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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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446323 135274071 1 N2H30C43 A2B30C43 167.86 4.75 -7.89 -0.68 0
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446324 135274079 1 OSC7H12 ABC7D12 -49.07 1.76 -9.34 0.05 0
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446325 135274081 1 O2C17H30 A2B17C30 -121.87 2.38 -9.56 0.64 0
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446326 135274102 1 S2N4O9C49H56 A2B4C9D49E56 -304.92 14.05 -7.96 -1.63 0
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446327 135274112 1 S2N4O9C49H56 A2B4C9D49E56 -311.26 15.18 -8.17 -1.58 -1
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446328 135274128 1 S3N6O10C65H89 A3B6C10D65E89 -396.08 6.62 0.0 0.0 -1
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446329 135274130 1 S2N5O8C50H58 A2B5C8D50E58 -244.52 9.28 0.0 0.0 -1
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446330 135274143 1 S3N6O10C51H61 A3B6C10D51E61 -323.9 2.52 0.0 0.0 0
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446331 135274158 1 NO3C10H17 AB3C10D17 -149.78 3.8 -9.36 0.44 0
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446332 135274170 2 NO2C10H10 AB2C10D10 -116.42 3.02 -9.46 -0.96 0
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446333 135274175 1 N5O5C21H25 A5B5C21D25 -132.11 3.27 -9.24 -0.86 0
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446334 135274177 1 N2O5C18H22 A2B5C18D22 -190.44 5.28 -9.51 -1.02 0
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446335 135274183 1 NO4C17H17 AB4C17D17 -95.43 3.72 -9.73 -1.1 0
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446336 135274185 1 N2O3C16H18 A2B3C16D18 -86.02 5.29 -9.32 -0.85 0
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446337 135274189 2 N2O2C9H10 A2B2C9D10 -90.04 8.8 -9.54 -1.14 0
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446338 135274195 1 NO5C15H17 AB5C15D17 -187.31 3.84 -9.35 -1.08 0
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446339 135274197 1 NO5C18H19 AB5C18D19 -135.13 5.67 -9.04 -0.81 0
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446340 135274203 1 NO5C22H23 AB5C22D23 -170.99 3.65 -9.56 -0.69 0
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446341 135274210 1 ClNH20C25 ABC20D25 66.55 2.25 -8.29 -0.79 0
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446342 135274217 1 ClIO2N6C23H28 ABC2D6E23F28 10.16 3.92 -8.98 -0.98 0
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446343 135274227 1 NH21C35 AB21C35 158.44 1.4 -8.05 -0.65 0
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446344 135274234 1 PO2N3C6H12 AB2C3D6E12 -101.49 1.78 -9.56 -0.11 0
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446345 135274240 1 O2N3C7H13 A2B3C7D13 -96.85 3.08 -9.63 0.27 0
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446346 135274244 1 S2N3C6H11 A2B3C6D11 14.97 3.26 -8.78 -0.69 0
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446347 135274264 1 NH25C35 AB25C35 155.63 0.58 -8.19 -0.91 0