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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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20794 585705 1 N3O3H17C20 A3B3C17D20 -0.98 4.76 -8.79 -1.3 0
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20795 585733 2 ON2C15H16 AB2C15D16 44.25 4.03 -8.23 -0.64 0
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20796 585736 1 ClNSO4C8H8 ABCD4E8F8 -67.66 3.33 -10.71 -1.64 0
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20797 585740 1 SnN2O2C32H52 AB2C2D32E52 -86.9 3.67 -8.58 -0.6 0
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20798 585755 1 NO6C16H23 AB6C16D23 -177.78 6.74 -9.17 -1.3 0
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20799 585778 1 ClNSH6C7 ABCD6E7 38.69 1.87 -9.09 -0.66 0
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20800 585779 2 O3C8H12 A3B8C12 -214.71 1.68 -8.45 0.16 0
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20801 585781 1 OH4N4C5 AB4C4D5 55.34 2.27 -10.28 -1.5 0
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20802 585785 2 C2H2N3 A2B2C3 144.45 0.0 -11.01 -1.8 0
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20803 585790 2 OC14H22 AB14C22 -122.74 0.63 -8.56 0.36 0
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20804 585792 1 NOCl2C6H13 ABC2D6E13 -50.68 2.01 -9.53 0.79 0
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20805 585796 1 ClN3O4H6C8 AB3C4D6E8 -30.37 3.65 -9.63 -1.95 0
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20806 585802 1 SN2O2H10C13 AB2C2D10E13 70.1 6.36 -8.41 -1.41 0
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20807 585803 1 NC11H19 AB11C19 29.85 0.63 -8.77 1.72 0
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20808 585808 1 OS3C6H12 AB3C6D12 -27.68 5.6 -8.33 0.2 0
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20809 585811 1 NO3C17H19 AB3C17D19 -88.31 4.85 -8.5 -0.02 0
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20810 585839 1 NO2C9H11 AB2C9D11 -0.95 5.77 -10.18 -1.3 0
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20811 585842 2 NO6C18H23 AB6C18D23 -513.81 6.16 -8.92 -1.09 0
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20812 585843 2 OC9H10 AB9C10 -66.35 1.63 -9.0 0.14 0
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20813 585846 1 ON2C26H29 AB2C26D29 32.68 2.53 0.0 0.0 1
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20814 585860 1 OC9H12 AB9C12 -11.29 1.94 -9.93 0.6 0
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20815 585862 1 FNOSH10C14 ABCDE10F14 -3.7 4.4 -8.99 -0.87 0
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20816 585868 1 FNO3H12C13 ABC3D12E13 -144.25 1.44 -9.32 -0.68 0
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20817 585876 2 OC4H4 AB4C4 -55.03 3.54 -9.21 -0.81 0
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20818 585887 1 FN2H5C7 AB2C5D7 15.65 3.17 -9.33 -0.57 0
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20819 585893 1 O3C27H44 A3B27C44 -179.06 2.44 -8.69 0.3 0
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20820 585936 1 ON2C15H18 AB2C15D18 -10.46 2.02 -9.28 -0.21 0
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20821 585938 1 N2O2C13H16 A2B2C13D16 -43.02 2.6 -9.27 -0.39 0
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20822 585942 2 NO3C10H11 AB3C10D11 -217.83 7.49 -8.75 -0.31 0
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20823 585943 1 NSO2C11H15 ABC2D11E15 -75.63 2.43 -8.97 -0.39 0
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20824 585946 1 ClN2O3C19H19 AB2C3D19E19 -89.01 1.6 -8.44 -0.52 0
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20825 585973 1 ClSN3O3H22C25 ABC3D3E22F25 7.72 15.88 -7.71 -1.83 0
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20826 585979 1 NC9H15 AB9C15 55.41 1.83 -8.32 0.38 0
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20827 585984 1 N2O3C20H24 A2B3C20D24 -73.61 4.86 -8.94 -0.79 0
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20828 585988 1 NOC14H23 ABC14D23 -59.32 3.18 -8.22 0.78 0
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20829 585993 1 NO5H15C16 AB5C15D16 -63.95 3.72 -8.92 -1.67 0
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20830 585996 1 PN2S2O4C5H11 AB2C2D4E5F11 -231.38 4.55 -9.33 -0.75 0
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20831 585998 1 O7H18C20 A7B18C20 -204.82 2.21 -8.49 -0.22 0
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20832 586013 1 NOC9H13 ABC9D13 -33.41 2.16 -8.3 0.37 0
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20833 586017 1 NO3C9H11 AB3C9D11 -110.08 6.13 -9.48 -0.38 0
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20834 586024 1 O2C15H26 A2B15C26 -138.7 1.74 -8.79 0.9 0
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20835 586041 1 ClNO5H14C16 ABC5D14E16 -71.65 5.66 -9.06 -1.47 0
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20836 586043 1 OSC10H10 ABC10D10 -18.85 1.64 -8.82 -0.75 0
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20837 586045 1 ON2C10H14 AB2C10D14 -43.87 5.18 -9.02 0.07 0
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20838 586053 1 NO2C11H17 AB2C11D17 -45.02 2.84 -9.39 -0.09 0
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20839 586054 1 O3N4C7H8 A3B4C7D8 42.2 2.83 -9.74 -1.55 0
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20840 586055 2 OSN2C3H3 ABC2D3E3 25.93 5.45 -9.18 -2.08 0
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20841 586070 1 O3N8C13H16 A3B8C13D16 -2.59 3.08 -9.36 -0.83 0
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20842 586078 1 NOC17H21 ABC17D21 4.44 3.3 -8.86 0.31 0
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20843 586086 1 O5C15H24 A5B15C24 -253.67 3.27 -10.19 0.38 0