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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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2802 8586 2 NO2C10H12 AB2C10D12 -123.7 5.38 -9.53 -0.63 0
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2803 8590 1 ON3C17H25 AB3C17D25 17.21 2.79 -8.9 -0.13 0
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2804 8594 1 NO3H13C18 AB3C13D18 -58.37 5.08 -8.59 -1.08 0
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2805 8595 1 NNaO3H12C18 ABC3D12E18 -115.35 6.82 -8.46 -0.64 0
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2806 8600 1 O7C12H14 A7B12C14 -263.43 8.29 -10.48 -1.85 0
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2807 8602 1 ClNO2C10H10 ABC2D10E10 -73.26 3.04 -9.5 -0.68 0
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2808 8607 1 NSO2Cl3H4C9 ABC2D3E4F9 -37.52 5.55 -9.6 -1.69 0
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2809 8620 1 HSCl5C6 ABC5D6 0.34 1.14 -9.23 -1.36 0
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2810 8626 1 N2Na4S5O14H28C30 A2B4C5D14E28F30 -742.14 20.75 -8.18 -0.15 0
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2811 8627 1 N2S5O14C30H32 A2B5C14D30E32 -486.86 6.01 -9.35 -0.84 0
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2812 8629 1 N2P2C15O17H24 A2B2C15D17E24 -866.54 9.44 -9.9 -0.46 0
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2813 8630 1 NCl2O2H5C7 AB2C2D5E7 -78.42 6.02 -9.34 -1.19 0
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2814 8631 1 I2O3H4C7 A2B3C4D7 -71.71 6.12 -9.79 -1.94 0
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2815 8632 1 O7H10C18 A7B10C18 -169.03 9.44 -10.5 -1.94 0
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2816 8635 1 NO2C8H9 AB2C8D9 -67.93 1.14 -8.68 -0.35 0
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2817 8642 1 FPN2O8C9H12 ABC2D8E9F12 -451.55 8.02 -9.99 -0.82 0
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2819 8648 1 ClNOC10H16 ABCD10E16 -71.33 3.26 -9.26 -0.11 0
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2820 8649 1 SN2O6C20H32 AB2C6D20E32 -253.92 11.12 -9.32 -0.1 0
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2821 8650 1 NOC10H15 ABC10D15 -30.19 2.87 -8.96 -0.04 0
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2822 8658 2 OC4H4 AB4C4 -45.52 5.3 -9.35 -0.59 0
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2823 8659 1 NCl2O3H7C12 AB2C3D7E12 0.27 4.69 -9.58 -1.69 0
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2824 8660 1 SO4H8C9 AB4C8D9 -145.69 9.67 -9.63 -1.47 0
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2825 8661 1 S2N4O9C23H26 A2B4C9D23E26 -269.62 33.99 -9.07 -2.95 0
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2826 8662 1 ON4H20C21 AB4C20D21 114.41 2.19 -4.25 -2.83 2
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2827 8663 1 OH8C10 AB8C10 -5.54 0.96 -8.75 -0.53 0
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2828 8664 1 O2N3C6H9 A2B3C6D9 22.3 3.09 -9.52 -1.12 0
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2830 8673 1 Na2S2H6O7C10 A2B2C6D7E10 -338.34 4.85 -8.47 -0.54 0
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2831 8677 6 H3C4 A3B4 92.79 0.0 -8.89 -0.31 0
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2832 8684 1 ZnN2S4C18H36 AB2C4D18E36 -61.83 1.01 -8.36 -0.12 0
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2833 8686 1 O3Cl5H9C11 A3B5C9D11 -146.27 3.09 -9.2 -0.84 0
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2834 8687 1 NNaS2C9H18 ABC2D9E18 -49.33 2.65 -7.65 0.37 0
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2835 8688 1 NaOH2Cl3C6 ABC2D3E6 -81.47 11.41 -7.84 -0.18 0
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2836 8689 1 N3H11C12 A3B11C12 102.07 0.95 -8.55 -0.64 0
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2837 8690 1 O3H10C13 A3B10C13 -72.95 1.47 -9.23 -0.87 0
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2839 8695 1 ClN2O2C15H25 AB2C2D15E25 -119.92 4.25 -8.74 -0.3 0
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2840 8696 1 CoO4C16H30 AB4C16D30 -152.4 65.95 0.0 0.0 0
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2841 8700 1 NaSCl2O5H7C8 ABC2D5E7F8 -269.66 6.15 -9.35 -0.95 0
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2842 8702 1 N2O3C8H10 A2B3C8D10 -29.78 7.9 -8.84 -1.13 0
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2843 8703 1 NOC9H13 ABC9D13 -31.84 2.6 -8.4 0.4 0
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2844 8706 1 SN2H6C7 AB2C6D7 47.29 1.8 -8.87 -0.5 0
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2845 8707 1 OSCl2N3C15H25 ABC2D3E15F25 -71.51 1.05 -8.36 -0.4 0
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2846 8708 1 OSN3C15H23 ABC3D15E23 -5.54 1.1 -8.17 -0.22 0
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2847 8710 1 OC12H22 AB12C22 -87.75 3.1 -9.77 0.79 0
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2848 8716 1 NNaO3C15H28 ABC3D15E28 -221.82 7.31 -8.65 0.34 0
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2849 8721 1 CuN2S4C6H12 AB2C4D6E12 85.71 4.49 0.0 0.0 0
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2850 8727 1 NNaC2S2H4 ABC2D2E4 -15.89 5.76 -7.89 0.3 0
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2851 8731 1 O7C22H38 A7B22C38 -335.96 3.01 -9.27 -0.67 0
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2852 8732 2 ClN2C7H10 AB2C7D10 25.32 37.7 -7.3 -3.33 0
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2853 8733 2 O2C12H19 A2B12C19 -218.43 2.05 -10.4 -0.94 0
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2854 8740 1 NSH5O5C6 ABC5D5E6 -100.1 1.67 -11.17 -2.2 0
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2855 8742 1 O5C7H10 A5B7C10 -212.44 3.93 -10.77 -0.66 0
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2856 8744 1 ClNO3C9H14 ABC3D9E14 -151.55 1.08 -9.06 -0.4 0
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2857 8745 1 KNO2H6C7 ABC2D6E7 -104.02 6.1 -8.03 0.42 0
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2858 8746 1 HgNaO3H6C7 ABC3D6E7 -119.27 10.25 0.0 0.0 0
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2860 8753 1 ClNC21H38 ABC21D38 5.21 37.96 -5.63 -2.24 0
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2861 8754 1 NC21H38 AB21C38 -5.5 3.98 0.0 0.0 1
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2862 8755 1 ClNC23H42 ABC23D42 -30.73 12.86 -8.41 -0.71 0
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2863 8756 1 NC23H42 AB23C42 -17.64 4.32 0.0 0.0 1
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2865 8758 1 NC6O6H9 AB6C6D9 -257.93 4.31 -10.48 -0.3 0
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2866 8759 2 NNaO4C5H7 ABC4D5E7 -450.0 4.1 -8.95 0.49 0
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2867 8760 1 NNaO4C6H12 ABC4D6E12 -226.56 8.56 -8.89 1.12 0
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2869 8763 2 O3C6H10 A3B6C10 -296.92 2.38 -10.82 0.68 0
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2870 8764 1 NOH11C12 ABC11D12 13.98 2.22 -8.37 0.0 0
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2871 8765 1 SN2C12H12 AB2C12D12 44.8 3.95 -8.02 0.14 0
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2872 8766 1 SH10C12 AB10C12 51.4 1.97 -8.63 -0.21 0
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2873 8767 2 OC9H13 AB9C13 -97.9 2.18 -9.19 0.15 0
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2874 8768 1 O3H6C7 A3B6C7 -89.3 3.34 -9.2 -0.94 0
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2875 8769 1 NO2C6H15 AB2C6D15 -102.89 3.07 -9.02 1.99 0
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2876 8770 1 NaSO4C14H29 ABC4D14E29 -280.54 7.76 -10.01 0.28 0
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2877 8771 1 SO4C14H30 AB4C14D30 -238.16 3.92 -10.84 -0.66 0
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2878 8772 1 N2Na3O7C10H15 A2B3C7D10E15 -459.09 8.58 -8.59 0.3 0
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2879 8773 1 N2O7C10H18 A2B7C10D18 -305.96 1.26 -10.16 -0.22 0
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2882 8776 1 SO3N4C6H8 AB3C4D6E8 -23.14 5.18 -9.86 -1.9 0
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2883 8777 1 NSO7C18H41 ABC7D18E41 -367.76 3.91 -9.25 -0.82 0
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2884 8778 1 SO4C12H26 AB4C12D26 -220.7 3.59 -10.77 -0.78 0