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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
195895 78745790 1 FN2O5H15C20 AB2C5D15E20 -59.58 2.53 -9.38 -1.73 0
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195896 78745791 1 SN3O4C16H17 AB3C4D16E17 -85.3 5.1 -8.8 -0.96 0
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195897 78745792 1 SCl2N2O3H14C17 AB2C2D3E14F17 -71.53 2.24 -9.08 -1.12 0
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195898 78745793 1 ClSN3O4H12C13 ABC3D4E12F13 -62.21 3.15 -9.23 -1.8 0
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195899 78745794 1 ClSO2N4C19H25 ABC2D4E19F25 -46.27 6.46 -8.75 -0.98 0
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195900 78745795 1 ClSN3O3C18H18 ABC3D3E18F18 -70.85 4.59 -8.56 -1.6 0
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195901 78746360 1 ClOS2N3H8C17 ABC2D3E8F17 110.49 7.36 -9.4 -1.91 0
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195902 78746387 1 OS2N3H13C19 AB2C3D13E19 96.36 6.3 -9.34 -1.69 0
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195903 78746950 2 NOSC10H12 ABCD10E12 -44.73 3.67 -8.55 -0.17 0
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195904 78746951 1 ClNO5C22H22 ABC5D22E22 -174.24 8.4 -9.33 -1.14 1
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195905 78747402 1 S2N3C19H26 A2B3C19D26 53.33 4.6 0.0 0.0 0
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195906 78747457 1 O3N4C21H24 A3B4C21D24 -72.49 6.85 -9.96 -1.5 0
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195907 78747458 1 SN2C17H24 AB2C17D24 6.31 5.41 -8.04 0.17 0
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195908 78747625 1 ON2S2C23H26 AB2C2D23E26 31.75 4.36 -8.25 -0.32 1
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195909 78747679 1 ClSN3C18H23 ABC3D18E23 59.65 4.62 0.0 0.0 0
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195910 78747802 1 F2N2O5H16C20 A2B2C5D16E20 -227.43 2.55 -8.97 -1.39 0
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195911 78747916 1 SN4C22H26 AB4C22D26 82.96 8.26 -8.22 0.21 0
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195912 78748546 1 N3O4C21H27 A3B4C21D27 -146.44 2.9 -9.24 -0.98 0
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195913 78748547 1 N2O5H18C20 A2B5C18D20 -127.5 4.68 -9.29 -1.03 0
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195914 78748657 1 NSO5C22H23 ABC5D22E23 -151.11 3.85 -8.75 -0.8 0
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195915 78748658 1 FNO5H18C19 ABC5D18E19 -199.78 4.28 -8.8 -1.19 0
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195916 78748659 1 NO5H23C25 AB5C23D25 -126.76 2.92 -8.82 -1.05 0
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195917 78748660 1 ClO5H15C18 AB5C15D18 -141.79 2.28 -8.8 -0.91 0
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195918 78748881 1 FN2O5H13C17 AB2C5D13E17 -117.55 8.97 -9.73 -1.56 0
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195919 78748882 1 FN2O6H15C18 AB2C6D15E18 -154.09 8.64 -9.28 -1.49 0
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195920 78748991 1 ClFSN2O3H16C19 ABCD2E3F16G19 -108.59 2.49 -9.14 -1.19 0
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195921 78748992 1 ClFNO3H19C20 ABCD3E19F20 -140.99 3.79 -9.33 -1.07 0
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195922 78748993 1 N3O5C23H33 A3B5C23D33 -225.73 4.99 -8.95 -0.32 0
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195923 78749105 1 ClO4H17C18 AB4C17D18 -115.54 1.04 -9.1 -0.81 0
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195924 78749701 1 NS2O5C16H17 AB2C5D16E17 -146.38 8.55 -9.24 -1.43 0
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195925 78749702 1 NO6C22H25 AB6C22D25 -199.23 8.37 -8.46 -0.88 0
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195926 78749703 1 FNO5C21H22 ABC5D21E22 -210.32 6.87 -8.76 -0.92 0
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195927 78749704 1 N2S2O6C17H22 A2B2C6D17E22 -245.4 9.06 -9.63 -1.24 0
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195928 78749928 1 NSO3C17H21 ABC3D17E21 -127.27 6.41 -8.84 -1.2 0
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195929 78749967 1 FO5H17C19 AB5C17D19 -175.73 3.12 -8.52 -0.87 0
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195930 78750189 1 S2N3O3H17C18 A2B3C3D17E18 -21.95 3.45 -9.15 -1.81 0
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195931 78750632 1 N2O3C25H26 A2B3C25D26 -60.61 8.52 -8.7 0.01 0
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195932 78750643 1 N2F3O3C19H19 A2B3C3D19E19 -217.97 7.7 -9.12 -0.61 0
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195933 78751305 1 NF2O6H17C20 AB2C6D17E20 -266.21 7.72 -8.99 -1.16 0
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195934 78751306 1 NO7C21H21 AB7C21D21 -210.65 8.35 -8.35 -1.21 0
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195935 78751307 1 ClNO6H20C21 ABC6D20E21 -183.42 6.03 -8.83 -1.16 0
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195936 78751308 1 NF2O6H17C20 AB2C6D17E20 -261.95 7.18 -8.96 -1.08 0
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195937 78751309 1 NO7C22H23 AB7C22D23 -216.4 6.95 -8.36 -1.19 0
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195938 78751310 1 N2O6H18C21 A2B6C18D21 -143.13 7.94 -9.02 -1.27 0
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195939 78751311 1 NO8H19C21 AB8C19D21 -235.85 5.9 -8.41 -1.21 0
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195940 78751343 1 NO6C20H25 AB6C20D25 -211.46 2.12 -8.58 -0.68 0
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195941 78751748 1 ClFN2O3H12C18 ABC2D3E12F18 -68.77 5.48 -9.22 -1.39 0
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195942 78752097 1 Cl2N2O5H16C18 A2B2C5D16E18 -183.86 5.09 -9.48 -1.21 0
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195943 78752098 1 N2O5C20H22 A2B5C20D22 -178.9 4.73 -8.71 -1.01 0
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195944 78752099 1 NF2O6H17C19 AB2C6D17E19 -300.42 1.64 -9.82 -0.96 1