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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393933 135021999 1 NO2C11H15 AB2C11D15 -86.64 7.47 -10.87 0.81 0
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393934 135022009 1 ClO3H15C17 AB3C15D17 -68.52 2.28 -8.9 -0.71 0
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393935 135022015 1 SiO4C21H36 AB4C21D36 -241.47 8.13 -8.58 -0.33 0
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393936 135022017 1 OS2H22C23 AB2C22D23 35.75 2.1 -8.68 -0.36 0
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393937 135022018 1 ON3C15H15 AB3C15D15 49.26 5.03 -9.24 -0.55 0
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393938 135022019 1 NSiO5C23H37 ABC5D23E37 -272.49 1.94 -8.83 -0.25 0
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393939 135022020 1 OC15H20 AB15C20 -22.36 0.78 -9.06 0.25 0
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393941 135022023 1 SiO5C26H34 AB5C26D34 -224.63 2.35 -8.95 0.14 0
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393942 135022024 1 O3C15H20 A3B15C20 -126.15 4.26 -9.83 -0.31 -1
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393943 135022032 1 SO2N4C13H13 AB2C4D13E13 49.22 7.52 0.0 0.0 0
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393944 135022033 1 SO2N4C13H14 AB2C4D13E14 36.64 5.81 -8.66 -0.78 -1
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393945 135022034 1 SO2N4H15C17 AB2C4D15E17 63.36 8.11 0.0 0.0 0
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393946 135022035 1 SO2N4H16C17 AB2C4D16E17 53.3 5.31 -8.63 -0.7 -1
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393947 135022036 1 CH2N3 AB2C3 90.33 2.33 0.0 0.0 0
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393949 135022038 1 ClNO3H16C18 ABC3D16E18 -87.54 3.65 -9.69 -0.44 0
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393950 135022039 1 NO4C16H19 AB4C16D19 -139.55 3.8 -9.41 0.13 0
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393951 135022040 1 BrO3C20H23 AB3C20D23 -86.84 4.16 -9.52 -0.12 0
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393952 135022041 1 OC15H20 AB15C20 -22.17 2.65 -9.36 0.38 0
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393953 135022042 1 O2C13H22 A2B13C22 -82.91 2.39 -9.53 0.4 0
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393954 135022043 1 SiO3C22H40 AB3C22D40 -187.72 2.19 -8.76 -0.09 0
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393955 135022044 1 O3C23H26 A3B23C26 -73.27 3.7 -8.3 -0.07 0
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393956 135022045 2 C9H10 A9B10 27.8 1.06 -8.85 0.49 0
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393957 135022046 1 N2O3C16H18 A2B3C16D18 -63.16 5.16 -9.48 -0.67 0
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393958 135022048 1 NH37C52 AB37C52 215.58 1.65 -8.6 -0.56 0
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393959 135022049 1 O3C11H22 A3B11C22 -159.71 4.08 -10.21 0.67 0
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393960 135022053 1 N2O2C15H16 A2B2C15D16 5.42 2.05 -8.62 -0.63 0
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393961 135022055 1 FOH17C19 ABC17D19 -35.93 2.11 -9.52 -0.55 0
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393962 135022056 1 FOH17C19 ABC17D19 -35.94 2.8 -9.51 -0.5 0
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393963 135022057 1 FC23H25 AB23C25 -11.24 2.95 -8.62 0.07 0
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393964 135022058 1 FC23H25 AB23C25 -10.99 2.6 -8.65 0.03 0
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393965 135022059 1 FC23H25 AB23C25 -9.31 2.73 -8.75 0.08 0
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393966 135022060 1 FC23H25 AB23C25 -9.67 2.53 -8.78 0.05 0
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393967 135022061 1 FC23H25 AB23C25 -10.33 3.53 -8.68 0.17 0
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393968 135022062 1 ClO2N3C15H16 AB2C3D15E16 37.1 6.52 -9.07 -1.24 0
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393969 135022063 1 NO2C18H19 AB2C18D19 -16.5 4.2 -8.58 -0.41 0
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393970 135022073 1 NO5C19H25 AB5C19D25 -186.94 4.33 -9.83 -0.75 0
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393971 135022074 1 NO5C17H17 AB5C17D17 -161.1 8.19 -9.78 -0.88 0
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393972 135022075 1 NO5C17H17 AB5C17D17 -161.7 7.23 -10.01 -0.72 0
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393973 135022076 1 NOC19H21 ABC19D21 20.18 3.86 -9.02 0.11 0
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393975 135022078 1 O3C10H16 A3B10C16 -141.43 5.04 -10.33 -0.28 0
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393976 135022079 1 N2O4H22C31 A2B4C22D31 594.86 40.74 -5.88 -3.81 0
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393977 135022080 2 N2O2C19H22 A2B2C19D22 224.26 13.95 -7.07 -2.77 0
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393978 135022081 1 ClNOSH12C17 ABCDE12F17 53.55 4.22 -8.54 -0.52 0
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393979 135022082 1 S2C25H26 A2B25C26 56.73 3.68 -8.32 -0.18 0
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393980 135022083 1 SiO3C22H42 AB3C22D42 -214.92 2.8 -8.86 0.19 0
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393981 135022084 1 O3C19H20 A3B19C20 -67.31 2.67 -8.23 -0.26 0
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393983 135022086 1 NO3C16H21 AB3C16D21 -33.03 4.7 -9.11 -0.25 0
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393984 135022087 1 NO3C16H21 AB3C16D21 -112.11 7.37 -10.38 0.15 0
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393985 135022088 1 NO5C17H27 AB5C17D27 -229.16 6.22 -9.85 0.88 0
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393986 135022089 1 O10C15H26 A10B15C26 -360.19 5.42 -9.94 -0.37 0