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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394852 135023970 3 OC4H6 AB4C6 -134.48 2.89 -9.99 -0.51 0
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394853 135023978 2 SH5C6 AB5C6 84.44 0.18 -8.6 -0.6 0
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394854 135023979 2 NC8H10 AB8C10 47.84 4.02 -8.18 0.05 1
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394855 135023981 1 N2O4C15H19 A2B4C15D19 -132.77 4.51 0.0 0.0 1
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394856 135023982 1 N2O4C15H19 A2B4C15D19 -106.25 7.05 0.0 0.0 0
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394857 135023983 1 N2O4C15H18 A2B4C15D18 -126.12 5.86 -8.77 -1.24 0
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394858 135023984 1 ON2H12C16 AB2C12D16 48.39 3.25 -8.62 -1.32 0
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394859 135023991 1 N2O5H16C18 A2B5C16D18 -70.7 3.05 -8.78 -1.47 0
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394860 135023994 1 OSiF3C17H25 ABC3D17E25 -228.02 4.28 -9.57 0.0 0
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394861 135023997 1 BNSiO3C20H32 ABCD3E20F32 -218.29 3.8 -8.75 -0.26 0
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394862 135024002 1 BrNO2C10H18 ABC2D10E18 -34.35 3.77 -10.61 -1.14 0
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394863 135024003 1 O4H12C17 A4B12C17 -86.58 5.67 -9.59 -1.36 0
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394865 135024006 2 SN2F3C11H11 AB2C3D11E11 -266.12 9.66 -8.6 -1.55 0
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394866 135024007 1 FNH22C30 ABC22D30 77.21 3.26 -9.04 -0.66 2
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394867 135024008 1 SN2O3C4H8 AB2C3D4E8 -54.57 7.8 -7.22 -1.04 0
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394868 135024009 1 SiO2C26H38 AB2C26D38 -108.8 3.51 -8.92 0.19 0
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394869 135024010 1 FSH11C13 ABC11D13 -6.77 2.55 -8.7 -0.5 0
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394870 135024011 2 ClNC7H7 ABC7D7 30.08 2.35 -9.33 -0.41 0
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394871 135024012 1 N2S3H22C25 A2B3C22D25 94.53 3.58 -8.62 -0.53 0
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394872 135024013 3 NOSH7C8 ABCD7E8 17.78 4.02 -8.88 -1.02 0
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394873 135024014 1 NO4C13H15 AB4C13D15 -141.22 2.39 -9.36 -0.06 0
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394874 135024015 1 NO4H17C20 AB4C17D20 -99.5 2.98 -9.38 -1.37 0
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394875 135024016 1 NO2F3C10H10 AB2C3D10E10 -222.63 4.45 -10.33 -0.61 0
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394876 135024017 1 N3O7C24H29 A3B7C24D29 -258.73 4.93 -8.49 -0.75 0
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394877 135024018 1 N3O7C19H23 A3B7C19D23 -190.36 5.56 -9.52 -1.23 0
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394878 135024019 1 N4O7H22C23 A4B7C22D23 -138.34 11.55 -9.33 -1.49 0
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394879 135024020 1 N2O7C18H20 A2B7C18D20 -269.27 3.17 -9.61 -0.69 0
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394880 135024021 1 ON2H28C30 AB2C28D30 42.09 2.89 -8.51 -0.66 0
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394881 135024022 1 ON3H27C31 AB3C27D31 75.01 4.79 -8.62 -0.74 0
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394882 135024023 1 SN2O2H26C28 AB2C2D26E28 17.61 3.92 -8.5 -0.66 0
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394883 135024024 1 SN2O3H26C29 AB2C3D26E29 -14.54 3.57 -8.44 -0.63 0
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394884 135024025 1 OSN2H24C27 ABC2D24E27 57.04 2.94 -8.44 -0.62 0
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394885 135024026 1 SN2O2H26C29 AB2C2D26E29 13.46 5.63 -8.68 -0.8 0
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394886 135024028 1 OSN2H26C28 ABC2D26E28 46.81 3.19 -8.57 -0.7 2
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394887 135024036 1 OSn2F3H9C14 AB2C3D9E14 -54.65 4.6 -7.96 -2.53 0
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394888 135024039 1 BrNO4C20H24 ABC4D20E24 -132.46 1.67 -8.8 -0.74 0
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394889 135024040 1 NO4C23H27 AB4C23D27 -123.53 7.83 -8.95 -0.62 0
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394890 135024041 1 NS2O3C24H25 AB2C3D24E25 -60.32 2.43 -9.1 -1.21 0
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394894 135024048 1 ClO4C16H17 AB4C16D17 -135.11 2.95 -9.2 -0.56 0
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394895 135024065 2 NC9H9 AB9C9 90.78 3.83 -8.15 -0.17 0
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394896 135024073 1 Si2O11C48H86 A2B11C48D86 -634.35 4.43 -8.92 0.36 0
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394897 135024075 1 SiO5C26H48 AB5C26D48 -299.4 3.91 -8.73 0.21 0
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394898 135024082 1 C15H26 A15B26 -41.25 0.58 -8.95 1.71 0
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394899 135024092 1 CdC3S5 AB3C5 138.17 0.54 -7.92 -2.9 0
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394901 135024096 1 P2N7O11C18H27 A2B7C11D18E27 -541.32 7.93 -9.3 -0.76 -2
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394902 135024097 1 P2N7O11C18H25 A2B7C11D18E25 -445.88 4.49 -9.23 -1.78 -2
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394903 135024101 1 P2N7O11C18H25 A2B7C11D18E25 -508.58 7.62 -9.62 -2.02 0
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394904 135024102 1 P2N7O11C18H27 A2B7C11D18E27 -536.95 3.24 -8.88 -0.71 -2
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394905 135024103 1 P2N7O13C19H27 A2B7C13D19E27 -519.72 6.56 -9.35 -1.09 0
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394906 135024104 1 P2N7O13C19H29 A2B7C13D19E29 -609.58 8.63 -8.93 -0.62 0
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394907 135024105 1 O6N11C23H31 A6B11C23D31 -193.09 2.08 -9.14 -0.59 0
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394908 135024107 1 N2O4C15H18 A2B4C15D18 -123.0 1.84 -9.56 -0.57 0
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394909 135024109 1 FNO8C14H20 ABC8D14E20 -428.81 4.54 -10.25 0.1 0
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394910 135024110 1 SF3O5C17H17 AB3C5D17E17 -351.65 4.51 -9.11 -0.81 0
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394911 135024119 1 ON3H11C17 AB3C11D17 88.0 3.02 -9.1 -1.34 0
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394913 135024128 1 NO3C17H17 AB3C17D17 -74.7 2.51 -8.58 -0.62 0
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394914 135024130 1 N2O4C17H20 A2B4C17D20 -73.97 3.16 -9.17 -1.22 -5
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394915 135024148 1 CoO3N4C45H49 AB3C4D45E49 -122.65 39.49 -8.53 -3.32 0
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394916 135024149 1 ON4C43H50 AB4C43D50 36.71 3.13 -7.71 0.19 0
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394917 135024152 1 N3C27H35 A3B27C35 30.56 2.6 -9.26 -0.35 0
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394918 135024156 1 NO3C17H19 AB3C17D19 -35.36 4.28 -9.0 -0.45 0
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394919 135024157 1 NO3C21H21 AB3C21D21 -30.99 2.69 -8.95 -0.41 0
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394920 135024161 1 NO4C22H25 AB4C22D25 -107.72 2.72 -9.53 0.15 0
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394921 135024166 1 OPH23C28 ABC23D28 87.11 13.64 -7.05 -0.81 0
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394922 135024175 1 O5C21H26 A5B21C26 -180.9 4.57 -8.61 0.08 0
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394923 135024176 1 O5C21H26 A5B21C26 -178.26 3.96 -8.68 -0.18 0
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394924 135024177 1 O7C25H34 A7B25C34 -262.11 2.01 -8.47 0.15 0
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394925 135024178 1 O7C18H28 A7B18C28 -287.63 4.83 -8.77 -0.2 0
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394926 135024179 2 O4C13H17 A4B13C17 -282.06 1.9 -8.59 -0.05 0
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394927 135024180 1 O9C25H30 A9B25C30 -331.17 10.36 -8.9 -0.29 0
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394928 135024181 1 O9C26H36 A9B26C36 -340.72 6.05 -8.59 -0.04 0
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394929 135024184 1 NSO4H23C27 ABC4D23E27 -67.82 5.82 -8.8 -0.87 0
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394930 135024185 1 NSO5H25C28 ABC5D25E28 -117.44 7.93 -8.72 -0.73 0
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394931 135024186 1 NSO5H27C33 ABC5D27E33 -75.29 4.98 -8.81 -0.75 0
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394932 135024187 1 SN2O4H22C27 AB2C4D22E27 -41.28 6.53 -8.84 -0.82 0
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394933 135024188 1 SO2N3H17C25 AB2C3D17E25 84.43 11.59 -8.88 -1.18 0
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394934 135024189 1 NSO8C32H33 ABC8D32E33 -247.53 5.03 -8.32 -0.74 0
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394935 135024190 1 NSO6H31C34 ABC6D31E34 -152.68 9.74 -8.42 -0.93 0
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394936 135024191 1 NSO4H21C25 ABC4D21E25 -67.35 6.13 -8.08 -0.67 0
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394937 135024192 1 NSO3H19C24 ABC3D19E24 -30.52 6.88 -8.23 -0.68 0
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394938 135024193 1 NSO2H21C29 ABC2D21E29 33.13 6.17 -8.37 -0.78 0
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394941 135024196 1 ON2C22H32 AB2C22D32 -5.6 1.81 -8.58 0.22 0
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394942 135024197 2 NOC12H18 ABC12D18 -51.06 4.27 -8.53 0.44 1
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394943 135024198 1 ON2H17C19 AB2C17D19 61.68 5.33 0.0 0.0 0
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394944 135024200 2 O2C5H6 A2B5C6 -132.78 4.51 -10.3 -1.22 0
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394945 135024201 1 SiO4C19H28 AB4C19D28 -205.31 5.68 -8.85 -0.82 0
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394946 135024213 1 NO3C19H25 AB3C19D25 -53.86 2.74 -9.44 0.25 1
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394947 135024218 5 C3H5 A3B5 -21.45 0.34 0.0 0.0 0
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394948 135024219 1 NO2C15H17 AB2C15D17 -43.99 2.78 -9.49 -0.5 0
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394949 135024221 1 SiO2C24H38 AB2C24D38 -123.19 3.84 -9.1 0.41 0
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394950 135024224 2 O2C8H13 A2B8C13 -192.66 5.16 -8.93 0.51 0
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394951 135024225 2 NOF6H9C12 ABC6D9E12 -702.66 8.0 -10.27 -1.38 0
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394952 135024235 1 BPC7O7H14 ABC7D7E14 -301.17 5.08 -7.55 0.41 0
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394953 135024238 1 SiN2O6C21H44 AB2C6D21E44 -405.81 4.43 -9.06 0.69 0
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394954 135024246 1 NO3C29H33 AB3C29D33 -31.15 3.15 -9.02 0.08 0
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394955 135024258 1 S2O3N4C23H32 A2B3C4D23E32 -64.57 2.01 -8.55 -0.74 0
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394956 135024260 1 OSN2C14H16 ABC2D14E16 -0.13 6.12 -8.79 -0.59 0
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394957 135024274 1 NOH15C22 ABC15D22 70.41 4.52 -9.22 -0.98 0
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394958 135024277 1 O7C15H16 A7B15C16 -272.73 5.2 -10.48 -0.95 0
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394959 135024278 3 OC6H6 AB6C6 -92.85 6.92 -9.53 -0.72 0