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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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111587 50373646 1 ClO4N5C31H40 AB4C5D31E40 -169.17 6.09 -9.03 -0.56 0
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111588 50373647 1 O4N5C34H47 A4B5C34D47 -177.29 9.23 -8.85 -0.07 0
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111589 50373648 1 BrClO4N5C31H39 ABC4D5E31F39 -161.28 5.89 -9.18 -0.6 0
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111590 50373677 1 O5N6C37H50 A5B6C37D50 -214.9 5.36 -8.85 -0.19 0
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111591 50373678 1 O5N6C38H52 A5B6C38D52 -225.03 13.43 -8.72 -0.43 0
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111592 50373796 1 O5N6C38H52 A5B6C38D52 -218.2 9.47 -8.9 -0.63 0
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111593 50373797 1 O5N6C33H44 A5B6C33D44 -211.11 7.68 -8.64 -0.31 0
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111594 50373818 1 ClO5N6C33H43 AB5C6D33E43 -192.59 6.45 -9.17 -0.87 0
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111595 50373906 1 FO5N6C33H43 AB5C6D33E43 -266.5 9.84 -8.51 -0.54 0
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111596 50374014 1 ClN6O6C38H45 AB6C6D38E45 -215.74 7.25 -8.92 -0.88 0
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111597 50374015 3 N2O2C13H16 A2B2C13D16 -220.28 3.05 -8.54 -0.47 0
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111598 50374078 1 O5N6C40H58 A5B6C40D58 -250.12 3.79 -8.94 -0.26 0
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111599 50374111 1 F2O5N6C38H44 A2B5C6D38E44 -269.0 2.38 -8.76 -1.07 0
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111600 50374115 1 O5N6C39H48 A5B6C39D48 -182.05 8.87 -8.93 -0.8 0
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111601 50374220 1 FO5N6C40H49 AB5C6D40E49 -240.03 8.75 -8.76 -0.81 0
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111602 50374288 1 ClO5N6C36H49 AB5C6D36E49 -235.72 10.56 -9.26 -0.61 0
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111603 50374462 1 FO5N6C39H47 AB5C6D39E47 -233.25 6.98 -8.75 -0.43 0
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111604 50374498 1 N6O6C35H48 A6B6C35D48 -248.99 7.51 -8.66 -0.21 0
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111605 50374499 2 N3O3C17H23 A3B3C17D23 -251.36 1.92 -8.36 -0.12 0
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111606 50374662 3 N2O2C13H16 A2B2C13D16 -212.87 4.01 -8.4 -0.66 0
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111607 50374675 3 N2O2C13H16 A2B2C13D16 -215.45 7.11 -8.75 -0.5 0
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111608 50374729 1 ClO5N6C38H51 AB5C6D38E51 -239.22 6.03 -8.58 -0.45 0
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111609 50374759 1 O5N6C40H56 A5B6C40D56 -239.97 11.16 -8.97 -0.39 0
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111610 50374875 1 O5N6C38H52 A5B6C38D52 -234.29 6.01 -8.78 -0.46 0
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111611 50374879 1 O5N6C34H46 A5B6C34D46 -213.98 6.92 -8.81 -0.39 0