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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403188 135059085 1 BrNO2C20H20 ABC2D20E20 -42.22 6.26 -8.65 -0.63 0
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403189 135059087 1 NSO3H17C21 ABC3D17E21 -62.53 6.15 -8.74 -0.76 0
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403190 135059113 1 ClSH2F5C10 ABC2D5E10 -170.29 1.24 -9.55 -1.67 0
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403191 135059114 1 NO3C19H23 AB3C19D23 -92.58 6.32 -9.37 -0.84 0
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403192 135059122 1 NSiC26H33 ABC26D33 51.81 2.85 -8.27 -0.18 0
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403193 135059128 1 IOC15H29 ABC15D29 -94.02 1.69 -9.55 -0.74 0
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403194 135059132 1 NPC25H30 ABC25D30 22.48 0.95 -8.62 0.08 0
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403195 135059134 2 N3H14C16 A3B14C16 195.53 3.27 -9.19 -0.83 0
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403196 135059140 2 BrN3H11C15 AB3C11D15 219.73 0.97 -9.31 -1.02 0
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403197 135059142 2 ClN3H11C15 AB3C11D15 198.92 4.05 -9.35 -1.2 0
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403198 135059143 2 N3H8C11 A3B8C11 203.12 3.24 -9.53 -1.29 0
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403199 135059144 1 ClNO4H14C16 ABC4D14E16 -122.3 4.96 -9.26 -1.42 0
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403200 135059146 1 NPSH22C23 ABCD22E23 75.84 1.89 -8.68 -0.16 0
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403201 135059147 1 ClN2O4H11C13 AB2C4D11E13 -18.14 6.61 -9.83 -1.7 0
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403202 135059149 1 ClN5O5C20H20 AB5C5D20E20 -68.27 3.75 -9.95 -1.15 0
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403203 135059150 1 NPSC23H28 ABCD23E28 30.86 1.19 -8.7 -0.09 0
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403204 135059161 1 N3O17C25H35 A3B17C25D35 -654.39 10.33 -10.12 -1.35 0
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403205 135059174 1 ClSO2N4H15C18 ABC2D4E15F18 14.17 2.3 -9.05 -0.87 0
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403206 135059180 1 SiO2C18H28 AB2C18D28 -113.58 2.06 -9.22 -0.26 0
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403207 135059181 1 SiO2C21H34 AB2C21D34 -130.97 3.03 -9.38 -0.1 0
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403208 135059185 1 B2Si2N5C23H43 A2B2C5D23E43 -51.08 6.1 -7.06 0.28 0
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403209 135059187 1 BN2S3C34H41 AB2C3D34E41 68.97 12.31 -6.82 -0.88 1
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403210 135059189 1 ClOH10C14 ABC10D14 18.17 2.59 0.0 0.0 0
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403211 135059190 1 ClO2H11C14 AB2C11D14 -43.67 3.55 -8.97 -0.78 0
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403212 135059203 1 O2F3H13C16 A2B3C13D16 -216.67 5.63 -9.98 -0.91 0
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403213 135059217 1 O3H14C15 A3B14C15 -86.78 5.64 -9.36 -0.39 0
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403214 135059218 1 ClNOH14C15 ABCD14E15 32.85 2.43 -9.31 -0.36 0
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403215 135059220 1 NO3C16H17 AB3C16D17 -83.24 6.35 -8.4 0.04 0
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403216 135059221 1 NO4C13H15 AB4C13D15 -132.88 3.89 -9.39 -0.51 0
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403217 135059224 2 NOC8H9 ABC8D9 -4.85 7.54 -8.9 -0.62 0
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403218 135059226 1 NSO4H21C22 ABC4D21E22 -109.25 4.68 -8.69 -0.45 0
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403219 135059227 1 BrOH17C22 ABC17D22 42.77 1.74 -9.13 -0.71 0
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403220 135059231 1 OC16H18 AB16C18 -13.35 2.34 -8.58 0.4 0
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403221 135059232 1 ClNSO3H18C21 ABCD3E18F21 -74.22 8.1 -9.38 -0.72 0
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403222 135059234 1 NOC17H19 ABC17D19 -20.22 3.97 -9.13 -0.13 0
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403223 135059235 1 NSiO3C23H27 ABC3D23E27 -85.66 3.79 -8.54 -0.49 0
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403224 135059237 1 OH22C28 AB22C28 60.51 1.69 -8.69 -0.72 0
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403225 135059240 1 ClON2C16H17 ABC2D16E17 -12.22 4.21 -9.33 -0.82 0
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403226 135059244 1 BrSiO5C26H31 ABC5D26E31 -157.29 5.76 -9.1 -0.9 0
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403227 135059272 1 N2S2O7C24H26 A2B2C7D24E26 -157.17 3.03 -8.55 -0.6 0
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403228 135059282 1 NH15C16 AB15C16 87.32 1.91 -8.13 -0.19 0
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403229 135059287 1 O2N3H17C18 A2B3C17D18 24.51 4.35 -9.2 -0.38 0
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403230 135059294 1 OF3N6H15C20 AB3C6D15E20 -39.06 5.28 -8.83 -1.41 0
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403231 135059297 1 NO2C11H21 AB2C11D21 -126.96 3.15 -9.3 0.74 0
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403232 135059302 1 OC11H18 AB11C18 -59.08 3.55 -9.71 0.71 0
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403233 135059305 1 BrSO2N4H15C18 ABC2D4E15F18 25.96 2.37 -9.05 -0.9 0
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403234 135059306 1 SO2N5H19C23 AB2C5D19E23 51.3 4.58 -8.91 -0.88 0
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403235 135059307 1 NSO2C23H31 ABC2D23E31 -50.45 5.14 -9.44 -0.25 0
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403236 135059308 1 SO3N4H22C28 AB3C4D22E28 86.18 6.07 -9.07 -0.93 0
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403237 135059311 1 ClSO3N6C19H25 ABC3D6E19F25 -40.04 6.64 -8.64 -0.88 0
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403238 135059319 1 BS2N3C12H12 AB2C3D12E12 95.79 2.79 -7.08 -0.83 0
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403239 135059320 1 BCl2N2C14H19 AB2C2D14E19 -70.52 7.83 -8.49 -0.09 0
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403240 135059321 4 OH3C4 AB3C4 -95.28 1.84 -8.8 -1.13 0
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403241 135059322 1 O4H20C23 A4B20C23 -61.67 1.47 -8.7 -0.4 0
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403242 135059323 1 O5C24H24 A5B24C24 -132.6 1.16 -8.51 -0.38 0
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403243 135059332 1 O5H14C16 A5B14C16 -140.86 7.11 -9.78 -0.88 0
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403244 135059352 1 NSiO2C25H31 ABC2D25E31 -62.53 3.58 -9.11 -0.3 0
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403245 135059353 1 NOSiC24H29 ABCD24E29 -28.38 2.47 -9.22 -0.39 0
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403246 135059361 1 NO3C9H11 AB3C9D11 -81.19 2.13 -10.25 -0.57 0
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403247 135059362 1 OSiC12H20 ABC12D20 -64.74 1.09 -8.53 0.49 0
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403248 135059371 1 BrN2S2O4C15H15 AB2C2D4E15F15 -33.87 3.79 -9.34 -1.91 0
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403249 135059377 2 NOC10H12 ABC10D12 -34.27 3.65 -8.87 -0.67 0
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403250 135059381 1 NOH8F9C16 ABC8D9E16 -468.42 7.17 -9.74 -1.75 0
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403251 135059384 1 BrNSO2C26H42 ABCD2E26F42 -135.76 5.83 -9.28 -0.26 0
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403252 135059386 1 OSiN2C32H42 ABC2D32E42 -24.65 3.69 -8.66 -0.79 0
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403253 135059391 1 NSF3O4H14C22 ABC3D4E14F22 -240.31 8.92 -9.46 -1.42 0
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403254 135059394 1 ON2H14C15 AB2C14D15 3.5 3.52 -8.11 -0.66 0
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403255 135059395 1 ClNSO3H16C24 ABCD3E16F24 -42.31 6.8 -8.87 -1.33 0
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403256 135059398 2 NOH7C8 ABC7D8 -37.31 5.26 -9.76 -0.88 0
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403257 135059400 1 B2Cl2N2O4C21H32 A2B2C2D4E21F32 -316.79 6.35 -8.53 -0.17 0
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403258 135059401 1 BNO3F7H19C24 ABC3D7E19F24 -485.54 7.97 -9.35 -1.37 0
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403259 135059427 1 SiN2O2C20H28 AB2C2D20E28 16.92 10.09 -8.91 -1.02 0
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403260 135059429 1 NO3H17C18 AB3C17D18 -90.87 1.72 -9.15 -0.9 0
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403261 135059432 1 BrN2O4H11C13 AB2C4D11E13 -6.04 6.26 -9.91 -1.72 0
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403262 135059437 1 BrN3O3H16C18 AB3C3D16E18 -19.83 5.16 -9.16 -1.07 0