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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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221580 85280528 1 ClSO2C11H13 ABC2D11E13 -56.12 3.21 -8.66 -0.57 0
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221581 85280550 1 FON4H11C12 ABC4D11E12 79.24 8.6 -10.17 -2.16 0
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221582 85280579 2 O2C7H8 A2B7C8 -123.86 3.37 -9.41 -0.54 0
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221583 85280585 1 O3C15H20 A3B15C20 -115.82 4.79 -9.47 0.76 0
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221584 85280589 1 SO2C14H16 AB2C14D16 -69.21 2.96 -8.84 -0.1 0
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221585 85280693 1 SiO2C14H26 AB2C14D26 -143.45 1.78 -9.65 0.77 0
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221586 85280712 1 N2O3H12C14 A2B3C12D14 -24.22 8.35 -9.45 -1.44 0
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221587 85280744 1 N2O3C14H14 A2B3C14D14 12.77 4.98 -9.04 -1.16 0
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221588 85281224 1 O2N6C13H16 A2B6C13D16 96.03 9.49 -9.26 -1.28 0
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221589 85281227 1 FON4H11C15 ABC4D11E15 36.98 2.55 -9.85 -2.33 0
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221590 85281228 1 SN2O2F3C10H15 AB2C2D3E10F15 -197.53 13.12 -8.42 -0.9 0
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221592 85281231 1 N2O3C16H16 A2B3C16D16 -63.92 3.42 -8.53 -0.87 0
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221593 85285412 1 Br2O7C19H24 A2B7C19D24 -275.86 3.42 -8.92 -0.57 0
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221594 85285415 1 O5N6H24C28 A5B6C24D28 -62.14 5.08 -9.11 -1.37 0
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221595 85285416 2 NSO3C13H13 ABC3D13E13 -189.06 1.71 -8.89 -0.48 0
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221596 85285420 1 O5C34H36 A5B34C36 -154.76 2.54 -8.4 -0.55 0
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221597 85285451 1 SSiO5C29H38 ABC5D29E38 265.91 14.8 -7.02 -1.84 0
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221598 85285452 1 SeO4C29H36 AB4C29D36 -149.49 2.81 -8.75 -0.55 0
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221599 85285454 1 N5O5C29H29 A5B5C29D29 -84.59 3.73 -9.41 -0.81 0
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221600 85285455 1 NO8C29H37 AB8C29D37 -341.06 2.45 -9.74 -1.44 0
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221601 85285457 1 NSO9C25H37 ABC9D25E37 -396.95 3.03 -9.23 -0.64 0
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221602 85285458 1 SiN5O6C25H33 AB5C6D25E33 -221.87 6.41 -9.2 -0.75 0
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221603 85285460 1 O14C23H28 A14B23C28 -569.45 5.52 -9.48 -1.29 1
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221604 85285461 1 SO6N9C21H22 AB6C9D21E22 22.92 20.66 0.0 0.0 0
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221605 85285701 1 N5O8C26H47 A5B8C26D47 -438.65 5.23 -9.75 0.26 0
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221607 85285706 2 SN3O4H9C11 AB3C4D9E11 -93.29 16.51 -8.08 -1.46 0
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221609 85285709 1 SN2O7C29H38 AB2C7D29E38 -290.55 4.16 -9.04 -0.26 0
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221610 85285711 1 O5C36H46 A5B36C46 -198.45 5.1 -8.74 0.08 0
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221612 85285714 1 Si4O6C25H50 A4B6C25D50 -388.46 2.58 -7.26 0.18 0
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221613 85285715 1 ClO3N4C31H47 AB3C4D31E47 -82.81 61.03 -5.62 -2.78 0
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221614 85285716 1 PN3O11C23H34 AB3C11D23E34 -565.33 1.44 -9.62 -0.29 0
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221615 85285718 1 NO8C32H33 AB8C32D33 -270.92 3.49 -9.16 -0.64 0
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221616 85285720 1 S2O4N5H25C28 A2B4C5D25E28 -11.95 5.88 -8.31 -0.62 0
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221617 85285722 1 BrN5O6C24H26 AB5C6D24E26 -150.0 2.6 -9.4 -0.89 0
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221618 85285723 1 SN4O9C25H28 AB4C9D25E28 -200.77 11.27 -9.91 -1.49 0
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221619 85285724 1 N2O8C31H34 A2B8C31D34 -276.22 8.06 -8.68 -0.13 0
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221620 85285727 2 SiO2C16H28 AB2C16D28 -274.56 3.22 -8.82 0.02 0
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221621 85285735 1 O8C33H38 A8B33C38 -276.81 6.98 -8.71 -0.16 0
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221622 85285737 2 O3N4C13H21 A3B4C13D21 -201.1 5.84 -8.94 -0.9 0
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221623 85285738 1 N2F3O4C31H41 A2B3C4D31E41 -356.16 6.36 -9.34 -0.69 0
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221624 85285739 2 SN3O3C12H15 AB3C3D12E15 -94.37 15.4 -8.53 -0.74 1
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221626 85285744 2 ON2C18H21 AB2C18D21 44.83 3.12 -8.15 -0.14 0
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221627 85285751 1 NSO9C28H37 ABC9D28E37 -378.43 6.62 -9.53 -1.27 0
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221628 85285769 1 N3O4C35H39 A3B4C35D39 -91.97 4.8 -9.46 -0.09 0
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221629 85285783 1 SnO2N3C28H40 AB2C3D28E40 31.79 9.07 0.0 0.0 0
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221630 85285784 1 PF3N4O8C21H44 AB3C4D8E21F44 -615.46 16.0 -9.12 0.22 0
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221631 85285785 1 PN2F3O8C9H14 AB2C3D8E9F14 -547.34 4.2 -10.33 -0.52 0
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221632 85285790 1 SO6H32C34 AB6C32D34 -150.04 3.92 -9.19 -0.18 0
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221633 85285791 1 SN2O8C28H44 AB2C8D28E44 -409.97 4.94 -8.71 -0.51 0
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221634 85285792 1 SiO4C35H56 AB4C35D56 -232.34 1.96 -8.75 0.4 0
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221635 85285793 1 BrSO2N4C28H33 ABC2D4E28F33 26.45 4.39 -8.25 -0.51 0
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221636 85285798 1 OSH7C16F17 ABC7D16E17 -818.65 5.46 -8.98 -0.61 0
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221637 85285799 1 BrS3N5O5H16C19 AB3C5D5E16F19 -46.29 3.29 -8.98 -0.99 0
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221638 85285800 2 O2N3C16H19 A2B3C16D19 -95.81 4.45 -8.62 -0.34 0
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221639 85285801 1 N2O7C32H46 A2B7C32D46 -249.48 6.83 -9.2 0.28 0
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221640 85285806 1 OSnSi2C27H56 ABC2D27E56 -145.26 2.24 -8.99 0.8 0
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221642 85285808 1 BrSiO5C28H47 ABC5D28E47 -306.99 3.48 -8.81 -0.89 0
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221643 85285809 1 NO7C34H37 AB7C34D37 -231.9 1.41 -8.73 -0.23 0
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221644 85285814 1 SO4N6C30H40 AB4C6D30E40 -102.24 7.6 -8.56 -0.64 0
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221645 85285815 1 O5H36C38 A5B36C38 -79.44 3.16 -9.29 -1.05 0
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221646 85285816 2 NO3C17H20 AB3C17D20 -197.63 3.05 -8.56 0.1 0
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221647 85285817 2 NO3C17H20 AB3C17D20 -229.89 4.22 -8.45 0.07 0
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221648 85285822 1 OSi2C36H68 AB2C36D68 -206.98 2.1 -8.63 0.29 0
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221649 85285823 1 N3O8C31H31 A3B8C31D31 -185.92 8.98 -8.9 -1.39 0
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221650 85285824 1 N3O8C30H43 A3B8C30D43 -374.88 5.19 -9.7 -1.27 0
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221651 85285825 1 SiN3O6C31H35 AB3C6D31E35 -148.54 2.01 -9.01 -0.93 0
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221652 85285829 1 NSnO2C30H49 ABC2D30E49 -87.59 2.83 -9.07 0.39 0
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221653 85285830 2 F3N4O4C8H14 A3B4C4D8E14 -603.95 9.12 -10.57 -1.57 0
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221654 85285831 2 O2N4C6H13 A2B4C6D13 -82.5 4.76 -9.05 -1.2 0
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221655 85285832 1 O5N6H26C32 A5B6C26D32 13.93 7.48 -8.69 -0.89 0
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221656 85285837 2 O3C17H35 A3B17C35 -412.0 4.43 -10.15 1.14 0
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221657 85285838 1 ClO6C34H35 AB6C34D35 -155.53 6.69 -9.68 -0.8 0
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221659 85285847 1 PN2O7C30H45 AB2C7D30E45 -368.6 2.77 -9.48 -0.13 0
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221660 85285849 1 N4O4C35H36 A4B4C35D36 -90.26 4.54 -8.52 -0.67 0
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221662 85285852 1 SiO5C35H48 AB5C35D48 -219.99 1.07 -8.99 0.11 0