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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393766 135021657 1 N2O3C17H32 A2B3C17D32 -129.51 4.56 -7.98 1.28 0
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393767 135021658 1 N3O3H13C17 A3B3C13D17 -12.61 5.62 -9.02 -1.63 0
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393768 135021666 1 SN2O2H16C24 AB2C2D16E24 157.92 6.67 -9.41 -0.98 0
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393769 135021667 1 SO2C9H10 AB2C9D10 43.5 10.42 -7.77 -3.46 0
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393770 135021668 1 SN2C14H20 AB2C14D20 24.59 2.0 -8.62 -0.13 0
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393771 135021669 1 KN4H7C8 AB4C7D8 69.68 11.06 -8.49 -0.35 0
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393772 135021670 1 NO3C7H9 AB3C7D9 -104.82 5.41 -10.31 0.47 0
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393773 135021671 1 NSiC22H29 ABC22D29 43.43 2.33 -8.95 -0.42 0
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393774 135021672 1 SiN2C25H32 AB2C25D32 49.14 3.35 -8.75 -0.52 0
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393776 135021674 1 O3C13H16 A3B13C16 -114.46 3.56 -8.94 -0.59 0
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393777 135021675 1 S2O5C18H24 A2B5C18D24 -194.64 5.57 -9.03 -0.78 0
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393778 135021676 1 O2N3C27H27 A2B3C27D27 -6.71 2.8 -8.98 -0.84 0
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393779 135021677 1 SO2N3H31C33 AB2C3D31E33 31.11 3.38 -8.96 -0.83 0
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393780 135021678 1 NOC14H17 ABC14D17 -27.65 3.3 -9.49 -0.3 0
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393781 135021679 1 NOC4H6 ABC4D6 19.91 4.05 0.0 0.0 -1
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393782 135021680 1 ON4C17H19 AB4C17D19 64.14 6.19 0.0 0.0 0
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393783 135021681 1 ON4C17H20 AB4C17D20 48.63 2.34 -8.81 0.1 -1
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393784 135021682 1 ON4C16H17 AB4C16D17 73.35 3.15 0.0 0.0 0
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393785 135021683 1 ON4C16H18 AB4C16D18 56.11 3.2 -8.59 0.15 0
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393786 135021684 2 NOH7C8 ABC7D8 10.22 5.12 -9.54 -1.16 0
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393787 135021685 2 NOC8H8 ABC8D8 -2.42 2.93 -9.63 -0.86 0
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393788 135021686 1 BrO2N3H14C16 AB2C3D14E16 -27.29 6.2 -9.32 -1.1 0
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393789 135021687 1 NO2C13H16 AB2C13D16 -28.47 4.77 0.0 0.0 -1
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393790 135021688 1 O2N3C16H16 A2B3C16D16 28.43 4.55 0.0 0.0 0
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393791 135021689 1 O2N3C16H17 A2B3C16D17 8.85 1.26 -9.35 0.03 0
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393792 135021691 1 NOC14H23 ABC14D23 -64.82 3.6 -8.02 1.55 0
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393793 135021705 1 O13C44H82 A13B44C82 -727.07 6.37 -10.24 0.15 0
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393794 135021706 3 OC5H8 AB5C8 -165.24 4.5 -9.59 0.85 0
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393795 135021707 1 O3C16H28 A3B16C28 -185.64 2.87 -9.56 1.65 0
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393796 135021708 1 O7C12H14 A7B12C14 -243.69 1.4 -10.26 -1.1 0
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393797 135021709 1 NSO8C18H25 ABC8D18E25 -333.86 2.77 -8.88 -0.5 0
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393798 135021710 2 N2O3C9H13 A2B3C9D13 -193.12 4.69 -8.87 -0.31 0
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393799 135021711 1 N4O5C13H22 A4B5C13D22 -179.47 4.01 -9.88 -0.43 0
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393800 135021715 1 O2N6C17H24 A2B6C17D24 68.73 4.49 -9.95 -0.99 0
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393801 135021716 1 N6C17H22 A6B17C22 107.81 5.4 -9.02 -0.97 0
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393802 135021717 1 O5C21H38 A5B21C38 -281.32 2.06 -10.23 -0.36 0
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393803 135021718 2 NO3H12C13 AB3C12D13 -175.11 5.22 -8.75 -0.61 0
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393804 135021719 2 NO4C16H16 AB4C16D16 -250.89 4.74 -8.66 -0.42 0
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393805 135021720 1 O2H14C17 A2B14C17 -18.62 3.15 -9.64 -0.85 0
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393808 135021723 1 O2C19H22 A2B19C22 -49.75 3.65 -8.85 0.19 0
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393809 135021724 1 O2C19H22 A2B19C22 -51.97 2.84 -8.74 0.13 0
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393810 135021725 2 OC9H11 AB9C11 -67.67 1.49 -8.65 -0.58 0
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393811 135021726 1 OCl2N3H7C9 AB2C3D7E9 29.13 2.54 -9.76 -0.84 0
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393812 135021727 1 NSO5C14H19 ABC5D14E19 -186.63 1.3 -9.48 -0.23 0
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393813 135021728 2 NO2C11H12 AB2C11D12 -142.19 2.14 -8.55 -0.58 0
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393814 135021763 2 ON3C12H14 AB3C12D14 68.84 5.99 -9.66 -0.43 0
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393815 135021764 1 NO2H13C18 AB2C13D18 4.8 5.18 -8.6 -1.47 0
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393816 135021766 2 NO3C11H13 AB3C11D13 -224.99 2.42 -9.67 -0.14 0
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393817 135021769 1 SO4C23H26 AB4C23D26 -102.13 5.01 -8.61 -0.55 0
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393818 135021780 1 SiO4C18H32 AB4C18D32 -240.73 3.6 -8.85 0.76 0
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393822 135021784 1 ON2C26H27 AB2C26D27 53.26 2.68 0.0 0.0 0
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393823 135021785 1 SN2C20H22 AB2C20D22 49.2 6.13 -8.2 -0.78 0
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393825 135021793 2 OC10H18 AB10C18 -138.35 0.71 -9.49 1.05 0
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393827 135021795 1 NO4C15H19 AB4C15D19 -145.93 2.55 -9.51 0.03 0
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393828 135021796 1 NO4C20H27 AB4C20D27 -161.57 3.35 -9.46 -0.06 0
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393829 135021797 2 OC8H9 AB8C9 -62.48 3.57 -9.35 -0.24 0
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393830 135021798 1 BrNO3C18H20 ABC3D18E20 -89.59 4.12 -7.98 -0.47 0
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393832 135021800 1 N3C14H15 A3B14C15 125.95 3.56 -9.24 -0.2 0
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393833 135021801 1 NO4C14H19 AB4C14D19 -156.28 2.52 -9.72 -0.67 0
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393834 135021802 1 O6C11H14 A6B11C14 -180.12 3.3 -10.5 -0.19 0
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393835 135021803 2 SO4C10H11 AB4C10D11 -260.36 1.7 -9.61 -0.64 0
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393836 135021804 2 ON2C7H13 AB2C7D13 -41.94 1.74 -8.65 1.08 -2
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393837 135021805 2 AuClON2C7H10 ABCD2E7F10 83.48 19.21 -7.96 -2.08 0
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393838 135021806 2 ON2C7H11 AB2C7D11 3.21 3.72 -8.3 0.81 0
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393840 135021808 1 N3O3H21C26 A3B3C21D26 -21.83 3.74 -9.34 -0.77 0
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393841 135021809 1 O2C19H32 A2B19C32 -138.92 5.86 -9.61 0.5 0
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393843 135021811 1 OC21H36 AB21C36 -66.47 2.28 -9.68 1.23 0
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393845 135021813 1 OC22H38 AB22C38 -75.45 2.37 -9.5 1.15 0
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393847 135021817 1 NO2C14H21 AB2C14D21 -55.93 4.61 -10.27 -0.39 0
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393848 135021819 2 NO2H24C28 AB2C24D28 -43.1 0.65 -9.15 -2.14 0
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393849 135021824 1 NOC16H23 ABC16D23 -37.56 3.27 -9.51 0.2 0
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393850 135021825 1 NO4C15H19 AB4C15D19 -151.33 5.26 -9.57 -0.23 0
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393851 135021826 1 PK2N3O31C46H76 AB2C3D31E46F76 -1520.67 16.34 -9.15 -0.76 0
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393852 135021827 1 PN3O31C46H78 AB3C31D46E78 -1444.12 12.85 -9.68 0.08 0
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393853 135021828 1 ON3C15H15 AB3C15D15 48.09 6.19 -9.26 -0.57 0
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393854 135021829 2 SH11C13 AB11C13 91.65 3.26 -8.36 -0.34 0
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393855 135021830 1 ClO3H11C14 AB3C11D14 -82.69 4.73 -9.82 -1.05 0
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393856 135021831 1 NSO2C8H9 ABC2D8E9 -26.74 5.38 -10.52 -0.82 0
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393858 135021834 2 OH9C11 AB9C11 42.12 3.69 -9.44 -1.45 0
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393859 135021835 2 OH11C12 AB11C12 21.72 5.07 -8.97 -1.35 0
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393860 135021836 2 O2H11C12 A2B11C12 -39.16 5.73 -8.84 -1.35 0
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393861 135021837 1 NH21C25 AB21C25 86.28 2.49 -9.21 -0.16 0
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393862 135021838 1 NOSiC23H43 ABCD23E43 -137.44 2.49 -8.01 0.74 0
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393863 135021839 1 FNC23H30 ABC23D30 -37.44 0.67 -8.14 -0.06 0
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393864 135021840 1 NO5C18H23 AB5C18D23 -186.49 2.09 -9.17 -0.23 0
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393866 135021842 1 BrNO4C10H10 ABC4D10E10 -97.62 3.76 -8.88 -0.72 0
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393867 135021843 2 N2O3C9H13 A2B3C9D13 -191.01 5.57 -9.02 -0.07 0
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393868 135021844 1 N4O5C13H22 A4B5C13D22 -176.58 2.25 -9.77 -0.35 0
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393869 135021845 5 NC5H5 AB5C5 107.25 3.96 -8.87 -1.06 0
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393870 135021846 1 OS2N3C31H35 AB2C3D31E35 37.02 1.89 -8.93 -1.37 0
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393871 135021847 1 O2N3H13C15 A2B3C13D15 75.87 5.36 -8.74 -1.2 0
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393872 135021848 2 O2C7H8 A2B7C8 -105.77 4.14 -9.79 -0.64 0
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393873 135021879 2 OC11H13 AB11C13 -26.61 3.66 -8.89 0.18 0
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393874 135021884 2 OH8C10 AB8C10 30.75 5.33 -8.87 -1.62 0
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393875 135021889 1 OP2H34C39 AB2C34D39 82.87 3.59 -8.0 -0.04 0
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393876 135021890 1 OC15H26 AB15C26 -90.7 2.58 -8.77 1.58 0
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393877 135021895 1 ClNO7H16C18 ABC7D16E18 -200.6 5.06 -9.42 -1.09 0
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393878 135021896 1 NO7H21C24 AB7C21D24 -161.84 7.09 -9.3 -1.04 0
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393879 135021897 1 NO7H19C23 AB7C19D23 -147.25 2.32 -9.3 -1.38 0
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393880 135021900 1 NO6H23C25 AB6C23D25 -176.32 2.84 -9.07 -1.22 0