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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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441757 135243472 1 FN3O5C21H24 AB3C5D21E24 -197.58 6.56 -9.0 -0.34 0
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441758 135243480 2 O8C16H23 A8B16C23 -682.6 3.11 -8.68 -0.1 0
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441759 135243544 1 ON2C10H18 AB2C10D18 -6.92 4.73 -8.97 1.16 0
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441760 135243585 2 NC7H10 AB7C10 23.63 1.31 -8.2 0.36 0
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441761 135243586 1 N6H8F14C45 A6B8C14D45 -247.68 2.26 -9.86 -2.82 0
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441762 135243634 4 OC6H9 AB6C9 -205.0 3.19 -9.69 -0.67 0
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441763 135243669 1 SO3N5C17H21 AB3C5D17E21 -51.06 2.84 -9.07 -1.22 0
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441764 135243718 1 ClFSN4O6C27H28 ABCD4E6F27G28 -213.14 2.67 -9.28 -1.37 0
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441765 135243867 2 NC3H5 AB3C5 22.47 1.08 -7.55 0.82 0
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441766 135243928 1 NH23C37 AB23C37 315.56 4.0 -7.86 -0.86 0
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441767 135243986 1 NC13H17 AB13C17 35.19 2.02 -8.8 0.16 0
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441768 135243999 1 NH27C43 AB27C43 186.47 3.17 -8.02 -0.67 0
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441769 135244042 2 NC13H15 AB13C15 55.17 2.07 -8.13 0.1 0
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441770 135244166 1 O2N3C32H41 A2B3C32D41 -30.56 7.59 -8.56 0.08 0
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441771 135244249 1 N3O3C30H41 A3B3C30D41 -109.74 5.12 -8.79 -0.17 0
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441772 135244254 1 ON5C28H39 AB5C28D39 3.66 3.35 -8.29 -0.1 0
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441773 135244255 1 NC20H33 AB20C33 -17.86 1.25 -8.35 0.65 0
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441774 135244256 1 N3O4C36H49 A3B4C36D49 -176.06 4.94 -8.71 0.01 0
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441775 135244271 1 ClFNC7H7 ABCD7E7 -37.21 3.35 -9.68 -0.56 0
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441776 135244343 1 ClC11H19 AB11C19 -22.27 3.03 -9.91 0.26 0
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441777 135244355 1 SF6O9C24H28 AB6C9D24E28 -640.42 20.06 -7.98 -2.72 0
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441778 135244373 2 NC21H21 AB21C21 140.93 2.45 -7.98 -1.07 0
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441779 135244453 1 FO4N7C26H26 AB4C7D26E26 5.06 3.84 -9.47 -1.34 0
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441780 135244460 1 NO2C23H35 AB2C23D35 -89.77 1.7 -8.35 -0.95 0
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441781 135244468 1 PN2C15H23 AB2C15D23 18.5 3.26 -8.83 0.17 0
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441782 135244502 1 SCl2F2N2O4H16C18 AB2C2D2E4F16G18 -207.1 4.65 -8.89 -1.15 0
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441783 135244512 1 O5C33H44 A5B33C44 -162.76 6.2 -8.98 -1.75 0
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441784 135244531 1 Cl2N2O2C19H22 A2B2C2D19E22 -35.28 3.61 -9.02 -0.88 0
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441785 135244569 1 ClFO2N5C20H23 ABC2D5E20F23 -82.33 3.49 -9.18 -1.13 0
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441786 135244574 1 FON7C21H26 ABC7D21E26 -27.18 6.59 -8.68 -0.65 0
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441787 135244650 1 ClFO2N5H11C14 ABC2D5E11F14 -46.68 5.2 -9.05 -1.05 0
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441788 135244655 1 ClO3C6H9 AB3C6D9 -72.54 3.1 -10.71 0.31 0
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441789 135244675 1 ON8C22H24 AB8C22D24 64.09 2.54 -8.98 -0.76 0
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441790 135244711 1 NO3C17H27 AB3C17D27 -134.06 3.59 -8.1 0.15 0
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441791 135244737 2 NC28H28 AB28C28 172.45 1.89 -7.63 -0.34 0
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441792 135244762 1 N2C63H70 A2B63C70 135.05 1.99 -7.68 -0.36 0
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441793 135244778 1 N2C61H64 A2B61C64 182.0 1.78 -7.61 -0.31 0
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441794 135244840 2 NH20C23 AB20C23 194.65 0.95 -7.75 -0.54 0
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441795 135244857 1 Cl2N3O5C23H27 A2B3C5D23E27 -213.65 3.45 -8.76 -0.33 1
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441796 135244860 1 PSCl2N2O4C24H24 ABC2D2E4F24G24 -120.19 7.04 0.0 0.0 0
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441797 135244867 2 ClNC9H10 ABC9D10 14.25 1.5 -8.29 -0.36 0
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441798 135244868 1 SCl2N3O4C22H25 AB2C3D4E22F25 -117.25 6.25 -8.93 -0.61 0
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441799 135244903 1 INC33H50 ABC33D50 54.59 2.51 -8.82 -0.55 0
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441800 135244922 1 Cl2N4O6C27H28 A2B4C6D27E28 -207.37 5.47 -8.44 -1.44 0
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441801 135244936 1 S2F4N8O8H42C43 A2B4C8D8E42F43 -304.41 12.38 -8.89 -0.93 0
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441802 135245001 1 N2O3C18H22 A2B3C18D22 -23.26 7.9 -9.12 -1.24 0
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441803 135245003 1 S2Cl3O3N4C39H45 A2B3C3D4E39F45 -44.26 5.11 -8.32 -0.49 0
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441804 135245031 1 SF2N4O15C39H58 AB2C4D15E39F58 -681.68 4.07 -8.99 -1.1 0
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441805 135245044 1 N4O4H20C25 A4B4C20D25 -11.9 6.14 -9.29 -0.96 0
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441806 135245052 1 ClO4C12H13 AB4C12D13 -159.18 5.86 -8.7 -0.52 0
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441807 135245066 1 OPC19H39 ABC19D39 -129.91 2.09 -8.89 2.27 0
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441808 135245085 1 O3N5H21C25 A3B5C21D25 -4.72 3.08 -9.34 -0.83 0
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441809 135245087 1 SO2N3H23C25 AB2C3D23E25 45.17 7.48 -9.25 -0.92 0
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441810 135245090 2 NC6H8 AB6C8 38.37 2.82 -8.39 -0.78 0
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441811 135245110 2 O3C10H16 A3B10C16 -326.05 3.47 -10.52 0.77 0
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441812 135245122 1 O3C20H34 A3B20C34 -172.2 5.82 -9.99 1.14 0
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441813 135245165 1 ClN3H18C19 AB3C18D19 67.75 4.31 -8.7 -0.88 0
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441814 135245183 1 N3H39C50 A3B39C50 228.2 2.41 -8.14 -0.66 0
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441815 135245199 3 NH11C14 AB11C14 187.17 1.86 -8.23 -1.03 0
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441816 135245229 2 NH11C15 AB11C15 135.11 4.21 -8.73 -0.62 0
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441817 135245236 1 N4H32C47 A4B32C47 238.92 3.14 -9.04 -1.11 0
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441819 135245296 1 N4H34C51 A4B34C51 254.34 4.84 -8.86 -1.13 0
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441820 135245336 1 NOH23C33 ABC23D33 100.58 2.62 -8.64 -0.96 0
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441821 135245381 1 N2H22C27 A2B22C27 154.03 2.82 -8.65 -0.37 0
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441822 135245384 1 N5H27C36 A5B27C36 239.28 2.58 -8.87 -1.07 0
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441823 135245390 1 N5H35C48 A5B35C48 266.17 2.28 -9.15 -1.16 0
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441824 135245395 1 BrN3H22C29 AB3C22D29 141.25 2.03 -8.51 -1.15 0
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441825 135245418 1 ON4H24C38 AB4C24D38 189.32 1.34 -9.01 -1.12 0
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441826 135245475 1 NH35C36 AB35C36 158.68 1.76 -8.43 -0.38 0
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441827 135245478 2 NH17C25 AB17C25 220.45 2.93 -8.47 -0.84 0
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441828 135245513 1 N4H28C35 A4B28C35 198.12 3.2 -8.06 -0.39 0
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441829 135245514 1 ON4H26C42 AB4C26D42 207.89 0.93 -8.75 -1.11 0
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441830 135245520 4 NH10C15 AB10C15 304.89 2.67 -8.19 -0.98 0
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441831 135245530 1 ClN2C13H17 AB2C13D17 11.49 6.22 -8.54 0.3 0
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441832 135245536 1 BrOSF4N5C24H30 ABCD4E5F24G30 -124.79 2.08 -8.63 -0.85 0
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441833 135245539 1 N3H37C55 A3B37C55 261.77 1.1 -8.63 -0.94 0
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441834 135245628 1 OCl2N2C15H16 AB2C2D15E16 13.16 1.84 -8.75 -0.97 0
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441835 135245650 1 N3H25C36 A3B25C36 174.28 2.5 -8.7 -0.75 0
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441836 135245652 1 N5H29C40 A5B29C40 254.85 3.84 -8.89 -1.21 0
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441837 135245663 1 N2H20C27 A2B20C27 125.6 2.25 -8.71 -0.73 0
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441838 135245664 1 OF4N5H19C24 AB4C5D19E24 -24.45 6.68 -9.1 -1.18 0
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441839 135245695 1 N3H51C62 A3B51C62 319.68 1.79 -8.21 -0.78 0
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441840 135245705 1 OSF4N6H30C33 ABC4D6E30F33 7.32 7.54 -8.89 -1.03 0
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441841 135245747 1 O2F3N3C15H20 A2B3C3D15E20 -200.05 2.82 -9.48 -0.06 0
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441842 135245788 1 O2F4N6H26C31 A2B4C6D26E31 -27.19 2.33 -9.23 -1.27 0
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441843 135245790 1 O2F5N6H23C27 A2B5C6D23E27 -45.55 7.49 -10.02 -1.53 0
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441844 135245803 1 NO2C7H13 AB2C7D13 -55.75 1.73 -8.24 1.32 0
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441845 135245810 1 OF5N5H18C24 AB5C5D18E24 -62.56 3.09 -9.28 -1.0 0
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441846 135245851 1 ON2F4H20C28 AB2C4D20E28 -86.32 6.19 -8.91 -1.14 0
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441847 135245880 1 FO2N7C26H26 AB2C7D26E26 69.08 3.97 -8.73 -1.14 0
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441848 135245884 1 ON2C15H20 AB2C15D20 8.15 3.3 -9.03 -1.36 0
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441849 135245885 1 OF2N6H16C21 AB2C6D16E21 68.58 6.03 -9.09 -0.94 0
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441850 135245898 1 NOCl2C16H21 ABC2D16E21 -36.78 2.96 -8.83 -0.42 0
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441851 135245926 1 ClN2O2C23H25 AB2C2D23E25 -28.15 5.75 -8.53 -0.52 0
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441852 135245927 1 FN2H11C14 AB2C11D14 106.23 3.88 -9.2 -0.94 0
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441853 135245936 1 O2F5N5H20C25 A2B5C5D20E25 -107.97 1.43 -9.08 -1.1 0
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441854 135245987 1 O2F5N5H26C30 A2B5C5D26E30 -119.36 8.29 -8.88 -1.17 0
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441855 135246020 1 FON3C13H14 ABC3D13E14 2.68 1.53 -8.8 -0.77 0
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441856 135246030 1 FO3N4C16H23 AB3C4D16E23 -116.3 3.87 -8.54 -0.34 0
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441857 135246055 1 FON7H20C24 ABC7D20E24 128.07 4.2 -9.16 -1.08 0