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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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182002 76825877 1 FN6O15C61H75 AB6C15D61E75 -494.91 4.82 -7.19 -1.23 0
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182003 76826152 2 SO2N3C13H19 AB2C3D13E19 -120.71 5.13 -8.59 -0.34 0
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182004 76827717 1 ON6C23H26 AB6C23D26 85.71 6.96 -8.24 -1.41 0
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182005 76827718 1 O2N5C29H41 A2B5C29D41 -20.7 7.23 -8.06 -1.22 0
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182006 76827719 1 O2N4C23H24 A2B4C23D24 34.29 7.19 -8.49 -1.51 0
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182007 76827729 1 ON4C22H26 AB4C22D26 34.74 3.76 -8.01 -1.22 0
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182008 76827730 2 ON2C11H14 AB2C11D14 -2.44 4.24 -8.06 -1.26 0
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182009 76827746 2 ON2C12H16 AB2C12D16 -18.01 10.26 -8.45 -1.54 0
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182010 76827860 1 O3N4C24H32 A3B4C24D32 -56.31 7.88 -8.2 -1.38 0
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182011 76827878 1 O2N4C23H30 A2B4C23D30 -7.62 4.0 -8.01 -1.19 0
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182012 76827997 1 SN2O6C25H30 AB2C6D25E30 -206.15 6.89 -9.01 -0.66 0
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182013 76827998 1 ClN2O6C26H27 AB2C6D26E27 -182.36 4.52 -8.86 -0.91 0
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182014 76827999 1 N3O5C27H31 A3B5C27D31 -119.6 4.37 -8.48 -0.51 0
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182015 76828000 1 N3O5C27H29 A3B5C27D29 -110.74 5.97 -8.79 -0.6 0
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182016 76828186 1 ClO2N4C9H13 AB2C4D9E13 -18.71 3.59 -8.64 -0.46 1
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182017 76828545 1 AgPF4 ABC4 -369.72 8.44 -8.55 -1.18 1
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182018 76828817 1 SN2O3C32H33 AB2C3D32E33 -6.11 10.65 0.0 0.0 0
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182019 76828992 1 ON7C20H23 AB7C20D23 92.33 6.27 -9.19 -1.57 0
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182020 76829247 2 ON4C9H10 AB4C9D10 80.35 3.9 -9.64 -2.02 0
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182021 76829321 1 SO2N4C20H24 AB2C4D20E24 29.99 10.6 -9.51 -0.93 0
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182022 76829509 1 ClO2N5C10H12 AB2C5D10E12 73.99 3.08 -8.93 -1.68 0
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182023 76829523 1 BrFO3N6C15H18 ABC3D6E15F18 -7.49 6.89 -8.89 -1.86 0
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182024 76830453 1 N5O6C25H35 A5B6C25D35 -223.23 4.35 -8.89 0.03 1
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182025 76830459 1 N5O6C35H50 A5B6C35D50 -205.3 7.57 0.0 0.0 0
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182026 76830460 1 N5O6C35H49 A5B6C35D49 -219.82 8.87 -8.74 0.12 0
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182027 76830911 1 ClO3C30H35 AB3C30D35 -117.71 1.83 -9.07 -0.48 0
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182028 76830947 1 N2O2C33H36 A2B2C33D36 151.32 5.04 -6.26 -1.17 0
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182029 76830948 1 ON3C27H33 AB3C27D33 65.65 6.04 -9.18 -0.78 0
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182030 76830949 1 FN2O2H17C24 AB2C2D17E24 -12.66 9.65 -8.38 -2.18 0
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182031 76831286 1 O3N4F5H19C20 A3B4C5D19E20 -281.99 5.34 -9.57 -1.57 0
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182032 76831308 1 F2N2O2C21H26 A2B2C2D21E26 -122.28 4.2 -9.37 -0.36 0
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182033 76831349 1 ClS2N3O4C19H22 AB2C3D4E19F22 -125.38 6.24 -9.43 -1.22 0
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182034 76831425 1 SO4N5C22H29 AB4C5D22E29 -106.69 3.61 -9.41 -0.56 0
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182035 76831491 1 SN2O4C19H32 AB2C4D19E32 -205.41 10.07 -9.62 0.1 -1
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182036 76832480 1 YS2H9C10 AB2C9D10 148.33 3.27 -5.75 -1.96 0
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182037 76832481 1 S2H22C29 A2B22C29 181.03 0.66 -8.65 -0.94 0
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182038 76832482 1 OS2H20C25 AB2C20D25 90.46 2.16 -8.96 -0.54 0
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182039 76832483 1 S2H18C25 A2B18C25 155.52 0.7 -8.67 -0.94 1
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182040 76832484 1 ORuN2C26H38 ABC2D26E38 117.17 9.53 -6.13 -2.4 -1
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182041 76832485 1 ClRuN2O2C31H39 ABC2D2E31F39 24.48 12.86 -7.14 -1.31 -1
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182043 76832487 1 ClNRuSC14H18 ABCDE14F18 56.2 16.4 -7.21 -2.48 0
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182044 76832499 1 RuN3C29H36 AB3C29D36 131.04 5.64 0.0 0.0 2
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182046 76832872 1 SO3N6C24H26 AB3C6D24E26 -39.23 4.78 -9.23 -1.13 0
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182047 76833317 1 SO4N5C22H29 AB4C5D22E29 -135.57 4.05 -9.22 -0.88 0
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182048 76833558 1 SF3O5N6C30H39 AB3C5D6E30F39 -356.2 4.81 -9.08 -0.83 0
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182049 76833559 1 NO3C6H11 AB3C6D11 -123.82 4.64 -9.93 0.63 0
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182050 76833560 1 SF2O3N5C21H25 AB2C3D5E21F25 -190.73 5.19 -9.28 -0.98 0
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182051 76833761 1 FN3O5C23H36 AB3C5D23E36 -263.5 2.61 -10.16 -0.68 0
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182052 76833762 1 NO4C25H41 AB4C25D41 -216.86 2.71 -9.31 0.3 0
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182053 76834020 1 FNO4C29H40 ABC4D29E40 -234.43 4.39 -8.9 -0.17 0