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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410028 135082817 1 AlClP2N4O4C56H58 ABC2D4E4F56G58 -160.14 7.03 -8.21 -0.54 0
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410031 135082820 1 N2O2H8C13 A2B2C8D13 42.22 2.55 -9.55 -1.55 1
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410032 135082821 1 N2O2H9C13 A2B2C9D13 34.13 7.01 0.0 0.0 0
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410033 135082822 1 O2N3H7C8 A2B3C7D8 6.48 3.06 -9.49 -1.51 1
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410034 135082823 1 O2N3C8H8 A2B3C8D8 -2.66 6.3 0.0 0.0 0
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410035 135082824 1 ClFNOC13H15 ABCDE13F15 -63.39 4.42 -8.26 -0.15 0
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410036 135082825 1 BC16H27 AB16C27 -39.7 0.33 -9.09 0.65 0
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410037 135082826 1 BC18H35 AB18C35 -65.49 0.28 -9.1 0.54 0
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410038 135082827 1 SN2O4C6H8 AB2C4D6E8 -129.03 1.36 -10.51 -0.81 0
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410039 135082828 1 SN2O4H10C11 AB2C4D10E11 -96.02 4.9 -10.37 -0.92 0
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410040 135082829 1 BrSC14H15 ABC14D15 49.1 5.57 -7.57 -0.49 0
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410041 135082830 1 HOC8F13 ABC8D13 -680.63 2.28 -10.99 -1.29 0
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410042 135082831 1 OC9H16 AB9C16 -74.78 3.78 -9.74 0.77 0
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410043 135082832 1 BC9H17 AB9C17 -34.93 0.78 -8.89 0.65 0
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410044 135082833 1 BC11H13 AB11C13 15.41 0.69 -8.97 -0.31 0
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410045 135082834 1 BC10H15 AB10C15 7.05 0.59 -8.5 0.78 3
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410046 135082835 1 BFeO3C16H20 ABC3D16E20 65.88 3.7 0.0 0.0 0
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410047 135082836 1 BNPSiC23H33 ABCDE23F33 -133.54 4.16 -7.54 -0.1 0
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410048 135082837 1 NB2Si2C12H29 AB2C2D12E29 -132.68 0.87 -8.0 1.04 1
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410049 135082838 1 KNC10H12 ABC10D12 37.19 8.16 -5.63 0.12 0
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410050 135082839 1 NC10H12 AB10C12 52.67 1.59 0.0 0.0 1
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410051 135082840 1 KNC16H16 ABC16D16 44.02 9.17 -5.94 -0.09 0
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410052 135082841 1 NC16H16 AB16C16 72.23 1.8 0.0 0.0 0
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410053 135082842 1 FeN4O10H30C34 AB4C10D30E34 -153.15 9.73 -8.88 -2.1 0
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410054 135082843 1 ZnN4H32C44 AB4C32D44 359.99 4.56 -8.5 -1.6 0
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410055 135082844 2 N2O4H21C30 A2B4C21D30 152.83 15.48 -8.32 -2.02 0
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410056 135082845 1 NOH7C13 ABC7D13 75.51 5.28 -9.01 -1.82 0
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410057 135082846 1 NH9C14 AB9C14 147.83 0.36 -8.24 -1.14 0
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410059 135082848 1 AlO3C13H20 AB3C13D20 -115.5 2.46 0.0 0.0 -1
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410060 135082849 1 BPdP2F4H37C46 ABC2D4E37F46 -92.07 17.16 -7.12 -2.51 0
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410061 135082850 1 H9C10 A9B10 79.14 0.22 0.0 0.0 0
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410063 135082852 1 Fe2O5H7C13 A2B5C7D13 301.44 1.55 0.0 0.0 0
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410064 135082853 12 C2H3 A2B3 8.93 0.07 -8.45 0.55 0
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410066 135082855 2 C11H18 A11B18 -49.9 0.13 -8.85 0.55 0
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410067 135082856 2 NC8H9 AB8C9 106.69 2.03 -8.01 -1.28 0
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410068 135082857 2 H10C11 A10B11 86.9 2.63 -8.09 -0.55 0
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410069 135082858 1 ClC16H29 AB16C29 -22.58 1.64 -9.81 1.25 0
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410070 135082859 2 NO4C18H24 AB4C18D24 -298.53 6.42 -8.87 -1.67 0
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410080 135082869 1 BLiSi2C8H24 ABC2D8E24 -39.81 4.05 -6.81 0.96 -1
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410081 135082870 1 BSi2C8H24 AB2C8D24 -21.57 1.23 0.0 0.0 0
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410082 135082871 1 NPH8C11 ABC8D11 65.19 1.88 -8.84 -0.94 0
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410083 135082872 1 N3C13H13 A3B13C13 78.79 6.65 -9.81 -0.94 0
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410085 135082874 1 N3O4C19H23 A3B4C19D23 -99.45 5.42 -8.45 -1.4 0
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410086 135082875 1 N3O5C18H23 A3B5C18D23 -154.97 5.27 -8.55 -1.39 0
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410087 135082876 1 FNOC18H18 ABCD18E18 -24.31 3.02 -8.81 -0.71 0
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410088 135082877 1 NSO5C14H15 ABC5D14E15 -173.16 7.14 -9.01 -0.93 -1
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410090 135082879 1 ClSeC12H21 ABC12D21 -12.6 12.71 -8.41 -1.82 0
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410091 135082880 1 O2Se3H12C18 A2B3C12D18 14.12 4.87 -7.84 -1.06 0
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410092 135082881 2 SeO4C6H6 AB4C6D6 -281.37 2.22 -9.19 -1.26 0
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410093 135082882 1 LiO2C9H11 AB2C9D11 -61.61 6.39 -8.06 1.35 0
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410098 135082887 1 OS2N3H23C33 AB2C3D23E33 197.19 5.0 -8.05 -1.86 0
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410099 135082888 1 MgCl2N2O2H16C19 AB2C2D2E16F19 -82.69 4.93 -8.53 -0.8 0
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410100 135082889 1 ClN2O2H17C19 AB2C2D17E19 -6.32 5.09 -8.53 -0.39 0
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410101 135082890 1 O9C28H28 A9B28C28 -298.41 8.29 -8.08 -1.27 0
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410102 135082891 4 O2C5H5 A2B5C5 -302.97 4.65 -9.37 -1.08 0
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410103 135082892 1 O17C37H48 A17B37C48 -697.5 2.35 -9.67 -1.55 0
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410106 135082895 1 O11C12H22 A11B12C22 -498.36 2.26 -10.69 0.18 0
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410107 135082896 1 BrOSC11H11 ABCD11E11 14.05 6.5 -8.35 -1.45 1
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410108 135082897 1 OSC11H11 ABC11D11 -0.58 2.61 0.0 0.0 0
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410109 135082898 1 ClSO5H13C16 ABC5D13E16 64.17 16.17 -9.46 -2.65 1
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410110 135082899 1 OSH13C16 ABC13D16 31.68 2.46 0.0 0.0 0
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410111 135082900 1 NH3S3C4 AB3C3D4 40.23 0.65 -8.87 -2.08 0
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410112 135082901 1 TeN2O2H12C14 AB2C2D12E14 3.33 2.84 -8.32 -1.55 0
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410113 135082902 1 ClSH7C9 ABC7D9 60.74 3.18 -8.8 -0.57 0
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410114 135082903 1 ClPC15H16 ABC15D16 11.3 4.88 -9.19 -0.14 0
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410115 135082904 1 ClNOPH27C32 ABCDE27F32 83.73 6.18 -8.67 -0.52 0
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410116 135082905 1 BrClNOPC26H38 ABCDEF26G38 -61.82 8.29 -6.99 -0.49 0
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410117 135082906 1 BrPC19H20 ABC19D20 42.03 6.22 -8.5 -0.05 0
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410118 135082907 1 BrClNOPH26C32 ABCDEF26G32 91.09 3.09 -8.64 -0.38 0
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410119 135082908 1 NOPCl2C26H38 ABCD2E26F38 -76.62 5.08 -8.5 -0.41 0
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410120 135082909 1 NOPCl2H26C32 ABCD2E26F32 73.03 6.05 -8.84 -0.53 0
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410121 135082910 1 NPSF3O3H25C32 ABCD3E3F25G32 -148.25 13.5 -9.63 -1.17 0
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410122 135082911 1 PO3F6H19C23 AB3C6D19E23 -399.08 11.89 -9.91 -0.74 0
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410123 135082912 1 BrPO2H22C27 ABC2D22E27 17.85 3.11 -9.02 -0.54 0
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410124 135082913 1 PB2F8H23C26 AB2C8D23E26 -486.77 22.92 -7.96 -3.08 0