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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140613 52729952 1 ClON3H20C21 ABC3D20E21 26.34 6.01 -8.43 -0.87 1
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140614 52730219 1 BrO2N4C20H28 AB2C4D20E28 -5.98 7.18 0.0 0.0 0
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140615 52730408 1 N3O3C23H29 A3B3C23D29 -110.97 4.61 -8.99 -0.17 1
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140616 52730701 1 O2N3C23H24 A2B3C23D24 -16.67 2.24 0.0 0.0 0
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140617 52730780 1 O2N3C19H21 A2B3C19D21 -41.61 7.37 -9.12 -0.64 0
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140618 52730781 1 N3O3H17C18 A3B3C17D18 -62.76 6.84 -9.19 -0.76 1
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140619 52730782 1 O3N5C20H20 A3B5C20D20 -41.23 8.66 0.0 0.0 1
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140620 52730822 1 O3N4H23C25 A3B4C23D25 -3.04 5.09 0.0 0.0 0
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140621 52731211 1 N3O8C20H29 A3B8C20D29 -249.97 4.19 -9.16 -1.14 0
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140622 52731316 1 FIOSN2H10C16 ABCDE2F10G16 21.59 4.65 -9.17 -1.32 0
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140623 52731555 1 N4H18C19 A4B18C19 98.93 3.91 -8.42 -0.74 0
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140624 52731677 1 OCl2N2H10C11 AB2C2D10E11 11.94 2.8 -9.39 -0.36 0
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140625 52731689 1 ClSN3O3H16C18 ABC3D3E16F18 -36.16 1.79 -9.38 -0.92 0
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140626 52731918 1 N3O3C29H29 A3B3C29D29 -19.08 5.57 -7.85 -0.62 0
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140627 52731919 1 O2N3C27H31 A2B3C27D31 -43.01 3.05 -7.99 -0.17 0
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140628 52731920 1 O2N3C27H31 A2B3C27D31 -45.96 3.82 -7.82 -0.32 0
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140629 52731952 1 SO3N4H22C24 AB3C4D22E24 -11.97 1.95 -9.27 -0.75 0
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140630 52732261 1 OCl2N3H17C18 AB2C3D17E18 12.28 8.0 -8.94 -0.57 0
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140631 52732262 1 OCl2N3H17C18 AB2C3D17E18 11.72 8.59 -8.75 -0.87 1
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140632 52732263 1 O2N3C25H32 A2B3C25D32 -20.32 8.39 0.0 0.0 0
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140633 52733146 1 F3N3O3C17H22 A3B3C3D17E22 -273.92 5.42 -9.64 -1.07 0
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140634 52733953 1 F2N3O3H23C24 A2B3C3D23E24 -141.4 2.18 -9.1 -0.75 0
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140635 52733985 1 FNCl2O3H14C17 ABC2D3E14F17 -149.77 2.69 -9.75 -0.97 0
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140636 52734241 1 OSCl2N5H17C20 ABC2D5E17F20 101.09 4.65 -8.97 -0.92 0
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140637 52734242 1 OSCl2N5C17H19 ABC2D5E17F19 56.72 5.03 -9.06 -0.97 0
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140638 52734715 1 O2N6C23H30 A2B6C23D30 29.23 4.32 -8.92 -0.64 1
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140639 52734716 1 O2N6C23H31 A2B6C23D31 29.92 7.15 0.0 0.0 0
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140640 52734717 1 O2N6C23H30 A2B6C23D30 29.65 6.37 -9.06 -0.66 1
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140641 52734718 1 O2N6C23H31 A2B6C23D31 48.14 13.15 0.0 0.0 1
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140642 52734725 1 OSN2C19H27 ABC2D19E27 -8.17 5.94 0.0 0.0 0
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140643 52734726 1 OSN2C19H26 ABC2D19E26 -12.92 3.4 -8.93 -0.47 1
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140644 52734727 1 OSN2C19H27 ABC2D19E27 -8.28 2.66 0.0 0.0 0
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140645 52734771 1 SN2O6C22H24 AB2C6D22E24 -169.79 7.14 -8.67 -0.84 0
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140646 52735117 2 N2O2C11H16 A2B2C11D16 -143.97 6.34 -9.1 -0.46 0
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140647 52735374 1 O2N3C23H41 A2B3C23D41 -149.85 4.34 -8.23 0.9 0
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140648 52735815 1 SN3O3C24H39 AB3C3D24E39 -152.59 4.43 -8.88 -0.37 0
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140649 52736183 1 F3O3N6H19C20 A3B3C6D19E20 -111.26 4.96 -9.54 -1.51 0
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140650 52736251 1 S3N5H15C18 A3B5C15D18 143.77 6.04 -8.9 -1.23 0
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140651 52736252 1 S3N6H20C21 A3B6C20D21 133.78 2.69 -8.57 -1.28 0
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140652 52737310 1 N2O4C27H30 A2B4C27D30 -144.47 6.82 -8.87 -0.25 0
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140653 52737578 1 O2N5C23H35 A2B5C23D35 -89.95 2.87 -8.45 -0.09 1
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140654 52737579 1 O2N5C23H36 A2B5C23D36 -88.03 1.45 0.0 0.0 0
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140655 52737620 1 ClO2N3C21H32 AB2C3D21E32 -112.6 2.01 -8.69 -0.68 0
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140656 52737931 1 ClN3O3C20H20 AB3C3D20E20 -44.4 4.51 -9.35 -0.71 0
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140657 52737978 1 ClN3O3C25H28 AB3C3D25E28 -85.22 4.04 -8.97 -0.65 0
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140658 52738506 2 ON2C10H18 AB2C10D18 -143.0 5.12 -9.16 1.23 1
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140659 52738507 1 F2O3N4C21H31 A2B3C4D21E31 -222.26 3.12 0.0 0.0 1
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140660 52738529 1 SO3N5C23H36 AB3C5D23E36 -107.02 2.22 0.0 0.0 0
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140661 52738530 1 SO3N5C23H35 AB3C5D23E35 -128.34 2.49 -9.23 -0.71 0
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140662 52738587 1 BrFN2O2C21H24 ABC2D2E21F24 -97.7 1.78 -9.78 -0.36 0