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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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94613 50002661 1 O5N6C36H50 A5B6C36D50 -219.45 6.43 -8.4 -0.14 0
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94614 50002664 2 N3O3C20H25 A3B3C20D25 -228.84 5.91 -8.16 -0.31 0
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94615 50002675 1 ClO5N6C37H49 AB5C6D37E49 -219.0 8.97 -8.9 -0.56 0
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94616 50002702 1 O5N6C35H48 A5B6C35D48 -219.02 3.74 -8.95 -0.47 0
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94617 50002704 1 O5N6C36H48 A5B6C36D48 -207.77 12.2 -9.0 -0.6 0
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94618 50002725 1 O5N6C33H44 A5B6C33D44 -211.9 10.32 -8.74 -0.77 0
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94619 50002727 1 FO5N6C39H47 AB5C6D39E47 -230.12 11.81 -8.83 -0.78 0
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94622 50002742 1 O5N6C38H52 A5B6C38D52 -231.42 5.03 -8.56 -0.27 0
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94623 50002778 1 ClO5N6C38H51 AB5C6D38E51 -237.42 5.53 -9.22 -0.6 0
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94624 50002780 1 ClO5N6C33H43 AB5C6D33E43 -206.62 8.19 -9.01 -0.63 0
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94625 50002786 3 N2O2C13H16 A2B2C13D16 -211.17 6.11 -8.27 -0.77 0
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94626 50002789 2 N3O3C18H25 A3B3C18D25 -266.01 8.28 -8.38 -0.16 0
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94627 50002790 1 N6O6C35H48 A6B6C35D48 -253.89 7.06 -8.13 -0.16 0
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94628 50002791 2 N3O3C17H23 A3B3C17D23 -248.35 1.72 -8.2 -0.2 0
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94629 50002793 1 O4N5C29H39 A4B5C29D39 -173.73 6.04 -8.04 -0.31 0
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94630 50002799 2 N3O3C18H25 A3B3C18D25 -255.76 8.14 -8.87 -0.45 0
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94631 50002801 2 N3O3C18H25 A3B3C18D25 -260.54 8.24 -8.67 -0.29 0
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94632 50002818 1 O3N4C30H42 A3B4C30D42 -137.45 9.69 -8.69 -0.14 0
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94633 50002824 1 O5N6C35H48 A5B6C35D48 -212.41 13.73 -8.82 -0.22 0
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94634 50002835 2 N3O3C17H23 A3B3C17D23 -241.72 5.05 -8.75 -0.33 0
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94635 50002845 1 O5N6C35H48 A5B6C35D48 -229.86 6.79 -8.63 -0.06 0
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94636 50002847 1 O5N6C34H46 A5B6C34D46 -227.56 7.85 -8.66 -0.1 0
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94638 50002862 1 FO5N6C40H49 AB5C6D40E49 -233.96 9.8 -8.91 -0.42 0
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94639 50002863 1 F2O5N6C39H46 A2B5C6D39E46 -278.27 8.55 -9.0 -0.48 0
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94640 50002868 1 O5N6C36H50 A5B6C36D50 -230.57 9.06 -8.67 -0.34 0