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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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94214 49999081 1 O5N6C37H52 A5B6C37D52 -229.48 5.3 -8.84 -0.56 0
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94215 49999107 1 O5N6C37H52 A5B6C37D52 -229.11 8.91 -8.82 -0.66 0
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94216 49999109 1 O5N6C37H52 A5B6C37D52 -227.55 11.19 -8.76 -0.58 0
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94217 49999115 1 ClO5N6C32H43 AB5C6D32E43 -228.47 12.74 -8.78 -1.06 0
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94218 49999119 1 ClO5N6C35H47 AB5C6D35E47 -227.0 1.66 -8.92 -0.7 0
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94219 49999120 1 ClN6O6C33H43 AB6C6D33E43 -250.21 13.07 -8.99 -0.81 0
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94220 49999121 1 ClO5N6C34H45 AB5C6D34E45 -232.22 5.68 -8.73 -0.89 0
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94221 49999127 1 ClO5N6C36H43 AB5C6D36E43 -199.25 7.87 -8.7 -0.79 0
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94222 49999130 1 ClO5N6C32H43 AB5C6D32E43 -229.97 7.92 -8.76 -0.41 0
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94223 49999134 1 ClO5N6C35H47 AB5C6D35E47 -231.56 9.38 -8.77 -0.25 0
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94224 49999135 1 ClO5N6C36H43 AB5C6D36E43 -192.39 6.46 -8.56 -0.56 0
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94226 49999139 1 Cl2O4N5C29H37 A2B4C5D29E37 -183.7 6.52 -8.9 -0.81 0
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94227 49999140 1 F2O5N6C39H46 A2B5C6D39E46 -278.27 8.68 -8.83 -1.0 0
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94228 49999141 1 O5N6C39H48 A5B6C39D48 -179.61 7.77 -8.76 -0.54 0
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94230 49999152 1 ClO5N6C29H37 AB5C6D29E37 -207.52 9.68 -8.93 -0.9 0
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94231 49999154 1 ClO5N6C32H43 AB5C6D32E43 -227.36 10.38 -9.01 -0.64 0
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94232 49999159 1 ClO5N6C33H45 AB5C6D33E45 -230.87 6.74 -8.69 -0.36 0
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94233 49999165 1 FO5N6C41H51 AB5C6D41E51 -248.07 5.08 -8.68 -0.49 0
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94234 49999200 1 N6O6C37H52 A6B6C37D52 -259.34 2.67 -8.71 -0.52 0
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94236 49999223 1 O4N5C37H51 A4B5C37D51 -184.49 8.34 -8.71 -0.04 0
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94237 49999247 1 ClO5N6C40H55 AB5C6D40E55 -240.95 8.51 -8.8 -0.56 0
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94238 49999253 1 O5N6C39H56 A5B6C39D56 -247.73 5.05 -8.23 -0.12 0
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94239 49999255 1 ClO5N6C42H53 AB5C6D42E53 -211.25 5.51 -8.38 -0.68 0
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94240 49999257 1 FO5N6C43H55 AB5C6D43E55 -262.44 6.91 -8.45 -0.46 0
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94241 49999258 1 O5N6C42H60 A5B6C42D60 -251.26 6.66 -8.22 -0.19 0