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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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114827 50498149 1 ClO5N6C37H45 AB5C6D37E45 -180.28 7.77 -8.79 -0.6 0
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114828 50498153 1 ClFO5N6C37H44 ABC5D6E37F44 -236.88 8.56 -8.98 -0.62 0
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114829 50498154 1 ClO5N6C35H49 AB5C6D35E49 -224.7 3.78 -8.86 -0.44 0
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114830 50498157 1 ClF2O5N6C37H43 AB2C5D6E37F43 -272.61 9.56 -8.98 -1.26 0
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114831 50498182 1 ClN6O6C35H45 AB6C6D35E45 -238.94 6.75 -8.83 -0.55 0
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114832 50498261 1 Cl2O5N6C33H44 A2B5C6D33E44 -229.16 3.41 -9.12 -0.81 0
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114833 50498306 1 BrClO4N5C26H31 ABC4D5E26F31 -162.07 4.46 -8.87 -0.7 0
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114834 50498339 1 ClFO5N6C38H46 ABC5D6E38F46 -242.04 2.29 -8.79 -0.65 0
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114835 50498340 1 Cl2O5N6C33H44 A2B5C6D33E44 -229.31 14.17 -8.82 -0.99 0
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114836 50498395 1 ClO5N6C34H45 AB5C6D34E45 -206.06 11.57 -8.92 -0.46 0
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114837 50498398 1 ClFO5N6C37H44 ABC5D6E37F44 -235.75 5.91 -8.87 -0.59 0
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114838 50498441 1 ClFO5N6C32H34 ABC5D6E32F34 -212.37 5.19 -8.68 -0.71 0
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114839 50498606 1 ClO5N6C34H39 AB5C6D34E39 -186.88 7.12 -8.61 -0.69 0
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114840 50498672 1 ClFO5N6C33H36 ABC5D6E33F36 -217.01 9.25 -8.81 -0.71 0
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114841 50498740 1 Cl2O5N6C31H38 A2B5C6D31E38 -216.87 5.62 -8.84 -0.62 0
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114842 50498741 1 Cl3O4N5C25H28 A3B4C5D25E28 -167.96 10.33 -8.96 -0.74 0
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114843 50498742 1 ClO4N5C26H32 AB4C5D26E32 -160.8 6.16 -8.54 -0.79 0
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114844 50498749 1 ClO5N6C30H39 AB5C6D30E39 -212.27 8.61 -9.15 -0.74 0
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114845 50498831 1 ClO5N6C36H49 AB5C6D36E49 -215.38 3.18 -9.02 -0.45 0
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114846 50498914 1 ClFO4N5C30H39 ABC4D5E30F39 -212.98 9.9 -8.79 -0.54 0
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114847 50498992 1 Cl2O5N6C32H40 A2B5C6D32E40 -220.96 9.34 -8.95 -0.83 0
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114848 50499036 1 ClFO5N6C37H44 ABC5D6E37F44 -224.27 9.89 -8.63 -0.91 0
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114849 50499037 1 ClN6O6C38H47 AB6C6D38E47 -221.33 4.17 -8.81 -0.48 0
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114850 50499038 1 Cl2O4N5C29H35 A2B4C5D29E35 -159.94 3.64 -8.98 -0.44 0
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114851 50499039 1 BrCl2O4N5C29H34 AB2C4D5E29F34 -144.4 4.67 -8.89 -0.85 0