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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
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140663 52738682 1 O2N3C25H25 A2B3C25D25 26.94 3.23 -8.9 -0.86 1
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140664 52738683 1 ClN2O2C20H26 AB2C2D20E26 -52.27 5.08 0.0 0.0 0
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140665 52738698 1 F2N3O5C23H23 A2B3C5D23E23 -263.13 5.47 -9.23 -1.22 0
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140666 52738699 1 ClN2O4C23H25 AB2C4D23E25 -126.72 7.54 -9.18 -0.38 0
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140667 52739042 1 ClSN3O4C21H26 ABC3D4E21F26 -145.91 3.61 -9.62 -0.94 0
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140668 52739043 1 ClSN3O3C22H26 ABC3D3E22F26 -101.58 3.29 -8.81 -0.49 0
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140669 52739044 1 ClSN3O3C22H26 ABC3D3E22F26 -106.83 3.41 -8.68 -0.95 0
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140670 52739677 1 ClFO2N3C24H25 ABC2D3E24F25 -71.25 2.4 -9.11 -1.05 0
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140671 52739935 1 SN2O5C24H30 AB2C5D24E30 -164.12 4.38 -8.88 -0.64 0
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140672 52740383 1 SO2N7H21C22 AB2C7D21E22 57.25 3.02 -9.08 -0.63 0
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140673 52740447 1 SF2N2O4C20H22 AB2C2D4E20F22 -198.23 4.32 -9.4 -0.78 0
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140674 52740454 1 SF2N2O4C23H28 AB2C2D4E23F28 -235.7 4.72 -9.33 -0.63 0
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140675 52740455 1 SF2N2O5C20H22 AB2C2D5E20F22 -232.8 8.96 -9.52 -0.96 0
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140676 52740456 1 SF2N2O5C20H22 AB2C2D5E20F22 -230.92 5.95 -9.32 -0.88 0
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140677 52740457 1 F2N2O3C16H16 A2B2C3D16E16 -163.6 3.97 -9.08 -0.78 0
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140678 52740458 1 F2N2O3C16H16 A2B2C3D16E16 -168.88 6.66 -8.86 -0.98 0
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140679 52740459 1 ClSF2N2O4C20H23 ABC2D2E4F20G23 -225.74 7.58 -9.26 -1.17 0
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140680 52740635 1 FNO6C22H28 ABC6D22E28 -249.68 6.02 -8.78 -0.46 0
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140681 52740636 1 FN2O3H21C22 AB2C3D21E22 -92.66 2.68 -8.36 -0.6 0
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140682 52740757 1 ClFON3H19C21 ABCD3E19F21 -30.37 4.14 -9.41 -0.8 0
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140683 52740964 1 ClFN2O3H20C25 ABC2D3E20F25 -92.45 2.59 -8.88 -1.07 0
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140684 52741061 1 FSN3O3C24H32 ABC3D3E24F32 -120.98 20.53 -6.93 -0.9 0
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140685 52741062 1 FSN3O3C24H32 ABC3D3E24F32 -151.47 3.36 -8.77 -0.84 0
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140686 52741224 1 OS2N3C19H27 AB2C3D19E27 -22.01 4.94 -8.52 -1.06 1
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140687 52741225 1 OS2N3C19H28 AB2C3D19E28 -29.04 11.97 0.0 0.0 1
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140688 52741265 1 SN3O4C22H38 AB3C4D22E38 -155.57 7.72 0.0 0.0 1
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140689 52741297 1 SO2N3C24H34 AB2C3D24E34 -55.16 10.14 0.0 0.0 1
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140690 52741317 1 O2N4C25H33 A2B4C25D33 -18.81 6.31 0.0 0.0 1
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140691 52741321 1 SO2N4C24H37 AB2C4D24E37 -73.26 2.27 0.0 0.0 1
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140692 52741357 1 SO3N4C23H37 AB3C4D23E37 -119.93 7.8 0.0 0.0 0
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140693 52741358 1 SO3N4C23H36 AB3C4D23E36 -120.0 4.92 -8.42 -1.19 1
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140694 52741359 1 SO3N4C23H37 AB3C4D23E37 -91.17 3.44 0.0 0.0 0
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140695 52741589 1 SN2O3C24H26 AB2C3D24E26 -55.22 6.56 -9.01 -1.03 0
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140696 52741611 1 ClSN2O3C23H23 ABC2D3E23F23 -60.24 6.0 -9.03 -1.17 0
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140697 52741612 1 ClN2O4C24H27 AB2C4D24E27 -142.52 1.41 -8.54 -0.31 0
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140698 52741613 1 ClN2O4C24H27 AB2C4D24E27 -141.57 3.45 -8.3 -0.47 0
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140699 52741728 1 O4N5C24H33 A4B5C24D33 -132.89 1.93 -9.11 -0.57 0
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140700 52741909 1 N2O2C23H24 A2B2C23D24 -6.87 5.75 -8.94 -0.6 0
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140701 52742022 1 ClN2O5C25H27 AB2C5D25E27 -172.33 7.85 -9.01 -0.87 0
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140702 52742389 1 SO2N3C21H33 AB2C3D21E33 -103.29 5.87 -8.64 -0.28 0
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140703 52742422 1 ClSN2O4C24H29 ABC2D4E24F29 -145.94 8.43 -9.71 -0.76 0
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140704 52743209 1 FN2O2C23H23 AB2C2D23E23 -94.96 4.75 -8.97 -0.66 0
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140705 52743237 1 N2O4C25H32 A2B4C25D32 -175.53 1.46 -9.04 -0.61 0
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140706 52743382 1 NOCl2S2C13H15 ABC2D2E13F15 -45.41 2.62 -8.86 -0.72 0
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140707 52743383 1 SCl2N2O3C20H20 AB2C2D3E20F20 -98.3 5.77 -9.19 -0.77 0
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140708 52743539 1 N2O5C24H24 A2B5C24D24 -131.59 5.6 -8.44 -0.67 0
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140709 52743675 2 NOSC12H12 ABCD12E12 -9.43 4.43 -8.54 -0.72 0
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140710 52743950 1 N2O3C20H26 A2B3C20D26 -94.84 3.4 -8.86 0.0 0
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140711 52744475 1 FN2O2C24H31 AB2C2D24E31 -115.21 4.47 -8.25 0.04 0
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140712 52744925 1 SN4O5C21H28 AB4C5D21E28 -107.37 6.81 -9.38 -1.08 0