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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
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187129 77533962 1 SN3O3C10H15 AB3C3D10E15 -101.45 6.7 -9.73 -1.12 0
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187130 77534552 1 N4O5C46H64 A4B5C46D64 -173.18 15.45 -8.26 -1.18 0
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187131 77534553 1 FN2O3C19H19 AB2C3D19E19 -123.59 2.05 -8.33 -0.68 0
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187132 77534554 1 NCl2O3C17H17 AB2C3D17E17 -95.12 5.52 -9.52 -0.57 0
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187133 77534555 1 SN3O4C32H45 AB3C4D32E45 -184.45 2.35 -8.09 -0.27 0
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187134 77534556 1 BrON4C15H17 ABC4D15E17 41.92 6.0 -9.23 -0.77 0
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187135 77534557 1 N5O10C27H45 A5B10C27D45 -476.55 7.24 -9.9 -0.12 0
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187136 77534558 1 N5O10C27H45 A5B10C27D45 -468.96 5.21 -9.79 0.14 0
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187137 77534559 1 SF3N3O4C43H46 AB3C3D4E43F46 -260.8 10.08 -8.08 -1.32 0
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187138 77534560 1 SF3N3O4C43H46 AB3C3D4E43F46 -251.71 5.38 -8.33 -1.24 0
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187139 77534561 1 NO2C21H29 AB2C21D29 -74.81 3.77 -7.63 0.16 0
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187140 77534562 1 N3O4C33H35 A3B4C33D35 4.78 6.67 -9.21 -1.8 0
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187141 77535314 1 ClF3N4O4C27H30 AB3C4D4E27F30 -284.3 2.18 -8.87 -0.86 0
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187142 77535315 1 F3N4O4C27H29 A3B4C4D27E29 -254.97 6.56 -8.89 -0.78 0
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187143 77535316 2 ClNO2C11H18 ABC2D11E18 -227.74 7.12 -8.94 -0.54 0
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187144 77535425 2 OC10H15 AB10C15 -123.62 5.04 -10.07 0.52 0
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187145 77535481 1 O3N4C22H28 A3B4C22D28 -80.14 8.92 -9.42 -0.2 0
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187146 77535567 3 NO2C5H7 AB2C5D7 -238.05 1.64 -9.51 0.19 0
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187147 77535652 2 N2O2C15H15 A2B2C15D15 -61.96 7.15 -9.1 -0.57 0
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187148 77535653 1 ClO3N5C36H42 AB3C5D36E42 -73.57 8.21 -9.05 -0.45 0
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187149 77535964 1 N7O9C27H47 A7B9C27D47 -389.92 4.66 -8.82 -0.15 0
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187150 77536034 1 N5O5C19H23 A5B5C19D23 -168.26 8.86 -9.55 -1.03 0
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187151 77536667 1 O4N6C31H46 A4B6C31D46 -143.04 3.34 -9.01 -0.34 0
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187152 77536668 1 O2N4C27H38 A2B4C27D38 -97.12 6.11 -9.07 -0.09 0
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187153 77536669 1 SN4O5C38H46 AB4C5D38E46 -152.72 6.18 -8.96 -0.65 0