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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
308775 126522471 1 FON6H21C28 ABC6D21E28 100.77 6.44 -8.64 -1.99 0
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308776 126522482 1 OSN6H26C29 ABC6D26E29 134.71 7.43 -8.57 -1.94 0
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308777 126522589 2 N3H11C12 A3B11C12 168.56 7.98 -8.36 -1.8 0
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308778 126522666 1 O2N7H23C27 A2B7C23D27 139.13 4.43 -8.72 -2.1 0
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308779 126522667 1 FO2N6H31C34 AB2C6D31E34 42.32 7.68 -8.49 -1.83 0
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308780 126522668 1 FSO2N7C34H34 ABC2D7E34F34 53.88 1.17 -8.58 -1.94 0
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308781 126522670 2 N4H8C11 A4B8C11 235.26 3.62 -8.58 -2.06 0
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308782 126522671 1 F2N7C29H29 A2B7C29D29 55.16 8.27 -8.34 -1.77 0
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308783 126522672 1 FON6H25C29 ABC6D25E29 118.35 7.52 -8.48 -1.81 0
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308784 126522673 1 OSN5H17C24 ABC5D17E24 153.94 8.3 -8.57 -1.9 0
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308785 126522674 1 SO2N6H26C30 AB2C6D26E30 99.68 7.41 -8.54 -1.92 0
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308786 126522675 1 SN5H17C24 AB5C17D24 196.84 8.41 -8.56 -1.86 0
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308787 126522678 1 SN5H19C23 AB5C19D23 183.34 6.18 -8.47 -1.83 0
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308788 126522679 1 N8H18C23 A8B18C23 207.62 2.44 -8.7 -2.13 0
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308789 126522682 1 FN6H23C28 AB6C23D28 154.83 6.89 -8.52 -1.86 0
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308790 126522684 1 ON7H23C28 AB7C23D28 154.65 5.69 -8.63 -1.99 0
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308791 126522686 2 N3C12H14 A3B12C14 125.82 6.97 -8.16 -1.58 0
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308792 126522710 1 FSO2N8H27C29 ABC2D8E27F29 68.12 8.15 -8.52 -2.15 0
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308793 126522711 1 FSO2N8H27C29 ABC2D8E27F29 69.54 6.48 -8.42 -2.21 0
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308794 126522713 1 ClN2O2C20H25 AB2C2D20E25 -91.82 6.07 -8.48 -0.18 0
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308795 126522714 1 FSN7H20C25 ABC7D20E25 170.31 6.79 -8.84 -2.26 0
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308796 126522716 1 FN2O2H17C18 AB2C2D17E18 -77.68 1.68 -9.22 -0.81 0
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308797 126522718 1 BrSO4N9C23H32 ABC4D9E23F32 -135.12 3.89 -9.0 -1.1 0
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308798 126522723 1 FON6H21C25 ABC6D21E25 101.82 7.33 -8.65 -2.06 0
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308799 126522726 1 N7H23C27 A7B23C27 207.28 3.15 -8.6 -1.96 0
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308800 126522731 1 SN2O7C12H26 AB2C7D12E26 -362.6 7.3 -10.03 0.3 0
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308801 126522732 2 SO3N4C11H13 AB3C4D11E13 -177.4 6.2 -8.98 -0.89 0
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308802 126522739 1 FN6H17C25 AB6C17D25 153.78 4.72 -8.57 -1.93 0
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308803 126522740 1 ON2C14H18 AB2C14D18 -13.01 4.68 -8.55 -0.98 0
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308804 126522742 2 N3H10C12 A3B10C12 186.94 5.96 -8.54 -1.89 0
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308805 126522743 1 FON6H23C30 ABC6D23E30 114.0 5.72 -8.61 -1.97 0
Show
308806 126522745 1 N9C26H27 A9B26C27 196.66 5.85 -8.26 -1.65 0
Show
308807 126522746 1 N2O3C19H24 A2B3C19D24 -101.15 2.51 -8.24 -0.13 0
Show
308808 126522748 1 OSN6H24C29 ABC6D24E29 154.79 5.42 -8.4 -1.73 1
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308809 126522750 1 PN4O9C14H28 AB4C9D14E28 -436.14 8.65 0.0 0.0 0
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308810 126522783 1 SN5H15C23 AB5C15D23 208.11 4.24 -8.47 -1.83 0
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308811 126522786 1 N3O5C24H33 A3B5C24D33 -205.19 6.61 -8.09 -0.07 0
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308812 126522794 2 N3H11C12 A3B11C12 167.15 7.37 -8.29 -1.7 0
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308813 126522795 1 NaN7O33C60H100 AB7C33D60E100 -1416.01 71.65 -6.93 -2.31 0
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308814 126522796 1 NaN7O33C60H106 AB7C33D60E106 -1473.72 26.29 -8.5 -1.6 1
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308815 126522797 1 N2S2O8C40H49 A2B2C8D40E49 -288.59 4.1 0.0 0.0 0
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308816 126522798 1 OC22H34 AB22C34 -72.05 1.64 -8.37 0.48 0
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308817 126522799 1 NO14C22H33 AB14C22D33 -605.66 6.53 -10.07 -0.11 0
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308818 126522801 1 OSN6H24C32 ABC6D24E32 174.7 10.62 -8.48 -1.81 0
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308819 126522802 2 SO3N4C10H11 AB3C4D10E11 -170.59 8.83 -9.48 -2.48 0
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308820 126522803 1 FON7H28C32 ABC7D28E32 95.59 6.66 -8.64 -1.98 0
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308821 126522804 1 FON5H18C26 ABC5D18E26 113.53 5.37 -8.53 -1.86 0
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308822 126522805 1 NO2C18H25 AB2C18D25 -67.51 2.81 -8.77 0.34 0
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308823 126522807 1 ON7H29C32 AB7C29D32 143.79 7.46 -8.54 -1.89 0
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308824 126522810 1 N3O4C21H27 A3B4C21D27 -158.28 10.26 -8.25 -0.26 0
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308825 126522817 1 OSN6H24C28 ABC6D24E28 162.86 4.21 -8.5 -1.84 0
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308826 126522833 1 N7H23C27 A7B23C27 211.78 4.04 -8.61 -1.98 0
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308827 126522834 1 ON7H25C29 AB7C25D29 147.84 6.22 -8.63 -1.98 0
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308828 126522835 1 ON7C30H33 AB7C30D33 93.16 9.43 -8.28 -1.73 0
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308829 126522846 1 ON6H14C22 AB6C14D22 185.9 5.73 -8.55 -1.89 0
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308830 126522851 1 N7H25C32 A7B25C32 239.12 4.42 -8.64 -2.0 0
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308831 126522852 1 FO2N7H34C36 AB2C7D34E36 66.3 7.5 -8.45 -1.79 0
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308832 126522853 1 ON7C29H31 AB7C29D31 124.08 7.38 -8.21 -1.66 0
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308833 126522856 1 SN6H28C30 AB6C28D30 183.1 7.25 -8.48 -1.83 0
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308834 126522857 1 FON6H27C30 ABC6D27E30 102.83 6.43 -8.53 -1.88 0
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308835 126522858 1 SN5H17C24 AB5C17D24 196.65 4.84 -8.44 -1.75 0
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308836 126522861 1 FON7H26C29 ABC7D26E29 108.3 10.96 -8.53 -1.86 0
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308837 126522866 1 ON7H25C30 AB7C25D30 155.06 5.34 -8.63 -1.99 0
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308838 126522870 1 OSN6H24C28 ABC6D24E28 158.07 2.8 -8.61 -1.98 0
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308839 126522871 1 OSN5H17C24 ABC5D17E24 172.06 5.75 -8.5 -1.84 0
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308840 126522875 1 O2N3C13H13 A2B3C13D13 -22.21 5.99 -8.68 -0.2 0
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308841 126522880 1 FON7C34H34 ABC7D34E34 92.36 6.34 -8.41 -1.78 0
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308842 126522883 1 ON8C28H30 AB8C28D30 122.75 9.42 -8.33 -1.8 0
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308843 126522886 1 OSN6H24C28 ABC6D24E28 144.01 7.51 -8.56 -1.94 0
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308844 126522888 1 OSN7H23C27 ABC7D23E27 164.35 7.03 -8.54 -1.91 0
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308845 126522890 8 NC4H4 AB4C4 205.14 6.22 -8.26 -1.73 0
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308846 126522894 6 NH2C3 AB2C3 195.14 5.73 -8.54 -1.86 0
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308847 126522900 1 N7H23C27 A7B23C27 197.3 4.05 -8.42 -1.89 0
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308848 126522918 1 FON6H25C29 ABC6D25E29 108.31 9.23 -8.53 -1.88 0
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308849 126522919 1 ON6H16C24 AB6C16D24 171.02 5.21 -8.7 -2.05 0
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308850 126522922 1 ON7H23C28 AB7C23D28 154.53 5.76 -8.62 -1.98 0
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308851 126522926 1 ON7H29C32 AB7C29D32 145.01 10.82 -8.26 -1.68 0
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308852 126522930 2 N3H8C12 A3B8C12 214.09 7.18 -8.65 -1.97 0
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308853 126522931 1 FON5H22C32 ABC5D22E32 145.54 8.79 -8.58 -1.92 0
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308854 126522935 1 N2O6C27H38 A2B6C27D38 -276.17 3.16 -8.9 -0.53 0
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308855 126522938 1 N2O6C27H38 A2B6C27D38 -267.48 2.77 -8.8 -0.68 0
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308856 126522939 1 FSN6H15C22 ABC6D15E22 169.02 3.59 -8.41 -1.87 0
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308857 126522940 1 FON6H27C32 ABC6D27E32 90.07 5.77 -8.6 -1.96 0
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308858 126522941 1 N5H13C19 A5B13C19 180.97 7.34 -8.57 -1.89 0
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308859 126531651 1 ClON5C23H28 ABC5D23E28 5.93 4.52 -8.9 -1.26 0
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308860 126531652 1 ClFN4H16C23 ABC4D16E23 82.0 4.69 -8.78 -1.36 0
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308861 126531659 1 BrClFO2N3H12C17 ABCD2E3F12G17 -52.66 4.61 -9.19 -1.54 0
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308862 126531663 1 ClFON5H21C23 ABCD5E21F23 7.36 4.87 -8.8 -1.43 0
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308863 126531664 1 FON8H21C27 ABC8D21E27 126.93 4.7 -8.72 -2.4 0
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308864 126531665 1 BrClFNOH6C10 ABCDEF6G10 -61.69 6.92 -9.13 -1.06 0
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308865 126531668 1 ClON3H18C19 ABC3D18E19 26.54 3.26 -9.42 -1.18 0
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308866 126531669 1 BrFCl2H2N2C8 ABC2D2E2F8 3.33 1.18 -10.0 -1.87 0
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308867 126531683 2 N6C12H13 A6B12C13 238.11 9.61 -8.13 -2.07 0
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308868 126531684 1 ClFON5H23C24 ABCD5E23F24 -3.94 5.16 -8.78 -1.29 0
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308869 126531697 1 N8H22C23 A8B22C23 184.78 6.17 -8.16 -2.06 0
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308870 126531703 1 ON10H28C29 AB10C28D29 174.41 9.64 -8.63 -2.22 0
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308871 126531704 1 O3N8H22C28 A3B8C22D28 111.18 5.61 -8.52 -2.37 0
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308872 126531711 1 ON9H25C27 AB9C25D27 164.8 3.68 -8.76 -2.39 0
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308873 126531712 1 BrClFON4H13C17 ABCDE4F13G17 -14.33 2.5 -8.97 -1.17 0
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308874 126531719 1 ClFO3N5H27C28 ABC3D5E27F28 -80.64 1.98 -8.9 -1.19 0