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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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27973 824489 1 OSN3C16H19 ABC3D16E19 10.9 3.82 -8.58 -0.64 0
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27974 824492 1 NO2C21H23 AB2C21D23 -36.36 3.47 -7.88 0.14 0
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27975 824493 1 ClNSO2C18H18 ABCD2E18F18 -44.67 2.57 -9.16 -0.86 0
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27976 824494 1 ClNOSC19H20 ABCDE19F20 -16.56 2.85 -8.94 -0.74 0
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27977 824495 1 NO2C21H23 AB2C21D23 -36.73 3.61 -7.97 0.17 0
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27978 824500 5 OC2H2 AB2C2 -160.29 4.51 -10.88 -0.16 0
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27979 824501 1 O5C10H12 A5B10C12 -204.74 4.95 -11.13 0.09 0
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27980 824502 1 NO5C11H13 AB5C11D13 -163.26 3.58 -10.23 -0.38 0
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27981 824507 1 NO4C12H21 AB4C12D21 -209.96 2.01 -9.36 0.67 0
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27982 824648 1 BrNOH6C9 ABCD6E9 6.78 5.15 -8.7 -1.08 0
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27983 824655 1 NO3C9H11 AB3C9D11 -109.67 5.76 -9.32 -0.6 0
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27984 824656 1 NO4C19H19 AB4C19D19 -112.82 3.15 -8.87 -0.02 0
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27985 824657 1 NO4C19H19 AB4C19D19 -112.47 4.5 -9.0 -0.11 0
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27986 824658 1 NO4C19H19 AB4C19D19 -111.89 3.48 -8.91 -0.02 0
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27987 824659 1 BrNO2C9H12 ABC2D9E12 -61.46 2.46 -9.14 -0.18 0
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27988 824660 1 Cl2N2C9H12 A2B2C9D12 -2.68 0.68 -10.07 -0.84 0
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27989 824663 1 N2O2C9H14 A2B2C9D14 -91.52 2.18 -9.42 -0.53 0
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27990 824664 1 NO2C16H23 AB2C16D23 -75.58 4.11 -8.21 0.24 0
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27991 824665 1 N2O2C9H14 A2B2C9D14 -102.64 5.14 -9.88 -0.32 0
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27992 824666 1 BrON2H7C10 ABC2D7E10 13.1 4.33 -9.74 -1.42 0
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27993 824667 1 ClN2H7C10 AB2C7D10 66.49 1.2 -9.58 -1.11 0
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27994 824669 2 BrNH4C5 ABC4D5 65.2 2.09 -9.28 -0.56 0
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27995 824681 1 O4C15H20 A4B15C20 -160.09 5.0 -8.45 -0.01 0
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27996 824696 1 ClO2N4H9C11 AB2C4D9E11 -40.94 4.86 -8.95 -0.93 0
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27997 824699 1 ON2H22C23 AB2C22D23 17.45 7.73 -9.07 -0.78 0
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27998 824703 1 ClNOH10C11 ABCD10E11 -10.61 1.1 -9.1 -0.88 0
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27999 824720 1 OSN2C11H18 ABC2D11E18 -42.95 5.27 -8.91 0.15 0
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28000 824740 1 N2O2C21H26 A2B2C21D26 -55.05 4.28 -8.23 0.17 0
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28001 824751 1 ON3C22H23 AB3C22D23 10.59 7.55 -8.61 -0.77 0
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28002 824758 1 O3H14C15 A3B14C15 -86.05 6.25 -9.65 -0.28 0
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28003 824781 1 O3C17H18 A3B17C18 -94.16 1.61 -9.44 -0.02 0
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28004 824783 2 NOH8C9 ABC8D9 17.31 2.59 -9.04 -0.99 0
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28005 824792 1 ON3H13C17 AB3C13D17 78.62 7.14 -9.06 -0.88 0
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28006 824797 1 N3O3H5C8 A3B3C5D8 12.98 4.13 -10.07 -2.18 0
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28007 824802 2 NOH9C10 ABC9D10 7.96 4.33 -8.86 -1.02 0
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28008 824807 1 ON3H11C13 AB3C11D13 35.69 2.81 -9.31 -0.91 0
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28009 824818 1 ClN3H8C10 AB3C8D10 63.69 2.85 -8.84 -0.99 0
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28010 824826 1 NO2C18H19 AB2C18D19 -43.54 1.82 -8.95 0.06 0
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28011 824832 1 NO2H17C18 AB2C17D18 1.2 3.03 -8.86 0.14 0
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28012 824841 1 O2C17H20 A2B17C20 -43.79 2.04 -9.26 0.45 0
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28013 824851 1 NO3C13H21 AB3C13D21 -147.23 3.62 -9.79 0.45 0
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28014 824854 1 O2C19H24 A2B19C24 -93.92 1.61 -9.3 0.44 0
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28015 824857 1 O2C15H24 A2B15C24 -117.68 6.87 -9.59 0.22 0
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28016 824871 1 N2O2S2H14C15 A2B2C2D14E15 -10.78 4.91 -9.43 -1.27 0
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28017 824881 1 NSO3H13C15 ABC3D13E15 -62.46 3.03 -9.14 -0.38 0
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28018 824885 1 N3O3C11H11 A3B3C11D11 17.44 10.08 -9.46 -0.79 0
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28019 824902 1 N2O3C19H20 A2B3C19D20 -77.05 3.25 -8.76 -0.45 0
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28020 824903 1 NO4C19H19 AB4C19D19 -118.54 2.01 -8.62 -0.59 0
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28021 824919 1 ClNO2H12C16 ABC2D12E16 -31.11 7.1 -8.93 -0.56 0
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28022 824929 1 OSN4C17H20 ABC4D17E20 43.71 5.3 -8.65 -1.01 0
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28023 824945 1 NSO3H11C12 ABC3D11E12 -93.04 4.53 -8.72 -1.12 0
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28024 824947 1 NO2C15H23 AB2C15D23 -83.74 4.05 -8.73 0.26 0
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28025 824970 1 N2O3C13H14 A2B3C13D14 -82.57 3.72 -8.81 -0.25 0
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28026 825074 1 ClNO2H12C16 ABC2D12E16 -33.24 5.37 -9.41 -1.14 0
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28027 825085 1 ClN3H12C14 AB3C12D14 78.91 6.2 -8.73 -0.74 0
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28028 825151 1 SN4C7H8 AB4C7D8 45.28 1.41 -8.09 -0.4 0
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28029 825155 1 NO4H15C19 AB4C15D19 -104.51 9.9 -9.03 -1.16 0
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28030 825156 1 NO4H15C19 AB4C15D19 -104.49 9.9 -9.03 -1.16 0
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28031 825166 1 ClSN2O3H11C16 ABC2D3E11F16 -52.55 7.75 -9.22 -2.2 0
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28032 825167 1 O4H12C17 A4B12C17 -102.51 9.56 -9.49 -1.22 0
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28033 825208 1 NO3C12H13 AB3C12D13 -95.97 5.39 -8.89 -0.48 0
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28034 825209 1 NO3Cl4H5C10 AB3C4D5E10 -110.6 4.72 -9.74 -1.94 1
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28035 825221 1 ClO2N3C18H19 AB2C3D18E19 -16.04 7.72 0.0 0.0 0
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28036 825225 1 O3N5H11C17 A3B5C11D17 29.99 6.46 -9.54 -1.02 0
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28037 825230 1 O2S3H14C15 A2B3C14D15 -3.92 3.23 -8.44 -1.1 0
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28038 825240 1 ON2S2H8C12 AB2C2D8E12 34.59 0.2 -8.94 -0.96 0
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28039 825247 1 SO2N3H15C17 AB2C3D15E17 65.99 1.29 -8.92 -0.54 0
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28040 825248 1 O2N5H13C19 A2B5C13D19 125.52 10.82 -9.02 -1.72 0
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28041 825253 1 O2S2N3H13C15 A2B2C3D13E15 86.24 2.49 -8.82 -0.84 0
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28042 825266 1 S2N3H13C18 A2B3C13D18 105.9 1.94 -8.71 -0.82 0
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28043 825290 1 NO2S2H7C10 AB2C2D7E10 -13.83 3.47 -9.19 -1.88 0
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28044 825296 1 NO4C12H15 AB4C12D15 -154.78 6.11 -8.56 -0.12 0
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28045 825307 1 NO2H15C16 AB2C15D16 -35.91 2.39 -8.84 -0.52 0
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28046 825308 1 BrN2O2C13H17 AB2C2D13E17 -91.29 2.99 -9.15 -0.75 0
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28047 825309 1 BrN2O2C13H17 AB2C2D13E17 -91.21 3.18 -9.15 -0.77 0