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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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294175 117430899 1 NF2O2C14H19 AB2C2D14E19 -160.74 2.71 -8.58 -0.11 0
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294176 117431066 1 O2N3C15H17 A2B3C15D17 -17.1 7.74 -10.11 -0.96 0
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294177 117431419 1 NO2C17H21 AB2C17D21 -55.03 4.23 -9.1 -0.31 0
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294178 117431427 1 NO2C17H21 AB2C17D21 -26.55 1.69 -9.01 0.15 0
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294179 117431598 1 ON3C16H21 AB3C16D21 33.91 2.66 -8.65 -0.22 0
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294180 117431602 1 ON3C16H21 AB3C16D21 33.21 4.88 -8.63 -0.11 0
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294181 117431619 1 N5C15H21 A5B15C21 76.93 2.5 -8.72 -0.37 0
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294182 117431651 1 NO2S2C12H17 AB2C2D12E17 -53.88 5.01 -8.74 -0.8 0
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294183 117431662 1 NOC18H25 ABC18D25 -45.08 3.56 -9.18 0.08 0
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294184 117433758 1 SO5C12H16 AB5C12D16 -205.46 10.75 -9.74 -0.73 0
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294185 117433845 2 NOC8H10 ABC8D10 -49.61 4.58 -8.42 0.1 0
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294186 117433892 2 NOC8H10 ABC8D10 -11.93 6.0 -8.58 -0.41 0
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294187 117433893 2 NOC8H10 ABC8D10 -21.71 6.37 -8.81 -0.46 0
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294188 117433954 1 ON4C15H20 AB4C15D20 43.44 3.14 -8.59 -0.71 0
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294189 117434023 2 OC9H12 AB9C12 -83.65 5.39 -9.48 0.0 0
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294190 117434034 2 OC9H12 AB9C12 -106.44 5.0 -9.25 0.12 0
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294191 117434144 2 NC9H14 AB9C14 -6.74 2.76 -8.63 0.48 0
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294192 117434150 2 NC9H14 AB9C14 -7.73 2.39 -8.65 0.41 0
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294193 117434401 1 ClFO3C13H14 ABC3D13E14 -150.85 6.51 -9.19 -0.51 0
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294194 117434405 1 ClFO3C13H14 ABC3D13E14 -147.03 5.75 -9.02 -0.41 0
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294195 117434472 1 ClFO3C13H14 ABC3D13E14 -142.68 5.08 -9.18 -0.64 0
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294196 117434491 1 ClFO3C13H14 ABC3D13E14 -177.41 3.29 -9.55 -0.87 0
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294197 117434562 1 ClO4C13H17 AB4C13D17 -172.65 5.6 -8.97 -0.23 0
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294198 117434576 1 ClO4C13H17 AB4C13D17 -169.15 8.57 -8.69 -0.25 0
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294199 117434582 1 ClO4C13H17 AB4C13D17 -163.92 3.93 -8.56 -0.25 0