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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412028 135084891 2 BrOH6C10 ABC6D10 -5.6 3.32 -8.86 -1.04 0
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412029 135084892 1 CuO4F6C23H36 AB4C6D23E36 -357.51 2.66 0.0 0.0 0
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412030 135084893 1 O2C19H32 A2B19C32 -114.46 0.9 -8.59 1.15 0
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412033 135084896 1 ZnBr2N2O2H48C54 AB2C2D2E48F54 126.63 2.91 -8.71 -1.62 0
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412034 135084897 1 BrON2F3C27H28 ABC2D3E27F28 -134.28 12.35 -8.42 -1.25 -4
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412036 135084899 1 NO3C23H45 AB3C23D45 -191.45 4.61 -8.84 0.15 0
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412037 135084900 1 SiO4C16H20 AB4C16D20 -138.43 1.25 -8.95 -0.07 0
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412039 135084902 1 ClN3O5C32H50 AB3C5D32E50 -282.86 9.96 -8.84 -0.59 0
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412040 135084903 1 N4O5C16H26 A4B5C16D26 -236.02 6.94 -9.16 -0.01 0
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412041 135084904 1 NO4C17H31 AB4C17D31 -239.32 3.21 -10.26 0.16 -1
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412042 135084905 1 IrC9H15 AB9C15 136.73 5.42 -9.19 -5.28 0
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412043 135084906 1 OC12H12 AB12C12 40.85 2.13 -9.24 -0.23 0
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412044 135084907 2 N3C5H8 A3B5C8 68.15 1.0 -7.99 0.28 0
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412045 135084908 1 SO2C13H22 AB2C13D22 -82.89 2.27 -8.3 0.4 0
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412046 135084909 1 ClO5C9H15 AB5C9D15 -232.22 3.17 -10.42 0.0 0
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412047 135084910 1 O2C9H14 A2B9C14 -77.64 2.05 -9.85 -0.16 0
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412048 135084911 1 IOC7H11 ABC7D11 -3.22 3.0 -9.49 -0.99 0
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412049 135084912 1 AlN2C8H13 AB2C8D13 24.07 2.15 -8.23 0.59 0
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412050 135084913 1 ZrC2S2F6O7 AB2C2D6E7 -693.21 3.7 -10.06 -2.07 0
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412052 135084915 2 AuClPO2C28H28 ABCD2E28F28 -56.24 33.63 -7.78 -2.28 0
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412053 135084916 2 AuClPO2H14C19 ABCD2E14F19 -2.36 7.45 -8.49 -1.87 0
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412054 135084917 1 BrN2C14H17 AB2C14D17 41.48 11.82 -8.22 -1.97 0
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412056 135084919 1 BRhP2F4C25H36 ABC2D4E25F36 -332.56 4.97 -7.39 -3.77 0
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412057 135084920 1 CuC2H2N2S2O4F6 AB2C2D2E2F4G6 -367.26 3.86 0.0 0.0 0
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412058 135084921 1 CoN2Cl4O4C28H34 AB2C4D4E28F34 -169.65 40.84 0.0 0.0 0
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412059 135084922 2 NCl2O2C14H17 AB2C2D14E17 -165.17 8.87 -8.32 -1.26 0
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412060 135084923 1 CoO2N4H46C61 AB2C4D46E61 127.53 40.73 0.0 0.0 0
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412061 135084924 1 O2N4H46C61 A2B4C46D61 293.18 6.45 -7.49 -1.67 0
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412062 135084925 1 CoBr2N2O4C30H40 AB2C2D4E30F40 -188.26 33.12 0.0 0.0 0
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412063 135084926 1 CoN2O4C30H42 AB2C4D30E42 -228.72 14.81 0.0 0.0 0
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412064 135084927 1 CoN2O5C38H60 AB2C5D38E60 -357.04 30.05 0.0 0.0 -1
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412065 135084928 1 CoSN2F3O5C37H54 ABC2D3E5F37G54 -408.82 16.65 -8.83 -5.6 0
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412066 135084929 1 NiPO7C52H79 ABC7D52E79 -267.49 10.27 -7.76 -3.86 1
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412067 135084930 1 N2C42H47 A2B42C47 109.49 1.55 0.0 0.0 0
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412068 135084931 2 ON2C24H27 AB2C24D27 38.41 4.92 -8.48 -0.37 0
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412070 135084933 1 CrN2O4C30H42 AB2C4D30E42 31.14 1.03 -6.31 -0.84 -2
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412071 135084934 1 PdBr2N6C15H28 AB2C6D15E28 117.87 17.79 -5.01 -2.21 0
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412072 135084935 3 N2C5H10 A2B5C10 47.94 2.35 -8.66 0.56 0
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412073 135084936 1 IO6C32H41 AB6C32D41 -271.94 3.18 -9.04 -0.89 0
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412074 135084937 1 OAu2N4C54H80 AB2C4D54E80 66.87 20.13 -7.0 -1.12 0
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412075 135084938 1 ORhN2C30H43 ABC2D30E43 -38.86 14.74 -9.2 -2.87 0
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412076 135084939 2 NC14H20 AB14C20 19.04 2.33 -7.95 0.31 -1
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412078 135084941 1 AuClNC25H38 ABCD25E38 14.01 11.72 0.0 0.0 -1
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412080 135084946 1 SiN5C32H49 AB5C32D49 6.5 7.13 -8.49 -0.27 -1
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412081 135084947 1 PdN2O5F6C25H29 AB2C5D6E25F29 -456.37 5.9 0.0 0.0 0
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412082 135084948 1 N2C27H36 A2B27C36 40.6 1.4 -8.68 0.37 -2
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412083 135084949 1 B2Cu3N12C24H38 A2B3C12D24E38 240.98 5.59 0.0 0.0 -1
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412086 135084952 1 OPdCl2N3C39H62 ABC2D3E39F62 28.58 2.63 0.0 0.0 0
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412087 135084953 1 ClCuN2C16H17 ABC2D16E17 78.79 7.95 0.0 0.0 0
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412088 135084954 1 AuON3H30C37 ABC3D30E37 309.64 6.02 -6.94 -1.74 0
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412089 135084955 1 OPdN2C24H28 ABC2D24E28 82.84 4.51 -7.18 -0.58 0
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412090 135084956 1 NOC11H21 ABC11D21 -67.77 0.93 -8.05 1.37 -2
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412091 135084957 1 IrPN2C29H33 ABC2D29E33 208.82 17.49 0.0 0.0 0
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412093 135084959 1 RuCl2N4H8F20C44 AB2C4D8E20F44 -292.47 7.03 -7.82 -3.0 0
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412094 135084960 1 CuN2O2C30H30 AB2C2D30E30 71.54 6.86 0.0 0.0 -1
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412095 135084961 1 IrON2C11H13 ABC2D11E13 105.59 8.68 -8.62 -4.61 2
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412097 135084963 1 CuLiN2C18H36 ABC2D18E36 -7.93 5.96 -6.6 0.68 0
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412098 135084964 2 BNaH4O5 ABC4D5 -588.57 3.11 -7.95 0.79 -1
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412099 135084965 1 LiNZnCl2C10H21 ABCD2E10F21 -262.88 4.64 0.0 0.0 0
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412102 135084968 1 LiOSiC8H17 ABCD8E17 -102.24 4.08 -8.72 1.45 0
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412103 135084976 1 ClF2O2H3C8 AB2C2D3E8 -124.14 2.02 -10.14 -1.63 0
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412104 135084978 2 N2O3C27H29 A2B3C27D29 -87.27 2.52 -8.48 -1.15 0
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412105 135084979 1 NTiO4C27H35 ABC4D27E35 -102.38 7.27 -6.41 -0.45 0
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412106 135084980 1 NTiO4C36H53 ABC4D36E53 -162.21 6.5 -7.96 -3.13 0
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412108 135084982 1 CoN2O6C36H52 AB2C6D36E52 -339.71 35.71 0.0 0.0 0
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412109 135084983 2 NO2C17H24 AB2C17D24 -183.02 3.43 -8.04 -0.64 1
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412110 135084984 1 N6C32H39 A6B32C39 70.09 4.17 0.0 0.0 1
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412111 135084985 1 N4H31C34 A4B31C34 118.59 3.22 0.0 0.0 0
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412112 135084986 2 N2H15C17 A2B15C17 125.6 3.56 -8.29 -0.98 0
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412113 135084987 1 FeNC23H35 ABC23D35 152.92 4.29 -7.56 -0.53 0
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412114 135084988 1 FeNOSiC25H48 ABCDE25F48 91.98 2.84 0.0 0.0 0
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412115 135084989 1 OPN2C31H31 ABC2D31E31 56.29 3.12 -8.75 -0.67 0
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412116 135084990 1 N6O7C42H60 A6B7C42D60 -343.36 7.11 -9.17 0.22 0
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412117 135084991 1 BrNSC16H16 ABCD16E16 53.33 5.93 -7.56 -1.14 -1
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412118 135084992 1 NOC16H20 ABC16D20 33.38 2.54 0.0 0.0 0
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412119 135084993 1 NOC16H21 ABC16D21 11.81 2.51 -8.58 0.2 0
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412120 135084994 2 NOPH21C27 ABCD21E27 107.57 5.77 -8.38 -0.38 0
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412121 135084995 1 CInSF3O3 ABCD3E3 -275.87 3.2 -10.14 -1.08 0
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412122 135084996 1 NPO4C65H98 ABC4D65E98 -237.16 2.63 -8.2 0.43 0
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412123 135084997 1 SN2O3C36H42 AB2C3D36E42 -29.95 17.58 -8.48 -0.93 -1
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412126 135085000 1 NO3C11H11 AB3C11D11 -54.97 2.84 -9.55 -0.21 0
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412127 135085001 1 ClCuPC12H27 ABCD12E27 -53.21 5.66 -8.22 0.44 1
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412128 135085002 1 ON2F12H31C37 AB2C12D31E37 -568.08 3.43 0.0 0.0 0
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412129 135085003 1 ClO2N4H33C35 AB2C4D33E35 34.46 4.96 -8.92 -1.11 0
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412130 135085004 1 NOPC19H32 ABCD19E32 -66.17 3.21 -7.5 0.7 0
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412131 135085005 1 BPF4C9H22 ABC4D9E22 -393.12 1.66 -8.35 0.82 0
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412134 135085008 1 Ti2N4O10C73H102 A2B4C10D73E102 -377.54 3.58 -7.9 -3.3 0
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412135 135085009 1 N4O8C73H98 A4B8C73D98 -305.57 3.05 -8.06 -0.9 0
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412136 135085010 1 NPO2H38C40 ABC2D38E40 -22.64 0.51 -8.31 -0.36 0
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412139 135085013 1 IrN4C11H20 AB4C11D20 210.03 22.77 0.0 0.0 -2
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412140 135085014 1 IrN3C21H33 AB3C21D33 195.66 11.42 0.0 0.0 1
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412141 135085015 1 N2C41H43 A2B41C43 106.04 2.02 0.0 0.0 0
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412142 135085016 1 NiN4C19H37 AB4C19D37 80.31 1.51 0.0 0.0 -2
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412143 135085017 1 BrNiN5C29H35 ABC5D29E35 126.13 3.75 0.0 0.0 0
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412144 135085018 1 N5C29H37 A5B29C37 76.03 4.34 -7.97 -0.36 0
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412145 135085019 1 PdN2O2C32H34 AB2C2D32E34 85.08 19.04 -5.49 -0.92 8
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412147 135085021 1 OBr3N3H12C18 AB3C3D12E18 86.26 2.27 -9.1 -0.96 0
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412148 135085022 1 ON3C18H25 AB3C18D25 7.53 1.58 -9.26 0.46 0
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412150 135085024 1 SN4O4C28H32 AB4C4D28E32 -85.65 4.31 -8.68 -0.71 0
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412151 135085025 1 Br2O2N4C57H66 A2B2C4D57E66 102.67 16.69 -7.52 -1.14 2