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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401153 135050350 1 NO2C31H33 AB2C31D33 -6.55 4.69 -8.12 -0.38 0
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401154 135050352 1 NO2C31H33 AB2C31D33 -5.86 2.77 -8.21 -0.35 0
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401156 135050356 1 NOC13H17 ABC13D17 -18.56 2.75 -8.88 0.35 0
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401157 135050359 1 ON2C18H32 AB2C18D32 -55.75 1.33 -8.65 0.52 0
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401158 135050372 1 NO9C26H31 AB9C26D31 -334.53 3.43 -9.11 -0.53 0
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401159 135050376 1 NO3C23H39 AB3C23D39 -130.91 3.34 -9.35 0.33 0
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401160 135050380 1 LiOSnC19H39 ABCD19E39 -20.93 29.79 -5.19 -1.3 0
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401161 135050396 2 O2C8H15 A2B8C15 -227.6 2.97 -9.83 1.7 0
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401162 135050397 1 O5C17H30 A5B17C30 -273.34 3.17 -9.8 0.24 0
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401163 135050399 1 NO3C7H13 AB3C7D13 -136.56 3.33 -9.74 0.13 0
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401164 135050400 1 LiOC17H23 ABC17D23 19.85 30.27 -5.33 -0.97 0
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401165 135050401 1 OC17H24 AB17C24 -47.26 1.98 -8.66 0.21 0
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401168 135050407 1 MgSnC25H42 ABC25D42 153.97 6.72 -4.73 -3.07 0
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401169 135050409 1 Co2O7C18H18 A2B7C18D18 -251.12 17.25 -10.6 -6.71 0
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401170 135050410 1 NAl2C28H47 AB2C28D47 -47.49 1.66 -8.12 0.25 0
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401171 135050412 1 SO5C24H26 AB5C24D26 -150.88 2.74 -9.5 -0.25 0
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401172 135050423 1 NSO3C15H21 ABC3D15E21 -106.43 5.08 -10.1 -1.08 0
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401173 135050427 1 BrNOC22H28 ABCD22E28 -28.48 5.45 -9.41 -0.04 0
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401174 135050429 1 Si2O6C43H66 A2B6C43D66 -364.18 1.75 -9.1 -0.24 0
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401175 135050431 1 O3C10H18 A3B10C18 -139.68 2.66 -9.91 0.32 0
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401176 135050434 1 NSiO3C20H33 ABC3D20E33 -164.21 1.95 -8.5 0.28 0
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401177 135050437 1 AlNC11H24 ABC11D24 -43.7 3.57 -9.33 1.46 0
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401178 135050441 1 OC12H24 AB12C24 -70.76 2.76 -9.95 2.36 0
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401179 135050448 1 LiNOC16H22 ABCD16E22 15.55 5.38 -7.24 0.04 0
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401180 135050450 1 LiNC6H12 ABC6D12 6.6 4.76 -6.01 3.73 -1
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401181 135050493 1 InC20H24 AB20C24 110.12 1.6 0.0 0.0 0
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401182 135050498 1 NSC18H23 ABC18D23 30.56 1.99 -8.34 0.11 0
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401183 135050499 1 LiOC5H9 ABC5D9 -20.04 3.31 -6.96 0.83 0
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401184 135050504 1 NSO3C20H31 ABC3D20E31 -149.91 4.44 -8.96 0.02 0
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401185 135050505 1 N3O3C31H43 A3B3C31D43 -87.61 3.47 -8.38 -0.05 0
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401186 135050510 1 NOSC18H21 ABCD18E21 22.22 3.36 -8.44 -0.09 0
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401187 135050515 1 O5C17H24 A5B17C24 -229.44 0.45 -9.74 -0.01 0
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401188 135050524 1 AlO4C9H15 AB4C9D15 -242.22 4.94 -10.58 -0.05 0
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401189 135050530 1 N2O5C26H34 A2B5C26D34 -142.43 2.3 -7.97 0.14 0
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401191 135050536 1 AlO2C11H24 AB2C11D24 -108.89 2.48 0.0 0.0 0
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401192 135050538 1 NSO2C16H19 ABC2D16E19 -24.59 4.47 -8.15 -0.64 0
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401193 135050539 1 ClCo2O7C18H19 AB2C7D18E19 -300.16 19.32 -10.13 -6.92 0
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401194 135050548 1 O2C35H38 A2B35C38 -17.17 2.21 -8.53 -0.53 0
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401195 135050549 1 SnN2O2C33H60 AB2C2D33E60 -127.98 4.69 -8.57 0.36 0
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401196 135050550 1 ON2C30H32 AB2C30D32 45.4 2.16 -8.56 -0.7 0
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401197 135050552 1 SO8C19H26 AB8C19D26 -338.05 5.12 -9.85 -0.5 0
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401198 135050553 1 NOC18H27 ABC18D27 -45.25 3.92 -9.26 0.4 0
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401199 135050554 1 LiO2C5H9 AB2C5D9 -80.87 6.98 -7.5 2.96 0
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401200 135050555 2 LiSiO4C20H39 ABC4D20E39 -566.83 15.36 -6.8 0.78 0
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401201 135050556 2 SiO4C20H40 AB4C20D40 -585.54 1.22 -8.8 0.95 0
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401202 135050557 2 NSiO4C21H39 ABC4D21E39 -510.67 4.14 -8.9 0.45 0
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401203 135050558 1 SiO3C23H38 AB3C23D38 -213.9 3.52 -8.63 0.04 0
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401204 135050561 1 TiO2C9H24 AB2C9D24 -26.69 14.29 -7.0 -3.99 0
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401205 135050562 1 NOSC16H19 ABCD16E19 3.43 2.64 -8.1 -0.33 0
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401206 135050563 1 NSO4C19H23 ABC4D19E23 -102.84 6.98 -9.57 -0.45 0