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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398161 135032063 1 NSiO5C25H41 ABC5D25E41 -264.95 4.51 -8.92 -0.15 0
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398162 135032064 1 O3C16H24 A3B16C24 -138.69 3.15 -9.78 -0.01 0
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398163 135032069 1 O2S3N4H40C55 A2B3C4D40E55 294.03 3.35 -8.07 -1.56 0
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398165 135032081 1 SN2F3O6H17C18 AB2C3D6E17F18 -246.06 12.18 -9.79 -1.27 1
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398166 135032085 1 N2O4C16H25 A2B4C16D25 -97.11 6.43 0.0 0.0 0
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398167 135032125 1 NS2O5C15H15 AB2C5D15E15 -161.71 6.83 -8.54 -1.58 0
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398168 135032132 1 FC13H13 AB13C13 -10.89 1.59 -8.78 -0.11 0
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398169 135032136 2 SO4H14C16 AB4C14D16 -173.09 4.17 -7.71 -0.66 0
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398170 135032137 1 OC20H24 AB20C24 -22.35 1.63 -8.79 0.5 0
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398171 135032140 1 OS2H16C17 AB2C16D17 11.99 2.19 -9.0 -0.05 0
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398172 135032143 1 NOC8H13 ABC8D13 -9.37 3.05 -10.13 0.14 0
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398173 135032145 3 OC6H6 AB6C6 -92.48 4.96 -8.96 -0.41 0
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398174 135032146 1 OBr2N2H14C19 AB2C2D14E19 92.22 5.63 -9.18 -1.33 0
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398175 135032147 1 BrON2H13C19 ABC2D13E19 118.61 7.24 -9.28 -1.13 0
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398176 135032154 1 ON3C23H29 AB3C23D29 6.34 4.77 -8.85 0.16 0
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398177 135032159 1 ClON3C19H20 ABC3D19E20 20.39 2.47 -9.06 -0.36 0
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398178 135032161 1 ClON3C19H20 ABC3D19E20 20.41 2.35 -9.06 -0.38 0
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398179 135032165 1 O3N4C19H20 A3B4C19D20 25.27 3.12 -9.32 -1.52 0
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398180 135032166 1 OF3N3H18C19 AB3C3D18E19 -108.5 3.49 -9.02 -0.89 0
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398181 135032167 1 ON3C23H23 AB3C23D23 47.77 4.1 -8.85 -0.67 0
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398182 135032174 1 ClNH14C23 ABC14D23 106.16 0.92 -8.4 -1.61 0
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398183 135032181 1 N2O2F3H15C21 A2B2C3D15E21 -152.58 3.55 -9.02 -1.39 0
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398184 135032192 1 NS2O5C16H17 AB2C5D16E17 -172.75 3.98 -8.83 -1.63 0
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398185 135032206 1 ClN2O2H13C16 AB2C2D13E16 -31.28 4.98 -8.96 -0.47 1
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398187 135032225 1 FNO3H24C30 ABC3D24E30 -75.81 5.67 -8.75 -0.37 0
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398188 135032226 1 N3O8C23H35 A3B8C23D35 -360.55 5.79 -9.49 0.31 0
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398189 135032227 1 N5F6C19H21 A5B6C19D21 -218.76 4.04 -9.21 -0.79 0
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398190 135032229 1 ClO3F4C21H23 AB3C4D21E23 -316.45 2.32 -8.9 0.0 0
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398191 135032249 1 N2O10C19H28 A2B10C19D28 -459.68 4.78 -9.71 0.26 0
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398192 135032250 1 HNSI2C5 ABCD2E5 97.75 3.57 -9.77 -1.74 0
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398193 135032256 1 NO3C15H17 AB3C15D17 -126.7 2.45 -8.87 -0.2 0
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398194 135032264 1 N2O6H20C23 A2B6C20D23 -186.58 5.57 -10.23 -1.46 0
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398195 135032274 1 NOSC18H21 ABCD18E21 -25.1 6.55 -8.22 -0.85 0
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398197 135032285 2 NC10H19 AB10C19 -66.32 3.64 -8.84 3.21 0
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398198 135032287 2 BrH8C13 AB8C13 177.52 2.41 -8.7 -0.94 0
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398199 135032288 4 H6C7 A6B7 102.75 0.76 -8.67 -0.32 0
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398200 135032296 1 OSiC12H20 ABC12D20 -43.32 2.99 -9.21 0.32 0
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398201 135032299 3 OH4C10 AB4C10 139.74 3.82 -8.53 -1.13 0
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398202 135032301 2 O3C11H15 A3B11C15 -281.29 4.9 -9.92 -0.49 0
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398203 135032306 1 N2O3C16H18 A2B3C16D18 -69.74 7.77 -8.77 -0.82 0
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398204 135032308 1 N2O3C17H20 A2B3C17D20 -75.59 7.48 -8.89 -0.88 0
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398205 135032309 1 N2O3C16H16 A2B3C16D16 -63.66 6.03 -8.83 -0.85 0
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398206 135032311 1 N2O3H14C18 A2B3C14D18 -22.87 7.16 -8.91 -0.91 0
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398207 135032313 1 N2O3H16C19 A2B3C16D19 -32.64 8.05 -8.78 -0.83 0
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398208 135032314 1 F2N2O3H18C25 A2B2C3D18E25 -92.54 6.81 -8.93 -0.99 0
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398209 135032315 1 N2O3H24C27 A2B3C24D27 -16.82 7.41 -8.62 -0.74 0
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398210 135032319 1 FO3H13C14 AB3C13D14 -125.76 2.71 -9.7 -0.54 0
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398211 135032320 2 ON2C10H10 AB2C10D10 32.4 9.03 -8.11 -0.45 0
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398212 135032321 2 NO2H10C12 AB2C10D12 -78.76 3.94 -8.28 -0.81 0
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398213 135032326 1 O2N7C24H35 A2B7C24D35 -19.62 10.67 -8.7 -0.31 0
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398214 135032331 3 H9C10 A9B10 115.97 1.17 0.0 0.0 0
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398215 135032333 1 N2O5C19H32 A2B5C19D32 -168.52 5.14 -8.57 -0.21 0
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398216 135032334 3 H8C11 A8B11 254.19 0.39 -8.35 -0.8 0
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398217 135032341 1 N2S2O3H14C15 A2B2C3D14E15 -26.72 6.5 -8.92 -1.89 0
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398218 135032342 1 NS2O7C19H23 AB2C7D19E23 -244.3 6.6 -8.85 -1.76 0
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398219 135032343 1 ClNS2O4C16H16 ABC2D4E16F16 -126.72 6.05 -8.82 -1.8 0
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398220 135032344 1 NS2O6C19H21 AB2C6D19E21 -217.03 6.2 -9.41 -1.28 0
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398221 135032347 1 NS3O4H17C19 AB3C4D17E19 -83.59 6.5 -8.81 -1.77 0
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398222 135032349 1 N2S2O5C17H20 A2B2C5D17E20 -129.3 6.49 -8.89 -1.78 0
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398223 135032351 1 ClRuN2P2H10 ABC2D2E10 124.01 1.74 0.0 0.0 0
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398224 135032352 2 O3H18C19 A3B18C19 -104.18 1.13 -9.1 -0.79 0
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398225 135032353 2 O3H18C19 A3B18C19 -110.71 7.44 -9.06 -1.05 0
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398226 135032358 2 O3S6C21H22 A3B6C21D22 -236.33 7.89 -7.76 -1.08 0
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398227 135032362 1 NO4C16H21 AB4C16D21 -92.48 3.53 -9.99 0.38 0
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398228 135032365 1 SSiO5C24H40 ABC5D24E40 -280.44 2.88 -8.63 -0.8 0
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398229 135032371 1 NO2C22H23 AB2C22D23 -14.36 4.88 -7.7 0.0 0
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398230 135032379 1 O2N4C33H38 A2B4C33D38 -11.44 3.32 -8.33 0.0 0
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398231 135032381 1 BrSiN3O4C32H46 ABC3D4E32F46 -220.41 2.86 -8.48 -0.41 0
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398232 135032389 1 NSO2C8H9 ABC2D8E9 -12.11 5.69 -8.59 -0.59 0
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398233 135032392 1 NO3C18H21 AB3C18D21 -30.18 1.39 -8.18 -0.05 -2
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398234 135032395 2 NO2C9H11 AB2C9D11 -93.99 2.01 -9.69 -0.37 0
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398235 135032406 1 OC12H22 AB12C22 -66.29 1.28 -9.46 1.43 0
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398236 135032413 2 BrO7H29C36 AB7C29D36 -253.46 5.49 -8.8 -1.04 0
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398237 135032415 1 O2S13C40H44 A2B13C40D44 -63.48 4.97 -7.74 -0.71 1
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398238 135032421 1 NOSH12C15 ABCD12E15 26.33 3.59 0.0 0.0 0
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398239 135032431 1 O2H18C21 A2B18C21 15.99 2.93 -9.02 -0.63 0
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398240 135032432 1 OSH18C21 ABC18D21 50.77 3.07 -8.97 -0.95 0
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398241 135032437 1 BrOH19C23 ABC19D23 48.29 2.44 -9.09 -0.79 0
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398242 135032451 1 O2N4H26C27 A2B4C26D27 60.5 7.01 -8.87 -0.21 0
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398243 135032453 1 NO6H11C14 AB6C11D14 -207.03 3.94 -9.99 -1.56 0
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398244 135032458 1 NO2F3H14C16 AB2C3D14E16 -204.11 4.77 -9.99 -0.99 0
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398245 135032469 1 NO2C19H19 AB2C19D19 -51.23 4.18 -9.39 -0.87 0
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398246 135032474 1 O4C17H20 A4B17C20 -139.74 4.27 -9.24 -0.63 0
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398247 135032491 1 N2H24C25 A2B24C25 90.21 2.3 -8.35 0.07 0
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398248 135032494 1 F5H11C16 A5B11C16 -173.74 1.92 -9.37 -1.15 0
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398249 135032496 1 N2O2C15H18 A2B2C15D18 32.86 6.79 -10.01 -0.79 0
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398250 135032497 1 NO2H7C11 AB2C7D11 -3.78 6.25 -9.91 -1.54 0
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398251 135032502 1 OF3C17H17 AB3C17D17 -172.71 3.27 -8.8 -0.49 0
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398252 135032503 1 SO3H12C20 AB3C12D20 -21.06 4.7 -8.79 -1.5 0
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398253 135032504 1 O2N3H13C21 A2B3C13D21 67.5 10.03 -9.1 -1.55 0
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398254 135032505 1 FO2N3H12C21 AB2C3D12E21 17.22 6.61 -9.27 -1.9 0
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398255 135032506 1 ClO2N3H12C21 AB2C3D12E21 54.01 6.51 -9.28 -1.9 0
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398256 135032513 1 O3H16C17 A3B16C17 -82.43 4.32 -9.52 -0.6 -1
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398258 135032543 4 OC5H5 AB5C5 -118.56 2.33 -9.66 -0.56 0
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398259 135032560 1 O3C10H12 A3B10C12 -84.94 1.02 -8.83 -0.08 0
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398260 135032562 1 O2F4H14C17 A2B4C14D17 -198.61 2.75 -8.52 -0.71 1
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398261 135032570 1 O3C8H9 A3B8C9 -34.49 2.6 0.0 0.0 0
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398262 135032571 1 NO5C14H17 AB5C14D17 -194.69 1.84 -10.36 -1.06 0
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398263 135032573 2 NOC10H10 ABC10D10 9.86 3.68 -8.4 -0.74 0
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398264 135032576 1 O16C29H36 A16B29C36 -673.93 2.0 -9.88 -0.1 0