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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398812 135035557 1 NO2C16H17 AB2C16D17 -36.34 1.9 -8.38 -0.32 0
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398813 135035560 1 N2O4C19H22 A2B4C19D22 -136.91 5.01 -8.88 -0.07 0
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398814 135035564 1 N3O6C25H31 A3B6C25D31 -199.11 4.51 -9.07 -1.11 0
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398815 135035568 1 N2O3C19H20 A2B3C19D20 -74.22 6.24 -8.26 0.0 0
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398816 135035577 1 NO7H21C23 AB7C21D23 -219.23 6.14 -8.94 -1.01 -1
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398817 135035580 1 NPdO2C13H18 ABC2D13E18 71.03 5.13 0.0 0.0 0
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398818 135035596 1 NC18H19 AB18C19 62.96 1.99 -8.21 0.38 0
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398819 135035597 2 FNC10H11 ABC10D11 -22.23 2.52 -8.83 -0.35 0
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398820 135035599 1 O3C21H28 A3B21C28 -123.3 3.82 -9.61 -0.23 0
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398821 135035601 1 N2S2O5C25H28 A2B2C5D25E28 -180.27 3.7 -8.85 -1.49 0
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398822 135035610 1 BrNSO2H26C31 ABCD2E26F31 41.44 4.14 -8.36 -0.68 0
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398823 135035612 1 BrNO4H22C24 ABC4D22E24 -98.42 6.31 -9.76 -0.96 0
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398824 135035614 1 PO3H17C20 AB3C17D20 7.32 5.31 -9.65 -0.87 0
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398825 135035621 1 NO2C21H21 AB2C21D21 -44.61 1.46 -8.21 0.15 0
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398826 135035624 2 ON2C15H18 AB2C15D18 -1.13 9.58 -8.2 -0.94 0
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398827 135035626 1 OS2H30C32 AB2C30D32 51.78 2.57 -8.32 -0.35 0
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398828 135035640 2 O4H13C14 A4B13C14 -203.23 11.39 -9.05 -1.71 0
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398829 135035648 1 O3C17H20 A3B17C20 -122.51 2.93 -8.39 -0.07 0
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398830 135035649 1 N2C21H28 A2B21C28 35.1 2.8 -8.67 0.17 0
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398831 135035650 1 NSO5C28H43 ABC5D28E43 -206.67 6.15 -8.85 -0.39 0
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398832 135035651 1 NSO5C28H41 ABC5D28E41 -229.88 5.3 -9.48 -0.3 0
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398833 135035652 1 NSO4C28H39 ABC4D28E39 -149.19 8.63 -8.69 -0.54 0
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398835 135035654 1 SN3O6C30H43 AB3C6D30E43 -179.98 5.42 -8.81 -0.68 1
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398836 135035655 1 SN3O6C30H44 AB3C6D30E44 -9.29 5.98 0.0 0.0 0
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398837 135035661 1 NO5C19H25 AB5C19D25 -177.18 3.68 -9.35 0.01 0
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398838 135035665 1 O9H26C28 A9B26C28 -302.73 4.14 -9.96 -0.82 0
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398839 135035681 1 N3O5C18H25 A3B5C18D25 -179.49 4.89 -9.0 -0.02 0
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398840 135035699 1 ClON3H14C21 ABC3D14E21 58.0 4.33 -8.67 -1.13 0
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398841 135035703 1 N3O5C16H25 A3B5C16D25 -227.74 1.88 -9.34 -0.6 0
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398842 135035705 6 OC3H4 AB3C4 -271.31 2.01 -8.8 0.49 0
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398843 135035708 1 ClMgOC5H11 ABCD5E11 -83.92 6.68 -9.54 -0.09 0
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398844 135035716 1 NO2C9H13 AB2C9D13 -51.0 3.83 -9.36 0.09 0
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398845 135035728 1 NSnO5C41H59 ABC5D41E59 -172.93 7.15 -8.9 -0.16 0
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398846 135035731 1 SnO5C18H38 AB5C18D38 -266.47 3.13 -9.31 0.62 0
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398847 135035736 1 ON2H8C10 AB2C8D10 61.91 2.92 -9.66 -0.66 0
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398848 135035753 1 NO4C17H19 AB4C17D19 -106.9 7.13 -9.92 -0.49 0
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398849 135035759 1 ON2H17C22 AB2C17D22 64.63 3.55 0.0 0.0 0
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398850 135035761 2 OF7H10C17 AB7C10D17 -679.79 9.12 -9.09 -1.68 0
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398851 135035762 1 NO2C16H27 AB2C16D27 -94.79 2.3 -9.02 1.6 0
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398852 135035764 1 SCl2N2H18C19 AB2C2D18E19 60.79 3.23 -9.07 -0.53 0
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398853 135035768 1 NO3H13C17 AB3C13D17 16.14 7.2 -9.64 -1.57 0
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398854 135035773 1 BrNO2F3H9C18 ABC2D3E9F18 -120.26 2.36 -9.13 -1.66 1
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398855 135035787 5 OC4H5 AB4C5 -167.8 4.06 0.0 0.0 0
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398856 135035805 1 NO3H13C16 AB3C13D16 -55.85 7.65 -9.54 -1.37 0
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398857 135035841 1 NOC12H19 ABC12D19 -48.88 1.96 -8.21 0.32 0
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398858 135035862 1 SN3O5C28H33 AB3C5D28E33 -103.41 6.43 -8.83 -0.62 0
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398859 135035868 1 ON2H18C20 AB2C18D20 29.62 3.2 -8.34 0.06 0
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398860 135035870 1 N2O2H20C23 A2B2C20D23 36.15 4.18 -8.68 -0.58 0
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398861 135035874 1 SO5C11H12 AB5C11D12 -183.42 3.23 -8.79 -1.0 0
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398863 135035891 2 NO2C11H11 AB2C11D11 -101.51 3.14 -7.56 -0.53 0
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398864 135035895 1 O5C20H26 A5B20C26 -170.31 3.09 -8.09 -0.24 0
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398865 135035897 1 NO3H27C28 AB3C27D28 -20.92 3.99 -8.08 0.04 0
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398866 135035899 1 NO4C17H21 AB4C17D21 -113.21 5.22 -7.81 0.12 0
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398867 135035910 2 OSiC9H17 ABC9D17 -142.01 2.41 -8.69 0.37 0
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398868 135035917 1 SN2O3H22C24 AB2C3D22E24 -2.79 6.72 -8.51 -0.55 0
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398869 135035919 1 NO6C19H25 AB6C19D25 -220.41 1.77 -9.46 0.15 0
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398870 135035935 1 NSO3H15C17 ABC3D15E17 -56.13 3.09 -8.89 -0.61 0
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398871 135035937 1 SnSi2O3C38H76 AB2C3D38E76 -292.47 2.34 -8.79 -0.55 0
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398872 135035942 1 SN2O7C23H30 AB2C7D23E30 -286.24 6.82 -9.87 -0.7 0
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398873 135035949 2 H51C73 A51B73 601.23 1.29 -7.61 -1.13 0
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398874 135035956 1 S2O3N4H24C25 A2B3C4D24E25 27.6 7.02 -8.42 -1.32 0
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398875 135035957 2 S2N3O3C17H18 A2B3C3D17E18 34.1 9.69 -7.3 -2.27 0
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398876 135035965 4 OC5H6 AB5C6 -110.35 3.01 -8.51 -1.25 0
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398877 135035966 1 NOH13C14 ABC13D14 11.73 7.07 -8.88 -0.5 0
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398878 135035986 2 O2C11H14 A2B11C14 -133.79 0.21 -9.55 0.18 0
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398879 135035991 1 OSN3F6H29C30 ABC3D6E29F30 -271.16 8.66 -8.71 -1.09 0
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398880 135035995 1 P2N9O15C27H33 A2B9C15D27E33 -657.94 8.46 -9.23 -1.88 0
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398881 135036017 1 NOH17C21 ABC17D21 53.79 3.38 -8.33 -0.37 0
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398882 135036025 1 O3C21H22 A3B21C22 -103.6 4.42 -9.61 -0.68 0
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398883 135036026 1 O4C21H22 A4B21C22 -140.76 4.17 -9.6 -0.77 0
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398884 135036027 1 O3C21H22 A3B21C22 -104.32 3.62 -9.63 -0.68 1
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398885 135036035 1 OC7H9 AB7C9 4.65 2.54 0.0 0.0 0
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398886 135036039 2 NOH12C14 ABC12D14 -3.14 6.88 -8.36 -0.61 0
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398888 135036076 1 O5C23H34 A5B23C34 -263.44 6.01 -9.28 0.7 0
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398889 135036088 1 NO3C18H25 AB3C18D25 -138.97 2.43 -9.01 -0.72 0
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398890 135036091 2 O2C9H9 A2B9C9 -108.09 4.39 -8.7 -0.16 -1
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398891 135036093 1 ClNC7H7 ABC7D7 23.04 3.7 0.0 0.0 0
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398892 135036098 1 P2O3H28C30 A2B3C28D30 -91.61 4.07 -9.79 -0.22 0
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398893 135036115 1 NOSC9H19 ABCD9E19 -74.32 2.57 -9.24 0.12 0
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398894 135036119 1 O9H26C28 A9B26C28 -301.23 5.59 -9.99 -0.85 0
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398895 135036120 1 O9H26C28 A9B26C28 -303.57 3.59 -9.88 -0.71 0
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398896 135036122 1 O9H26C28 A9B26C28 -302.4 2.69 -10.0 -0.85 0
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398897 135036134 1 NSO5C24H27 ABC5D24E27 -185.04 1.7 -9.65 -0.66 1
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398898 135036138 1 NO3C19H20 AB3C19D20 -87.66 3.41 0.0 0.0 0
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398899 135036139 1 NOSC23H23 ABCD23E23 18.83 3.32 -8.71 -0.22 0
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398900 135036154 1 Si2O3N4C22H38 A2B3C4D22E38 -171.76 7.75 -9.04 -1.25 -1
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398901 135036157 1 NYO5H22C27 ABC5D22E27 -84.12 8.74 -5.72 -1.54 0
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398902 135036166 1 BrNO3H14C17 ABC3D14E17 117.24 6.11 -9.79 -1.43 0
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398904 135036171 1 NO3C5H7 AB3C5D7 -101.05 4.14 -10.38 0.17 0
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398905 135036177 1 NC15H19 AB15C19 3.03 1.27 -7.91 0.39 0
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398907 135036188 1 ON2C15H16 AB2C15D16 14.79 3.15 -8.57 -0.13 0
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398908 135036198 1 O2N3H11C16 A2B3C11D16 107.43 5.4 -10.22 -1.54 0
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398909 135036200 1 NO2H29C37 AB2C29D37 59.03 2.98 -8.59 -0.62 0
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398911 135036213 1 P2N9O15C27H31 A2B9C15D27E31 -569.25 11.42 -9.45 -2.38 0
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398912 135036244 6 OH11C12 AB11C12 524.6 5.97 -5.58 -3.18 0
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398913 135036255 1 N2O3C10H10 A2B3C10D10 -43.84 2.95 -9.78 -0.66 0
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398914 135036265 1 ClNOSC17H18 ABCDE17F18 -18.44 2.05 -8.76 -0.26 0
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398915 135036267 1 BrNOSC17H18 ABCDE17F18 -6.34 3.16 -8.79 -0.33 0
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398916 135036270 1 O7C12H18 A7B12C18 -333.71 2.27 -10.42 0.48 0
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398917 135036271 2 O3C10H14 A3B10C14 -277.95 2.45 -8.77 0.37 0