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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39853 8142575 1 N3O5C17H19 A3B5C17D19 -179.17 8.99 -9.24 -0.87 0
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39854 8142577 1 Cl2N2O2H12C15 A2B2C2D12E15 -41.39 3.61 -8.45 -0.36 0
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39855 8142579 1 NO6C24H31 AB6C24D31 -257.43 3.82 -8.72 0.16 0
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39856 8142580 1 NO6C24H31 AB6C24D31 -246.31 3.89 -8.84 -0.03 0
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39857 8142582 1 ON2S2C20H24 AB2C2D20E24 0.52 7.85 -8.23 -1.24 0
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39858 8142583 1 SN4O4H16C20 AB4C4D16E20 -85.27 8.77 -9.1 -1.64 1
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39859 8142586 1 ON4C23H29 AB4C23D29 37.65 4.36 0.0 0.0 0
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39860 8142587 1 ON4C23H28 AB4C23D28 19.32 2.42 -8.3 -0.01 0
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39861 8142588 2 ClNC6H6 ABC6D6 19.48 4.15 -8.91 -0.82 1
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39862 8142589 1 OSN3C21H24 ABC3D21E24 42.81 13.49 0.0 0.0 0
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39863 8142590 1 OSN3C21H23 ABC3D21E23 31.47 2.53 -8.85 -0.57 1
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39864 8142593 1 O2N4C22H31 A2B4C22D31 -20.27 3.46 0.0 0.0 0
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39865 8142596 1 O2S2N3C18H29 A2B2C3D18E29 -89.46 6.52 -8.12 -0.32 0
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39866 8142599 1 N2O5C14H16 A2B5C14D16 -162.65 2.24 -9.6 -0.23 0
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39867 8142602 1 O2N3C13H19 A2B3C13D19 -56.26 2.73 -9.15 0.28 1
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39868 8142603 1 NO3C20H22 AB3C20D22 -63.14 1.91 0.0 0.0 1
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39869 8142605 1 FSN3O3C21H27 ABC3D3E21F27 -108.89 5.17 0.0 0.0 0
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39870 8142612 1 N2O3C20H30 A2B3C20D30 -103.13 5.55 -8.71 -0.42 2
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39871 8142623 1 FO2N4C23H31 AB2C4D23E31 -84.74 1.62 -8.42 -0.09 0
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39872 8142630 2 ON2C10H11 AB2C10D11 -32.04 1.62 -9.07 -0.84 0
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39873 8142631 2 N2O3C10H11 A2B3C10D11 -158.07 6.44 -9.52 -0.56 1
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39874 8142632 1 O3N4C23H31 A3B4C23D31 -84.1 6.13 0.0 0.0 0
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39875 8142646 1 ClN3O3C21H26 AB3C3D21E26 -93.94 6.69 -8.73 -0.39 1
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39876 8142648 1 OSN3C21H26 ABC3D21E26 34.74 3.56 0.0 0.0 0
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39877 8142664 1 SN3O3C23H31 AB3C3D23E31 -98.23 4.0 -8.97 -0.52 0
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39878 8142666 1 FSN3O3C21H26 ABC3D3E21F26 -126.67 2.34 -9.03 -0.95 0
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39879 8142672 1 O2N3C22H29 A2B3C22D29 -34.48 4.51 -8.65 0.18 1
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39880 8142673 1 O2N3C21H28 A2B3C21D28 -22.82 5.06 0.0 0.0 1
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39881 8142675 1 ClON3C21H27 ABC3D21E27 9.28 7.5 0.0 0.0 1
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39882 8142691 1 ON5C19H26 AB5C19D26 38.17 2.67 0.0 0.0 0
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39883 8142703 1 OSN3C20H23 ABC3D20E23 19.8 4.87 -8.58 -0.36 1
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39884 8142724 1 N3C10H16 A3B10C16 24.5 1.36 0.0 0.0 1
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39885 8142744 1 N2O3C14H21 A2B3C14D21 -108.07 4.88 0.0 0.0 0
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39886 8142745 1 N2O3C14H20 A2B3C14D20 -119.35 4.11 -9.22 0.18 1
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39887 8142753 1 O2N3C22H30 A2B3C22D30 -43.34 5.23 0.0 0.0 0
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39888 8142758 1 SN3O3C22H31 AB3C3D22E31 -100.22 8.13 -9.19 -0.48 0
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39889 8143146 1 ClON3C20H22 ABC3D20E22 4.57 8.4 -9.06 -0.47 1
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39890 8143147 1 O2N4C23H27 A2B4C23D27 -10.5 9.4 0.0 0.0 0
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39891 8143148 1 O2N4C23H26 A2B4C23D26 -23.54 7.68 -8.86 -0.46 1
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39892 8143149 1 ON3C21H26 AB3C21D26 20.7 8.58 0.0 0.0 0
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39893 8143150 1 ON3C21H25 AB3C21D25 4.97 7.73 -9.0 -0.41 1
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39894 8143157 1 ClON4C23H24 ABC4D23E24 48.51 5.11 0.0 0.0 1
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39895 8143159 1 ON4C21H23 AB4C21D23 66.04 8.31 0.0 0.0 0
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39896 8143160 1 ON4C21H22 AB4C21D22 43.24 3.66 -9.3 -0.75 1
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39897 8143161 1 O2N4C22H33 A2B4C22D33 -56.61 8.22 0.0 0.0 0
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39898 8143162 2 ON2C11H16 AB2C11D16 -72.11 6.07 -9.13 -0.61 0
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39899 8143163 1 NS2O4C12H13 AB2C4D12E13 -135.93 2.92 -8.97 -0.77 1
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39900 8143164 1 O3N5C22H26 A3B5C22D26 -54.7 11.7 0.0 0.0 0
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39901 8143166 1 Cl2O3H18C21 A2B3C18D21 -102.54 2.74 -8.76 -0.31 0
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39902 8143173 1 PCl2N3C20H32 AB2C3D20E32 -67.3 9.27 -7.55 0.55 1