191 1 FSO2N6C18H23 ABC2D6E18F23 -97.09 7.84 -8.86 -0.95 0
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81810 49855192 1 S2F3O3N5C17H18 A2B3C3D5E17F18 -211.95 3.42 -8.94 -1.28 0
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81811 49855193 1 O2S2F3N5C18H20 A2B2C3D5E18F20 -185.63 4.87 -8.62 -0.94 0
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81812 49855195 1 SO2F3N6C22H29 AB2C3D6E22F29 -211.95 6.92 -8.84 -0.78 0
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81813 49855196 1 ClSO4N5H18C23 ABC4D5E18F23 -12.34 4.89 -8.82 -1.54 0
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81814 49855200 1 SN4O5H22C23 AB4C5D22E23 -73.48 5.14 -9.01 -1.31 0
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81815 49855201 1 SN2O4C23H24 AB2C4D23E24 -80.5 7.22 -8.92 -0.65 0
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81816 49855202 1 SF3O4C22H25 AB3C4D22E25 -307.45 5.16 -8.99 -0.59 0
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81817 49855203 1 NSCl2O4C22H23 ABC2D4E22F23 -129.31 7.06 -9.1 -0.82 0
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81818 49855205 1 ClON6C19H21 ABC6D19E21 24.43 5.24 -9.02 -0.89 0
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81819 49855206 1 ClON6C18H19 ABC6D18E19 41.79 6.32 -8.91 -0.82 0
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81820 49855207 1 ClSN3O4H12C18 ABC3D4E12F18 -23.82 6.79 -9.52 -1.78 0
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81821 49855209 1 NSO6C21H21 ABC6D21E21 -196.85 10.53 -8.46 -0.82 0
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81822 49855211 1 NSO7H19C20 ABC7D19E20 -216.84 12.51 -8.71 -1.03 0
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81823 49855213 1 N2O5C17H18 A2B5C17D18 -176.06 5.78 -9.27 -1.46 0
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81824 49855214 1 SN2O8H14C18 AB2C8D14E18 -171.68 10.57 -8.72 -2.0 0
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81825 49855216 1 N2O9C22H24 A2B9C22D24 -353.61 4.74 -8.92 -1.27 0
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81826 49855217 2 ON3H6C8 AB3C6D8 90.69 7.95 -9.34 -1.58 0
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81827 49855218 1 O3N5C14H17 A3B5C14D17 -40.95 3.29 -8.53 -0.15 0
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81828 49855219 1 N2O3C26H30 A2B3C26D30 -41.8 4.89 -8.41 -0.03 0
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81829 49855221 1 O7C23H28 A7B23C28 -227.08 5.31 -8.36 0.14 0
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81830 49855223 1 F2S2N10O17C38H54 A2B2C10D17E38F54 -655.98 13.31 -9.2 -1.2 0
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81831 49855228 1 ClFN5C23H25 ABC5D23E25 14.38 3.72 -8.57 -0.42 0
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81832 49855229 1 ClSO3N6H21C25 ABC3D6E21F25 41.15 10.5 -8.58 -1.04 0
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81833 49855230 1 FO3N4C35H39 AB3C4D35E39 -108.3 7.16 -8.63 -0.63 0
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81834 49855232 1 F2N3O3H13C17 A2B3C3D13E17 -138.44 6.12 -9.7 -1.43 0
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81835 49855233 1 ON7C24H25 AB7C24D25 90.47 9.51 -8.31 -0.62 0
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81836 49855234 1 O3F6C26H38 A3B6C26D38 -502.36 1.91 -10.12 0.04 0
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81837 49855235 1 FS2N5O11C58H74 AB2C5D11E58F74 -468.82 8.72 -8.9 -0.99 0
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81838 49855236 1 FS2N5O5C33H40 AB2C5D5E33F40 -198.33 5.69 -8.87 -0.86 0
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81839 49855238 1 ON4C15H20 AB4C15D20 -6.39 4.17 -8.55 -0.29 0
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81840 49855240 1 SN5O5H21C24 AB5C5D21E24 -59.83 9.82 -9.04 -1.21 0
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81842 49855243 1 Cl2N4O5C35H44 A2B4C5D35E44 -207.75 6.59 -8.78 -0.37 0
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81843 49855244 1 SF2N6O9C47H64 AB2C6D9E47F64 -430.13 10.57 -8.75 -0.82 0
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81844 49855247 1 F3N3O5H16C20 A3B3C5D16E20 -188.06 8.8 -9.45 -0.99 0
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81845 49855248 1 FO2N5C23H24 AB2C5D23E24 -66.74 6.77 -8.86 -0.61 0
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81846 49855249 1 FCl2O4N6C24H35 AB2C4D6E24F35 -213.54 5.92 -8.87 -1.39 0
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81847 49855250 2 ON2C10H15 AB2C10D15 -22.16 9.18 -8.92 -0.81 0
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81848 49855251 1 O2N6C23H24 A2B6C23D24 9.94 1.8 -8.6 -1.01 0
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81849 49855252 1 O7C26H36 A7B26C36 -322.96 4.0 -9.42 0.22 0
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81850 49855253 1 O7C26H36 A7B26C36 -324.47 3.36 -9.35 0.26 0
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81851 49855254 10 OC3H4 AB3C4 -456.83 2.47 -9.3 0.38 0
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81852 49855256 9 OC3H4 AB3C4 -403.91 3.11 -8.79 0.3 0
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81853 49855257 1 F2N2O3H16C21 A2B2C3D16E21 -135.15 3.56 -8.56 -0.62 0
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81854 49855258 1 ClN2O3H17C21 AB2C3D17E21 -53.18 3.04 -8.52 -0.62 0
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81855 49855259 1 F2N2O2H16C21 A2B2C2D16E21 -93.47 2.7 -8.45 -0.96 0
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81856 49855260 1 SO2N7C23H33 AB2C7D23E33 -19.07 12.48 -8.84 -0.7 0
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81857 49855261 1 SO2N7C28H35 AB2C7D28E35 15.53 11.44 -8.91 -0.76 0
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81858 49855262 1 SO2N7C25H37 AB2C7D25E37 -29.55 5.56 -8.87 -0.76 0
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81859 49855263 1 N2O3C18H18 A2B3C18D18 -64.1 0.7 -8.28 -0.58 2
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81861 49855266 2 NOC9H16 ABC9D16 -113.33 4.34 -7.85 1.05 0
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81862 49855268 1 FN3O5C26H26 AB3C5D26E26 -157.79 10.49 -9.27 -1.42 0
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81863 49855269 1 ClSF2O2N3H18C27 ABC2D2E3F18G27 -63.3 6.34 -9.01 -1.54 0
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81864 49855270 1 ClSF2O2N3H18C27 ABC2D2E3F18G27 -64.24 5.83 -8.98 -1.7 0
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81865 49855271 1 ClO2N3H14C19 AB2C3D14E19 60.39 4.18 -8.71 -1.05 0
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81866 49855272 1 ClF2O3N4C18H21 AB2C3D4E18F21 -171.36 4.69 -8.48 -1.21 0
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81867 49855273 1 ClF2O3N4C17H19 AB2C3D4E17F19 -160.72 7.94 -8.49 -0.97 0
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81868 49855276 1 F2O2N5C18H19 A2B2C5D18E19 -94.06 7.73 -8.63 -1.25 0
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81869 49855277 1 ClO3N4C18H23 AB3C4D18E23 -60.94 3.11 -8.22 -0.75 0
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81870 49855278 1 F2O3N5C19H21 A2B3C5D19E21 -127.8 8.48 -8.47 -1.26 0
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81871 49855279 1 ClN3O3C19H24 AB3C3D19E24 -69.13 3.2 -7.95 -0.66 0
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81872 49855280 1 O4N5C25H25 A4B5C25D25 -64.28 2.99 -8.35 -1.37 0
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81873 49855283 1 NF2O6C17H17 AB2C6D17E17 -309.32 5.91 -9.83 -1.8 0
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81874 49855284 1 NF2O6H13C19 AB2C6D13E19 -256.0 10.31 -9.94 -1.9 0
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81875 49855286 1 O2S2N3H19C26 A2B2C3D19E26 36.34 4.56 -8.79 -0.93 0
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81876 49855287 1 S2N3O3H21C27 A2B3C3D21E27 -4.69 4.7 -8.73 -0.95 0
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81877 49855289 1 SO5N6H18C23 AB5C6D18E23 9.5 5.5 -8.85 -1.63 0
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81878 49855290 1 ClSO4N5H20C24 ABC4D5E20F24 -33.91 6.96 -8.63 -1.02 0
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81879 49855295 1 NO3C22H23 AB3C22D23 -76.84 3.84 -8.77 -0.7 0
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81880 49855296 1 FNO3H20C21 ABC3D20E21 -114.28 6.5 -8.97 -0.82 0
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81881 49855297 1 ClOSN4C20H27 ABCD4E20F27 -12.07 8.62 -8.42 -0.56 0
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81882 49855298 1 NO4C15H19 AB4C15D19 -145.04 5.43 -9.04 -0.37 0
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81883 49855301 1 SO3C12H14 AB3C12D14 -75.52 1.44 -9.14 -0.35 0
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81884 49855302 2 OC10H19 AB10C19 -151.77 5.32 -10.67 0.74 0
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81885 49855303 1 NF3O5C24H28 AB3C5D24E28 -264.65 1.33 -8.84 -0.09 0
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81886 49855304 1 NO4C28H29 AB4C28D29 -87.06 6.11 -8.62 -0.89 0
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81887 49855305 1 NO4H25C26 AB4C25D26 -73.32 5.83 -8.67 -0.86 0
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81888 49855306 1 NO5H27C28 AB5C27D28 -114.89 6.52 -8.52 -0.94 0
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81889 49855308 1 SCl2F2N2O12C58H68 AB2C2D2E12F58G68 -574.27 7.81 -8.89 -1.11 0
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81890 49855309 1 NO4H27C28 AB4C27D28 -78.21 7.24 -8.49 -0.92 0
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81891 49855310 1 N2O4C25H34 A2B4C25D34 -120.02 2.74 -8.2 0.19 0
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81892 49855311 18 CH AB 119.9 0.63 -8.68 -0.52 0
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81893 49855312 1 ClNO4C24H28 ABC4D24E28 -141.58 6.17 -8.98 -0.7 1
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81894 49855316 1 N2C23H33 A2B23C33 55.5 2.2 0.0 0.0 1
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81895 49855318 1 N2C21H29 A2B21C29 65.64 1.29 0.0 0.0 0
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81896 49855320 1 FN6O8C23H29 AB6C8D23E29 -299.43 17.11 -9.17 -1.01 0
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81897 49855324 1 ClSN2O3H19C25 ABC2D3E19F25 -23.03 4.25 -8.98 -1.28 0
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81898 49855325 1 N2O2C11H14 A2B2C11D14 -37.07 3.22 -8.98 -0.03 0
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81899 49855327 1 SN2F3O5C15H15 AB2C3D5E15F15 -297.41 13.47 -9.68 -1.28 0
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81900 49855328 1 N2O2F3H13C15 A2B2C3D13E15 -166.13 1.61 -9.21 -1.27 0
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81901 49855329 1 SF3O6C18H19 AB3C6D18E19 -374.88 5.84 -10.28 -1.54 0
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81903 49855331 1 SN5O8C37H55 AB5C8D37E55 -347.56 3.94 -8.98 -1.06 0