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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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187104 77530338 1 BrNH14C18 ABC14D18 66.19 2.61 -9.28 -0.92 0
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187105 77530339 1 O2C21H38 A2B21C38 -66.76 2.45 -10.35 0.63 0
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187106 77530340 1 SCl2O5N6C22H24 AB2C5D6E22F24 -134.48 3.01 -8.71 -0.9 0
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187107 77530341 1 SCl2O5N6C18H18 AB2C5D6E18F18 -114.38 8.41 -9.24 -1.58 0
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187108 77530674 1 FO2N5C24H30 AB2C5D24E30 -40.94 4.08 -8.43 -0.74 0
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187109 77530796 1 SO2N4C16H32 AB2C4D16E32 -104.96 4.06 -8.68 0.56 0
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187110 77530899 1 ClON7C25H28 ABC7D25E28 67.68 3.03 -8.05 -1.68 1
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187111 77530900 1 ClON7C25H31 ABC7D25E31 76.28 5.31 0.0 0.0 0
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187112 77530901 1 ClSO3N5H22C25 ABC3D5E22F25 13.22 7.83 -8.66 -1.21 0
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187113 77530938 1 SN3O4C27H27 AB3C4D27E27 -66.75 8.61 -8.26 -0.79 0
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187114 77530940 2 ClNO2H13C15 ABC2D13E15 -122.26 2.64 -8.62 -0.95 0
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187115 77531165 1 FNO2H8C10 ABC2D8E10 -47.64 3.95 -9.43 -1.46 0
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187116 77531166 3 NO2C4H7 AB2C4D7 -277.46 2.72 -9.72 -0.4 0
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187117 77531690 1 N3O4C16H19 A3B4C16D19 -73.9 12.85 -8.93 -1.1 0
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187118 77531691 1 O3N4H24C25 A3B4C24D25 -4.58 6.36 -8.61 -0.96 0
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187119 77531692 1 F2O3N7C25H27 A2B3C7D25E27 -91.84 8.45 -8.94 -0.92 1
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187120 77531789 1 N2Cl3C7H8 A2B3C7D8 5.9 1.48 0.0 0.0 0
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187121 77532412 1 SF2O3N6C24H26 AB2C3D6E24F26 -94.4 5.19 -8.5 -0.79 0
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187122 77532414 1 ClOF2N5H18C20 ABC2D5E18F20 -18.41 3.5 -8.59 -0.52 0
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187123 77532653 1 SF3O3N6H21C25 AB3C3D6E21F25 -97.78 2.2 -8.86 -0.95 0
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187124 77532654 1 O2N7C23H37 A2B7C23D37 -27.54 7.62 -7.98 -0.16 0
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187125 77532773 1 N4O5C19H24 A4B5C19D24 -172.43 8.64 -8.81 0.0 0
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187126 77533286 1 NO3C12H15 AB3C12D15 -69.9 4.67 -8.95 -0.11 0
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187127 77533733 1 ClFO2N6C24H24 ABC2D6E24F24 -61.11 2.88 -8.88 -1.01 0
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187128 77533734 1 ON5C21H21 AB5C21D21 41.93 2.62 -8.87 -0.94 0