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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393241 135019842 1 SO3C36H74 AB3C36D74 -305.54 3.59 -10.62 0.27 0
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393242 135019850 1 INO4C16H18 ABC4D16E18 -141.18 3.82 -9.31 -1.63 0
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393243 135019854 1 BrNO2C16H18 ABC2D16E18 -35.7 6.09 -8.14 -0.06 0
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393244 135019855 1 O5C26H40 A5B26C40 -232.7 4.42 -9.16 -0.04 0
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393245 135019856 1 NO4C14H23 AB4C14D23 -187.76 0.84 -9.3 0.77 0
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393246 135019877 1 ION2C28H29 ABC2D28E29 67.16 3.87 -9.17 -1.27 0
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393247 135019880 1 ION2H21C25 ABC2D21E25 94.64 3.64 -9.06 -1.22 0
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393248 135019881 1 IN2O3H25C27 AB2C3D25E27 17.79 2.67 -8.42 -1.24 0
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393249 135019882 1 ION2H21C25 ABC2D21E25 81.64 2.58 -8.61 -1.18 0
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393250 135019883 1 ION2C27H27 ABC2D27E27 74.89 4.79 -8.98 -1.19 0
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393251 135019884 1 IN2O2H29C32 AB2C2D29E32 66.72 5.42 -8.84 -1.15 0
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393252 135019885 1 IO2N3H26C32 AB2C3D26E32 101.11 6.49 -8.8 -1.35 0
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393253 135019888 1 O11C13H24 A11B13C24 -496.79 5.48 -10.53 0.61 0
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393254 135019889 1 S2F3O3C18H25 A2B3C3D18E25 -314.81 1.97 -9.04 -1.16 0
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393255 135019894 1 O2N3C18H29 A2B3C18D29 44.57 8.26 -8.52 0.33 0
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393256 135019895 2 O3C6N8 A3B6C8 489.33 0.54 -10.95 -2.71 0
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393257 135019896 1 Si2O4C31H42 A2B4C31D42 -226.43 4.07 -8.83 -0.42 0
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393259 135019899 1 NSiO4C30H53 ABC4D30E53 -276.8 4.21 -8.94 0.01 0
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393260 135019900 1 NO4C21H31 AB4C21D31 -198.37 4.33 -9.31 -0.4 0
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393261 135019903 1 NOH17C19 ABC17D19 21.48 4.9 -8.61 -0.6 0
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393262 135019905 1 NSO6C30H41 ABC6D30E41 -224.58 4.88 -9.04 -0.6 0
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393263 135019906 2 NC11H12 AB11C12 72.87 0.71 -7.85 0.28 0
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393264 135019907 2 OC6H11 AB6C11 -129.32 2.1 -9.4 0.56 0
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393265 135019909 2 N2O5H40C49 A2B5C40D49 -133.58 8.25 -8.47 -1.57 0
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393266 135019910 6 NO2H16C20 AB2C16D20 -123.0 13.33 -8.61 -1.72 0
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393267 135019911 2 NOC12H13 ABC12D13 -33.2 1.08 -8.43 -0.01 0
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393268 135019913 1 N2O5H14C19 A2B5C14D19 11.91 2.6 -10.04 -1.61 0
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393269 135019914 1 SiO3C17H32 AB3C17D32 -215.83 5.94 -8.63 0.69 0
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393270 135019915 1 O3C19H36 A3B19C36 -173.35 3.7 -10.32 0.18 0
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393271 135019916 1 SSeN3O4C30H40 ABC3D4E30F40 -129.41 3.04 0.0 0.0 0
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393272 135019917 1 ClSN2O4C18H25 ABC2D4E18F25 -164.18 2.46 -9.33 -0.28 0
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393273 135019918 1 SN4O4C18H24 AB4C4D18E24 -106.3 11.48 -9.31 -0.66 0
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393274 135019919 1 NSiS2O3C26H41 ABC2D3E26F41 -182.52 4.78 -8.83 -1.05 0
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393275 135019921 1 BrO3H13C16 AB3C13D16 -59.55 2.43 -9.3 -1.05 0
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393276 135019922 1 NSSiO7C23H35 ABCD7E23F35 -347.35 9.77 -8.47 -1.18 0
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393277 135019923 1 SO6C16H20 AB6C16D20 -236.67 7.04 -9.08 -0.73 0
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393278 135019924 1 S2O8C23H26 A2B8C23D26 -285.66 8.24 -8.99 -0.73 0
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393279 135019926 1 NO3H25C26 AB3C25D26 -55.57 3.32 -8.35 -0.55 0
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393280 135019927 1 NPO3C12H20 ABC3D12E20 -173.39 1.27 -9.01 0.45 0
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393281 135019928 1 NO5C19H23 AB5C19D23 -151.7 3.75 -7.97 -0.06 0
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393282 135019930 1 ClOF2N2H13C15 ABC2D2E13F15 -102.71 4.34 -8.94 -0.82 0
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393283 135019931 1 OF2N2C17H18 AB2C2D17E18 -111.99 1.53 -8.61 -0.55 0
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393284 135019932 1 N3O7C34H59 A3B7C34D59 -345.88 7.19 -8.62 0.3 0
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393285 135019936 2 NO3C9H11 AB3C9D11 -240.38 4.36 -9.15 -0.45 0
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393286 135019969 1 NO3C24H33 AB3C24D33 -129.7 6.74 -9.41 -0.23 0
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393287 135019979 1 SiO3C25H34 AB3C25D34 -147.33 0.96 -9.05 0.06 0
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393288 135019983 1 FON2C17H21 ABC2D17E21 -28.43 5.59 -8.68 -0.86 0
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393289 135019993 1 NSiO2C15H27 ABC2D15E27 -135.15 3.63 -8.64 -0.01 0
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393290 135019994 1 BrOSiC20H25 ABCD20E25 -49.01 1.55 -8.57 -0.46 0
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393291 135019996 2 O2C7H9 A2B7C9 -120.07 1.96 -10.4 0.44 0
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393292 135019997 1 NC14H19 AB14C19 33.49 1.61 -8.62 0.46 0
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393293 135020025 1 O3C15H22 A3B15C22 -138.91 5.03 -9.77 -0.07 0
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393294 135020027 2 ClSiC8H8 ABC8D8 -30.07 0.11 -8.52 -0.52 0
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393295 135020030 2 Si2C10H15 A2B10C15 -59.96 0.07 -7.45 0.13 0
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393296 135020032 1 FOSiC20H25 ABCD20E25 -98.85 1.65 -8.5 -0.28 0
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393297 135020033 1 N10O11C40H74 A10B11C40D74 -615.46 7.59 -9.61 0.29 0
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393298 135020034 1 NO4H13C19 AB4C13D19 -20.23 3.6 -9.27 -1.58 0
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393299 135020036 1 O3C11H12 A3B11C12 -89.6 2.3 -9.53 -0.02 0
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393300 135020043 1 OSiC20H38 ABC20D38 -135.41 1.83 -8.67 1.19 0
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393301 135020047 1 OH18C23 AB18C23 90.86 2.92 -8.97 -0.54 0
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393302 135020048 2 NH12C13 AB12C13 106.73 5.01 -8.05 -0.15 0
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393303 135020049 2 NH12C13 AB12C13 93.68 3.18 -7.36 -0.08 1
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393304 135020050 1 N2H25C26 A2B25C26 109.02 3.76 0.0 0.0 0
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393305 135020051 2 NH12C13 AB12C13 84.11 3.19 -7.4 0.17 0
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393306 135020058 1 O6N7H29C34 A6B7C29D34 16.63 7.29 -8.7 -1.71 0
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393307 135020061 1 Br2O6N7H27C34 A2B6C7D27E34 32.15 5.0 -8.81 -1.78 0
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393308 135020063 1 OC8H10 AB8C10 -8.67 0.76 -8.89 -0.47 0
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393309 135020064 1 OC13H20 AB13C20 -18.36 2.97 -9.44 1.13 0
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393310 135020066 1 PSN3O5C30H38 ABC3D5E30F38 -248.02 5.27 -8.85 -0.56 0
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393311 135020067 2 SN2F6H10C12 AB2C6D10E12 -586.42 8.56 -9.07 -1.54 0
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393312 135020078 1 ISiO4C25H33 ABC4D25E33 -165.84 1.89 -9.43 -1.03 0
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393313 135020080 1 NOSH11C15 ABCD11E15 53.36 3.92 -8.51 -0.64 0
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393314 135020081 1 NOSH15C21 ABCD15E21 78.26 3.7 -8.46 -0.65 0
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393315 135020082 1 O2N4C25H32 A2B4C25D32 -28.36 4.95 -8.77 -0.6 2
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393317 135020087 2 NH6C8 AB6C8 126.02 3.04 -8.69 -0.66 0
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393318 135020092 1 N3O4C16H23 A3B4C16D23 -110.79 5.47 -8.92 -0.48 0
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393319 135020095 1 N3O4C16H23 A3B4C16D23 -147.08 4.25 -8.92 -0.28 0
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393320 135020116 1 OSiC22H46 ABC22D46 -173.87 1.45 -8.73 1.21 0
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393321 135020117 1 OSiC22H46 ABC22D46 -178.09 1.52 -8.71 1.22 0
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393322 135020118 1 FNOSH12C17 ABCDE12F17 13.92 2.42 -8.54 -0.46 0
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393323 135020125 1 O5C15H22 A5B15C22 -179.68 12.61 -6.81 -1.72 0
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393325 135020134 1 NO3C17H21 AB3C17D21 -86.7 5.14 -9.62 -0.45 0
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393326 135020141 1 NO2H15C16 AB2C15D16 40.61 4.83 -9.5 -1.08 0
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393327 135020142 1 NO5C20H21 AB5C20D21 -118.65 3.96 -8.72 -0.6 0
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393328 135020161 1 O2N4C25H32 A2B4C25D32 -28.78 0.84 -8.66 -0.7 0
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393329 135020172 1 NO4C23H31 AB4C23D31 -147.61 3.35 -8.47 -0.22 0
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393331 135020178 1 BrO4H17C18 AB4C17D18 -84.15 5.1 -8.76 -0.67 0
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393332 135020179 1 BrO5C19H19 AB5C19D19 -120.36 4.34 -8.92 -0.59 0
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393333 135020180 2 BrO2C9H9 AB2C9D9 -96.07 4.13 -8.61 -0.34 0
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393334 135020181 1 O3C15H16 A3B15C16 -82.36 3.24 -9.19 -0.78 0
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393335 135020184 1 INOH18C22 ABCD18E22 46.43 5.13 -8.31 -0.97 0
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393336 135020186 1 INO2H18C22 ABC2D18E22 16.23 6.07 -8.16 -0.93 0
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393337 135020187 1 NO2H17C22 AB2C17D22 6.9 6.93 -8.19 -1.06 0
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393338 135020195 1 ClNSiH20C27 ABCD20E27 90.59 3.55 -8.2 -0.68 0
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393339 135020197 1 OC12H16 AB12C16 21.77 1.61 -10.07 1.18 0
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393340 135020198 1 O2C17H26 A2B17C26 -92.92 1.82 -8.83 0.27 0
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393341 135020199 1 OC15H24 AB15C24 -15.59 3.68 -9.56 0.63 0
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393342 135020205 1 N3O4C24H27 A3B4C24D27 -57.02 6.01 -9.68 -0.14 0
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393343 135020207 1 SiO3C25H32 AB3C25D32 -117.99 3.25 -9.13 -0.04 0
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393344 135020210 1 SiO2C27H36 AB2C27D36 -105.62 1.24 -9.06 0.05 0