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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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303112 124489223 1 BrC13H19 AB13C19 -11.73 2.18 -9.59 -0.31 0
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303113 124489224 1 NO2C13H19 AB2C13D19 -96.79 4.75 -9.06 0.02 0
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303114 124489226 1 FON3H18C20 ABC3D18E20 -2.8 2.75 -8.61 -1.02 0
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303115 124489227 1 N2O3C22H26 A2B3C22D26 -98.38 4.23 -8.24 0.05 0
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303116 124489229 1 ClN2O3C19H19 AB2C3D19E19 -90.03 3.43 -8.44 -0.38 0
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303117 124489231 1 N2O3C21H24 A2B3C21D24 -90.44 3.65 -8.46 -0.1 0
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303118 124489232 1 N2O3C21H24 A2B3C21D24 -89.48 4.45 -8.26 0.11 0
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303119 124489234 1 N2O3C21H24 A2B3C21D24 -88.84 5.46 -8.18 -0.02 0
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303120 124489235 1 H3N3C6O7 A3B3C6D7 -28.81 1.92 -11.48 -2.76 0
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303121 124489236 2 NOC7H14 ABC7D14 -139.08 2.66 -8.77 1.19 0
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303122 124489237 1 BrON2C13H17 ABC2D13E17 -15.95 4.81 -9.13 -0.52 0
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303123 124489240 1 ON2F3C13H15 AB2C3D13E15 -155.28 5.43 -9.41 -0.96 0
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303124 124489241 1 FON2C14H19 ABC2D14E19 -77.04 5.68 -9.28 -0.29 0
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303125 124489243 1 ClON2C14H19 ABC2D14E19 -40.35 3.96 -9.21 -0.28 0
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303126 124489244 1 ClON2C14H19 ABC2D14E19 -40.0 6.41 -9.18 -0.26 0
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303127 124489245 1 OCl2N2C14H18 AB2C2D14E18 -45.57 4.38 -9.33 -0.46 0
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303128 124489247 1 OSN2C15H18 ABC2D15E18 -2.4 3.41 -8.85 -0.74 0
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303129 124489250 1 OSN2C13H20 ABC2D13E20 -30.13 5.36 -8.92 -0.3 0
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303130 124489251 2 NOC7H10 ABC7D10 -58.24 4.09 -9.15 0.03 0
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303131 124489252 2 NOC7H10 ABC7D10 -58.01 4.12 -9.1 0.08 0
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303132 124489254 1 BrN2O2C15H17 AB2C2D15E17 -29.37 3.02 -9.24 -0.99 0
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303133 124489255 1 BrON2C14H19 ABC2D14E19 -28.5 3.24 -9.29 -0.28 0
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303134 124489256 1 BrON2C14H19 ABC2D14E19 -28.31 2.98 -9.28 -0.26 0
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303135 124489257 1 BrFON2C13H16 ABCD2E13F16 -62.89 4.69 -9.36 -0.81 0
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303136 124489258 1 BrFON2C13H16 ABCD2E13F16 -63.09 5.21 -9.36 -0.84 0