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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404711 135069817 1 O4C19H20 A4B19C20 -94.0 2.98 -8.75 -0.21 0
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404712 135069819 1 SN3O10H27C30 AB3C10D27E30 -182.94 2.26 -8.57 -2.04 0
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404713 135069820 1 O4C19H22 A4B19C22 -147.69 6.08 -9.03 -0.21 0
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404714 135069822 1 OF2N2H34C42 AB2C2D34E42 2.17 6.22 -8.27 -0.25 0
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404715 135069823 1 OC13H14 AB13C14 26.68 1.89 -9.28 -0.19 0
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404716 135069825 1 NOSiH25C28 ABCD25E28 26.08 3.75 -9.32 -0.64 0
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404717 135069829 1 NO2C33H39 AB2C33D39 -41.88 3.41 -9.34 0.13 0
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404718 135069936 1 OC15H24 AB15C24 -70.89 4.89 -9.72 0.03 0
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404719 135069959 1 FN2O4H23C32 AB2C4D23E32 -57.47 4.39 -8.52 -1.1 0
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404720 135069960 1 ClN2O4H23C32 AB2C4D23E32 -19.44 3.98 -8.62 -1.21 0
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404721 135069963 1 BFN3O5C31H33 ABC3D5E31F33 -262.05 5.02 -9.64 -1.3 0
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404722 135069964 1 FN3O4H24C26 AB3C4D24E26 -128.47 6.2 -8.92 -1.66 0
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404723 135069965 1 FNSO6C23H28 ABCD6E23F28 -285.93 3.89 -9.46 -0.64 0
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404724 135069966 1 OC17H28 AB17C28 -72.42 3.5 -9.49 -0.12 0
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404725 135069967 1 O4C33H42 A4B33C42 -135.59 5.14 -8.95 -0.96 0
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404726 135069971 1 O4C17H20 A4B17C20 -129.99 2.39 -10.15 -0.86 0
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404727 135069972 1 BrSN3O6C26H34 ABC3D6E26F34 -169.64 9.3 -9.64 -1.77 0
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404728 135070088 2 NO2C6H7 AB2C6D7 -128.82 1.17 -8.95 -0.69 0
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404729 135070105 2 NO8C13H19 AB8C13D19 -748.01 7.57 -9.66 0.2 0
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404730 135070108 1 O3C4N4H8 A3B4C4D8 -62.77 2.95 -10.37 -0.58 0
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404731 135070109 1 N2O13C20H28 A2B13C20D28 -476.79 9.18 -9.94 -1.19 0
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404732 135070110 1 O17C27H30 A17B27C30 -671.9 1.19 -9.33 -1.44 0
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404733 135070112 1 OC40H60 AB40C60 -21.91 1.6 -8.13 0.39 0
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404734 135070113 2 OC20H31 AB20C31 -89.36 3.5 -8.08 0.13 0
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404735 135070114 1 OC40H58 AB40C58 -1.57 2.75 -7.98 0.24 0
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404736 135070115 2 OC20H30 AB20C30 -66.01 1.54 -8.36 0.23 0
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404737 135070250 1 FOC29H33 ABC29D33 -37.41 2.56 -8.86 0.12 0
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404738 135070251 2 O2C5H5 A2B5C5 -143.63 4.2 -10.52 -0.44 0
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404739 135070252 1 O5C14H22 A5B14C22 -238.75 2.52 -10.2 0.12 0
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404740 135070253 2 F2H4C5 A2B4C5 -181.61 3.04 -9.74 -0.28 0
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404741 135070255 1 ClNO2C18H20 ABC2D18E20 -57.28 1.21 -9.25 -0.32 0
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404742 135070256 1 NOC9H13 ABC9D13 -38.0 4.15 -8.76 0.96 0
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404743 135070365 1 N3O3C11H11 A3B3C11D11 4.14 1.24 -9.27 -0.82 0
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404744 135070384 1 N5O16C24H41 A5B16C24D41 -662.43 3.9 -10.22 -0.32 -2
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404745 135070388 1 PC9O10H17 AB9C10D17 -410.22 2.56 -9.78 -1.8 0
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404746 135070389 1 PC9O10H19 AB9C10D19 -522.44 10.42 -10.63 -0.6 0
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404747 135070390 2 NO6C9H15 AB6C9D15 -570.06 3.75 -10.28 -0.25 0
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404748 135070391 1 N2O9C15H26 A2B9C15D26 -434.0 1.33 -10.14 0.11 0
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404749 135070392 1 O8C15H20 A8B15C20 -339.76 3.53 -9.61 -0.13 0
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404750 135070418 1 ClSN2O2H9C11 ABC2D2E9F11 -23.01 6.2 -8.85 -1.16 0
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404751 135070508 1 NOC22H25 ABC22D25 -4.68 3.26 -9.17 -0.1 0
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404752 135070513 1 BrO2F3H10C11 AB2C3D10E11 -231.8 3.38 -9.86 -0.67 0
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404753 135070516 1 SiN2O6C34H44 AB2C6D34E44 -224.39 4.17 -8.95 -0.14 0
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404754 135070519 1 SO2N3H17C18 AB2C3D17E18 55.83 7.78 -9.58 -0.75 0
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404755 135070520 1 O3C12H14 A3B12C14 -104.1 1.95 -9.79 -0.14 0
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404756 135070524 1 ClO3C13H15 AB3C13D15 -120.12 2.37 -9.54 -0.4 0
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404757 135070525 1 OC21H26 AB21C26 -22.07 2.67 -9.36 -0.56 0
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404758 135070526 1 NOC15H21 ABC15D21 -35.97 2.58 -8.78 0.32 0
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404759 135070527 1 FN2O3C10H11 AB2C3D10E11 -164.11 4.95 -10.08 -0.54 0
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404760 135070532 1 OSN2F3C9H15 ABC2D3E9F15 -183.95 4.31 -8.96 -0.21 0
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404761 135070601 1 FS2O5C19H21 AB2C5D19E21 -205.55 4.09 -9.81 -0.75 0
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404762 135070602 1 FS2O5C20H21 AB2C5D20E21 -200.09 2.1 -9.9 -0.68 0
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404763 135070639 1 N2O2C21H24 A2B2C21D24 -29.86 4.73 -9.41 -0.19 0
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404764 135070643 2 O3C5H6 A3B5C6 -235.59 3.91 -11.04 -0.14 0
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404765 135070657 1 FNO8C11H18 ABC8D11E18 -422.93 5.58 -10.33 -0.14 0
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404766 135070658 1 NO7C8H15 AB7C8D15 -314.88 3.17 -10.44 -0.07 0
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404767 135070659 1 N2O11C23H34 A2B11C23D34 -508.43 7.28 -9.66 -0.13 -2
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404768 135070661 1 SO4H8C11 AB4C8D11 -102.18 1.5 -8.79 -0.29 0
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404769 135070662 2 NC11H17 AB11C17 -16.46 3.12 -8.11 0.22 -1
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404770 135070663 1 FN2O2H4C6 AB2C2D4E6 -2.85 11.75 0.0 0.0 -2
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404771 135070664 1 NO4C11H11 AB4C11D11 -142.8 1.58 -9.09 0.33 -1
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404772 135070665 1 O2N3C6H6 A2B3C6D6 29.07 18.56 0.0 0.0 0
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404773 135070782 1 BrO3C13H15 AB3C13D15 -107.94 3.42 -9.74 -0.32 0
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404774 135070790 2 NOC6H6 ABC6D6 -39.31 8.92 -8.92 -0.63 -2
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404775 135070792 1 PC6O9H11 AB6C9D11 -342.64 3.01 -10.42 -2.0 0
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404776 135070793 1 NO3H13C16 AB3C13D16 -53.94 3.59 -9.07 -0.89 0
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404777 135070794 1 O4C11H20 A4B11C20 -218.08 2.02 -10.56 0.69 0
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404778 135070795 1 SiO2C15H30 AB2C15D30 -145.66 2.61 -9.14 1.33 0
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404780 135070842 2 OC7H14 AB7C14 -152.91 3.35 -10.16 2.03 -1
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404781 135070897 1 NO4C11H14 AB4C11D14 -135.55 1.29 0.0 0.0 0
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404782 135070901 1 N2O5C13H18 A2B5C13D18 -208.22 2.9 -9.55 0.08 0
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404783 135070907 1 NO3C17H19 AB3C17D19 -83.09 2.28 -8.53 -0.44 0
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404784 135070912 1 FNO5H26C27 ABC5D26E27 -184.06 1.74 -8.55 -0.26 0
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404785 135070918 2 O3C8H9 A3B8C9 -228.38 3.84 -8.43 -0.74 0
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404786 135070919 1 BrNO5H26C27 ABC5D26E27 -136.15 2.95 -8.88 -0.45 0
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404787 135070920 1 O7C20H20 A7B20C20 -247.28 4.47 -9.11 -0.54 0
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404788 135070921 4 O2C5H5 A2B5C5 -277.52 3.66 -8.81 -0.52 0
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404789 135070922 1 SN3O3C24H29 AB3C3D24E29 -43.33 2.89 -8.58 -0.44 0
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404790 135070923 1 N3O4C30H45 A3B4C30D45 -82.09 13.1 -7.25 -0.86 0
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404791 135070924 1 N3O6C37H51 A3B6C37D51 -184.62 3.56 -8.04 -0.33 0
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404792 135071001 1 FSN2O2H15C16 ABC2D2E15F16 -54.58 8.72 -10.04 -0.59 0
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404793 135071054 1 FC14H19 AB14C19 -40.56 1.6 -9.09 0.4 0
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404794 135071055 1 O2C17H18 A2B17C18 -57.08 2.85 -9.57 0.1 0
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404795 135071057 1 N2C13H18 A2B13C18 12.66 2.05 -8.1 0.55 0
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404796 135071058 1 ON2C13H16 AB2C13D16 -29.73 5.0 -8.87 -0.3 0
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404797 135071059 1 NC12H19 AB12C19 19.03 3.05 -9.24 0.65 0
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404798 135071060 1 ClO2C12H13 AB2C12D13 -90.85 5.4 -9.85 -0.46 0
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404799 135071062 1 N2O2H10C17 A2B2C10D17 42.83 1.22 -10.36 -1.47 0
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404800 135071066 1 NO5C16H27 AB5C16D27 -252.23 5.02 -10.47 -0.13 0
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404801 135071067 1 ON2C28H42 AB2C28D42 -31.58 5.86 -8.01 0.42 0
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404802 135071096 1 NPO4C12H22 ABC4D12E22 -249.18 5.06 -11.05 0.27 1
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404803 135071107 1 PN2O5C11H20 AB2C5D11E20 -221.67 1.24 0.0 0.0 0
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404804 135071149 2 NO2H12C13 AB2C12D13 -60.11 4.49 -9.43 -0.47 0
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404805 135071150 3 OC6H6 AB6C6 -83.18 3.16 -9.43 -0.13 0
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404806 135071152 1 O3C14H28 A3B14C28 -200.42 3.49 -10.12 2.08 0
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404807 135071201 2 OC7H12 AB7C12 -112.53 4.5 -9.75 -0.26 0
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404808 135071205 1 O3H16C17 A3B16C17 -44.21 5.14 -8.92 -0.74 0
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404809 135071210 1 N2C19H20 A2B19C20 84.6 5.44 -9.35 -0.6 0
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404810 135071211 1 NC17H19 AB17C19 60.08 1.17 -9.05 0.27 0
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404811 135071212 1 SnO2C17H34 AB2C17D34 -147.11 0.6 -9.74 0.41 0