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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401874 135053150 1 NO3H11C17 AB3C11D17 -13.49 7.64 -9.54 -0.96 0
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401875 135053155 1 SO3H10C11 AB3C10D11 -81.57 3.67 -9.48 -0.7 0
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401876 135053179 4 OH5C6 AB5C6 -72.8 5.39 -8.2 -0.83 0
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401877 135053180 1 O4C17H22 A4B17C22 -110.52 4.92 -8.61 0.0 0
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401878 135053181 1 O4H18C19 A4B18C19 -60.8 5.71 -8.89 -0.61 0
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401879 135053187 1 ClN3H12C17 AB3C12D17 118.78 5.74 -9.22 -1.11 0
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401880 135053189 1 ON3H11C14 AB3C11D14 83.85 5.8 -9.21 -0.93 0
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401881 135053192 1 ClNPF6C11H11 ABCD6E11F11 -413.24 1.9 -8.69 -0.47 0
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401882 135053197 1 N2O3C26H28 A2B3C26D28 -46.33 2.3 -8.49 -0.28 0
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401883 135053201 1 NO2C17H17 AB2C17D17 -54.52 3.3 -8.83 -0.73 0
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401884 135053202 1 NO3C17H17 AB3C17D17 -83.15 3.01 -8.89 -0.76 0
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401885 135053203 1 NO5C14H15 AB5C14D15 -104.84 4.3 -10.54 -1.8 0
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401886 135053206 1 NO6C28H31 AB6C28D31 -157.14 2.9 -7.86 -0.22 0
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401887 135053207 1 SN2Cl4O8C22H24 AB2C4D8E22F24 48.83 14.64 -9.37 -3.25 0
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401888 135053213 1 O3C13H14 A3B13C14 -99.79 3.31 -9.22 -0.71 0
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401889 135053222 1 ClNO3H10C15 ABC3D10E15 8.97 5.66 -9.49 -1.31 0
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401890 135053225 1 SO4H20C23 AB4C20D23 -80.01 6.69 -9.14 -0.72 0
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401891 135053229 1 O5C22H34 A5B22C34 -236.51 4.15 -9.15 -0.86 0
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401892 135053232 1 SO2H10C17 AB2C10D17 0.49 3.63 -8.97 -1.16 0
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401893 135053244 1 NO5C13H13 AB5C13D13 -108.62 2.43 -10.41 -1.56 0
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401894 135053254 1 NO4H13C16 AB4C13D16 -19.94 5.9 -9.35 -0.89 0
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401895 135053261 1 NS3O5H17C22 AB3C5D17E22 -15.98 4.06 -8.12 -1.64 0
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401896 135053264 1 NCl2O4C12H15 AB2C4D12E15 33.8 15.81 -9.59 -2.25 0
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401897 135053265 1 SN2C12H16 AB2C12D16 59.89 2.74 -8.26 -0.3 0
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401898 135053267 1 NOSCl4H7C11 ABCD4E7F11 33.86 1.84 -8.76 -1.03 0
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401899 135053274 1 ClO2H15C19 AB2C15D19 -18.42 3.76 -9.6 -0.8 0
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401900 135053276 1 ClNO7H26C27 ABC7D26E27 -17.75 15.3 -8.26 -1.82 0
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401901 135053277 1 SO2C5H8 AB2C5D8 -62.55 3.73 -8.68 0.19 0
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401902 135053280 1 NO3C19H31 AB3C19D31 -147.2 9.29 -8.25 0.29 0
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401903 135053290 1 ClNO3S3H14C18 ABC3D3E14F18 -45.25 2.63 -7.62 -1.08 0
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401904 135053291 1 NOS2C17H17 ABC2D17E17 38.19 4.4 -8.78 -0.62 0
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401905 135053299 1 OSH18C19 ABC18D19 21.26 5.19 -8.87 -0.28 0
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401906 135053301 1 NOSH5C6 ABCD5E6 21.56 3.35 -9.08 -0.18 0
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401907 135053303 1 NS2O6H13C16 AB2C6D13E16 -74.73 6.01 -8.16 -1.78 0
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401908 135053306 1 NOPC26H26 ABCD26E26 20.9 13.24 -7.81 -0.66 0
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401909 135053310 1 CoPO4H36C43 ABC4D36E43 65.82 10.84 -8.96 -4.45 0
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401910 135053327 1 LiOSeH9C15 ABCD9E15 25.64 4.89 -7.99 -0.35 0
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401912 135053353 1 NOC20H25 ABC20D25 -5.29 1.42 -8.51 0.36 0
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401913 135053360 1 ClON3H8C15 ABC3D8E15 106.44 5.78 -9.17 -1.99 0
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401914 135053363 1 OSiC23H38 ABC23D38 -69.86 1.02 -9.17 0.28 0
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401915 135053364 1 OSiN2C24H42 ABC2D24E42 -123.07 6.5 -8.62 0.6 0
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401916 135053376 1 SeN2C15H17 AB2C15D17 86.16 2.88 0.0 0.0 0
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401918 135053383 1 O3C14H18 A3B14C18 -87.28 5.63 -9.69 -0.81 0
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401919 135053384 1 NOC17H21 ABC17D21 -16.7 4.37 -8.85 0.03 0
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401920 135053386 2 ON2C7H9 AB2C7D9 -0.97 8.29 -8.62 -0.81 0
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401921 135053388 1 SO5H12C18 AB5C12D18 -64.21 4.45 -8.68 -1.7 0
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401922 135053389 1 FOSN2H5C8 ABCD2E5F8 -0.5 2.43 -9.44 -1.28 0
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401923 135053390 1 FN2O6H17C18 AB2C6D17E18 -263.79 6.46 -9.57 -0.88 0
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401924 135053391 1 N2F3O6H17C19 A2B3C6D17E19 -379.32 7.52 -10.13 -1.01 0
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401925 135053394 1 ClNH14C20 ABC14D20 69.87 4.09 -9.03 -0.99 0
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401926 135053395 1 NOH19C21 ABC19D21 43.1 2.33 -8.64 0.05 0
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401927 135053396 1 N3O9H23C28 A3B9C23D28 -106.95 9.39 -9.58 -1.72 0
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401928 135053397 1 NSO3H19C21 ABC3D19E21 -48.43 6.57 -7.86 -0.77 0
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401929 135053400 1 NH19C21 AB19C21 74.95 3.24 -9.22 0.06 0
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401930 135053402 1 SN2Cl3O4C13H13 AB2C3D4E13F13 -165.53 7.38 -9.95 -1.24 0
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401931 135053404 1 OSiN2C19H24 ABC2D19E24 -30.67 3.51 -8.32 -0.26 0
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401932 135053406 1 NO2C23H23 AB2C23D23 -31.81 3.06 -8.3 -0.45 0
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401933 135053409 1 NO4H21C22 AB4C21D22 -87.75 3.73 -8.49 -0.51 0
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401934 135053412 1 BrNSiO2C22H30 ABCD2E22F30 -87.62 5.63 -9.03 -0.18 0
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401935 135053413 1 BrOSH9C14 ABCD9E14 18.69 3.4 -8.88 -1.33 0
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401936 135053417 2 NOC7H8 ABC7D8 -22.4 0.97 -8.82 -0.4 0
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401937 135053429 1 NH19C23 AB19C23 102.94 2.79 -8.19 0.16 0
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401938 135053430 1 FNOH8C15 ABCD8E15 8.54 5.11 -8.8 -1.42 0
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401939 135053440 1 SN2O3H26C30 AB2C3D26E30 3.41 5.83 -9.23 -0.22 0
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401940 135053441 1 NSO3C15H21 ABC3D15E21 -120.3 3.42 -9.71 -0.46 1
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401941 135053448 1 N2O2C19H23 A2B2C19D23 -29.87 2.79 0.0 0.0 0
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401942 135053455 1 N3O6C20H27 A3B6C20D27 -192.26 5.73 -9.0 -1.22 0
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401943 135053476 1 Si2Br3N4C21H41 A2B3C4D21E41 -135.5 1.41 -7.24 -0.52 0
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401944 135053483 1 BClSi2O3C18H38 ABC2D3E18F38 -351.36 3.01 -8.63 0.21 0
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401945 135053501 1 BFO2C15H20 ABC2D15E20 -196.55 4.03 -9.08 0.29 0
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401946 135053514 1 NOC18H21 ABC18D21 22.92 1.2 -7.92 0.42 0
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401947 135053529 1 NSO2C16H19 ABC2D16E19 -65.23 3.73 -8.43 -0.05 0
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401948 135053530 1 NSC10H11 ABC10D11 40.77 3.02 -8.3 -0.19 0
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401949 135053531 1 SiC13H16 AB13C16 40.03 0.68 -8.7 0.04 0
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401950 135053534 1 N2Se2O3H12C16 A2B2C3D12E16 39.42 4.52 -8.47 -1.9 2