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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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170927 75303043 1 IO2C15H21 AB2C15D21 -48.7 4.41 -8.72 -0.61 0
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170928 75303235 1 NOH21C22 ABC21D22 21.59 3.45 -8.8 -0.45 0
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170929 75303625 1 O5C26H36 A5B26C36 -178.74 2.2 -10.07 -0.24 0
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170930 75303626 1 SiO5C32H50 AB5C32D50 -258.64 1.89 -8.83 -0.15 0
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170931 75303627 1 ClN2O6C25H35 AB2C6D25E35 -243.87 2.14 -9.54 -0.68 0
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170932 75303628 1 SCl2O6N7C46H51 AB2C6D7E46F51 -116.25 14.68 -8.66 -0.89 0
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170933 75303629 1 O2N3F6H17C20 A2B3C6D17E20 -335.54 3.28 -9.15 -0.99 0
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170934 75303630 1 SO2N3F6H15C20 AB2C3D6E15F20 -310.42 2.92 -9.54 -1.57 0
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170935 75303631 2 FO3N4C20H24 AB3C4D20E24 -293.13 5.91 -8.95 -0.79 0
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170936 75303917 1 N3O3C25H33 A3B3C25D33 -106.14 3.31 -9.1 -0.54 0
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170937 75303934 1 FON6C21H23 ABC6D21E23 31.43 4.91 -8.68 -1.39 0
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170938 75303935 1 SF3O5N6C29H31 AB3C5D6E29F31 -198.26 9.66 -9.04 -1.46 0
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170939 75303936 1 SN5O6C26H31 AB5C6D26E31 -145.03 4.52 -9.33 -0.9 0
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170940 75304068 1 N4O7H20C24 A4B7C20D24 -67.59 9.7 -9.81 -2.05 0
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170941 75304069 4 NO2H5C6 AB2C5D6 -89.84 13.72 -9.84 -2.18 0
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170942 75304265 1 N5O5C30H31 A5B5C30D31 -141.25 5.05 -9.12 -0.9 0
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170943 75304817 1 BrN2O2H15C18 AB2C2D15E18 47.66 5.47 -9.14 -0.68 0
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170944 75304926 2 O2C7H7 A2B7C7 -142.27 4.78 -9.94 -0.65 0
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170945 75304927 1 Si2O4C25H40 A2B4C25D40 -265.72 4.5 -8.74 -0.69 0
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170946 75304938 1 S2F3O8C31H41 A2B3C8D31E41 -537.75 9.72 -8.87 -1.07 0
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170947 75304939 1 NSO2H17C19 ABC2D17E19 -19.72 1.54 -9.55 -0.92 0
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170948 75305046 1 Si2O6C33H48 A2B6C33D48 -318.44 5.01 -8.17 -0.41 0
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170949 75305315 1 F3O4N5H14C18 A3B4C5D14E18 -125.28 10.98 -9.91 -1.99 0
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170950 75305792 1 FSN2O2H19C21 ABC2D2E19F21 -31.26 6.6 -8.82 -0.76 0
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170951 75305852 1 N3O4C19H23 A3B4C19D23 -140.89 4.41 -9.11 -0.36 0
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170952 75306060 1 ClSO2N3C6H14 ABC2D3E6F14 -127.67 5.1 -8.61 -0.52 0
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170953 75306061 1 F3O3N4C19H21 A3B3C4D19E21 -228.77 3.94 -8.96 -0.35 0
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170954 75306065 1 O2N4F6H18C19 A2B4C6D18E19 -322.49 1.72 -9.24 -0.78 0
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170955 75306557 1 OBr2N2H6C12 AB2C2D6E12 53.09 2.54 -9.86 -1.91 0
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170956 75306621 1 ClN2C12H15 AB2C12D15 38.26 1.25 -9.14 -0.22 0
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170957 75306707 1 N2O4H16C19 A2B4C16D19 -79.36 6.81 -8.45 -0.78 -1
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170958 75307011 1 BP5N10O17C22H32 AB5C10D17E22F32 -857.09 4.83 -9.08 -0.6 0
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170959 75307039 1 SN5O9C41H49 AB5C9D41E49 -232.84 10.48 -7.7 -1.05 0
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170960 75307040 1 SN5O9C39H47 AB5C9D39E47 -257.45 4.74 -9.02 -0.93 0
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170961 75307041 1 SF2N4O9C39H44 AB2C4D9E39F44 -394.75 6.91 -9.13 -0.96 0
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170962 75307042 1 SN4O9C40H46 AB4C9D40E46 -288.91 1.24 -8.98 -0.73 0
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170963 75307043 1 N3O8C37H43 A3B8C37D43 -195.08 6.81 -8.78 -0.99 0
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170964 75307044 1 SN4O9C41H50 AB4C9D41E50 -225.59 10.32 -9.13 -0.98 0
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170965 75307045 1 O9N17C49H73 A9B17C49D73 -247.49 19.19 -8.36 -1.41 0
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170966 75307046 2 O5N9C25H37 A5B9C25D37 -266.81 26.85 -8.19 -1.82 0
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170967 75307047 1 NO4C18H21 AB4C18D21 -173.36 2.38 -9.62 0.08 0
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170968 75307048 1 NO4C21H27 AB4C21D27 -188.48 4.42 -9.4 0.31 0
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170969 75307049 1 NO4C26H27 AB4C26D27 -128.53 2.97 -9.31 -0.25 0
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170970 75307320 1 BFN3O5C34H39 ABC3D5E34F39 -260.48 4.28 -8.86 -0.87 0
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170971 75307325 1 N3O5C11H15 A3B5C11D15 -115.52 8.22 -8.9 -1.63 0
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170972 75307326 1 N3O5C13H17 A3B5C13D17 -95.93 7.97 -8.86 -1.68 0
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170973 75307327 1 N3O5C13H19 A3B5C13D19 -128.87 8.38 -8.82 -1.63 0
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170974 75307328 1 N3O5C16H17 A3B5C16D17 -84.34 7.9 -8.82 -1.9 0
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170975 75307481 1 NO4C63H117 AB4C63D117 -297.7 4.11 -8.54 1.23 0
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170976 75307482 1 NO4C64H119 AB4C64D119 -300.39 2.1 -8.61 1.21 0