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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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311992 126600661 1 NO5C19H25 AB5C19D25 -194.31 4.62 -9.02 -0.08 0
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311993 126600674 1 ClFO2N5C19H23 ABC2D5E19F23 -95.65 7.56 -9.1 -0.85 0
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311994 126600704 2 NO2C8H10 AB2C8D10 -93.83 4.96 -9.44 -1.32 0
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311995 126600711 2 NO2C9H13 AB2C9D13 -175.74 4.75 -8.66 -0.66 0
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311996 126600712 1 ClN2O4C17H25 AB2C4D17E25 -197.24 3.13 -9.12 -1.04 0
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311997 126600713 1 N2O4C17H24 A2B4C17D24 -160.7 1.21 -8.59 -0.55 0
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311998 126600714 1 SF3N4O5H13C15 AB3C4D5E13F15 -258.9 5.56 -9.85 -1.99 0
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311999 126600715 1 O2F3N5C20H22 A2B3C5D20E22 -171.32 4.23 -8.9 -0.83 0
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312000 126600716 1 N2O3C15H20 A2B3C15D20 -91.35 1.45 -8.68 -0.79 0
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312001 126600717 1 ClSN4O6C28H33 ABC4D6E28F33 -207.73 7.58 -8.61 -0.77 0
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312002 126600719 1 NSF3O6C13H14 ABC3D6E13F14 -373.62 2.16 -9.86 -1.83 0
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312003 126600722 1 FO3N4C21H25 AB3C4D21E25 -129.13 1.91 -8.71 -0.66 0
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312004 126600740 1 ClSN5O6C17H26 ABC5D6E17F26 -249.19 6.94 -9.5 -1.0 0
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312005 126600741 1 ClFN9C23H31 ABC9D23E31 38.36 5.09 -8.18 -0.62 0
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312006 126600742 1 FCl2N10C21H29 AB2C10D21E29 27.93 5.65 -8.8 -0.93 0
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312007 126600760 1 N7O10H47C50 A7B10C47D50 -247.8 9.33 -8.49 -1.61 0
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312008 126600767 1 N7O12H53C55 A7B12C53D55 -328.21 5.13 -8.55 -1.48 1
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312009 126600775 1 N8O9C48H53 A8B9C48D53 -223.77 17.45 0.0 0.0 0
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312010 126600801 2 NO4C7H8 AB4C7D8 -226.15 7.76 -9.54 -1.71 0
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312011 126600902 1 NO3C12H13 AB3C12D13 -84.72 0.37 -9.81 -0.96 0
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312012 126600903 1 F3O4N5H20C24 A3B4C5D20E24 -130.83 1.14 -9.18 -1.33 0
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312013 126600937 1 OH4C6F10 AB4C6D10 -557.61 0.94 -12.86 -0.57 0
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312014 126600947 2 NCl2O4H8C13 AB2C4D8E13 -242.02 10.2 -9.59 -1.86 0
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312015 126601009 1 ON2C11H14 AB2C11D14 24.27 4.37 -8.51 0.05 0
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312016 126601251 1 O2C19H34 A2B19C34 -158.22 4.86 -10.35 0.62 0
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312017 126601367 1 N2O4H22C25 A2B4C22D25 -52.74 5.76 -8.95 -0.9 0
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312018 126601893 1 BrN2O4C24H31 AB2C4D24E31 -168.93 3.76 -8.38 -0.07 0
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312019 126601895 1 NF2O5C37H39 AB2C5D37E39 -261.91 7.76 -8.73 -0.26 0
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312020 126601916 1 NF2O5C33H37 AB2C5D33E37 -295.14 6.19 -8.68 -0.31 0
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312021 126601925 1 NF2O5C33H37 AB2C5D33E37 -295.12 6.17 -8.68 -0.31 0
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312022 126601938 1 ClFNO4C27H29 ABCD4E27F29 -192.04 5.32 -8.89 -0.57 0
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312023 126601954 1 ClIN2O4C39H42 ABC2D4E39F42 -130.08 9.33 -8.62 -0.92 0
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312024 126601965 1 BrNO5C22H24 ABC5D22E24 -171.27 6.32 -8.84 -0.96 0
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312025 126601966 1 FNO6C36H38 ABC6D36E38 -244.75 6.59 -8.75 -0.56 0
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312026 126601969 1 BrNO5C32H42 ABC5D32E42 -210.58 3.89 -8.36 -0.52 0
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312027 126601970 1 NF2O5C36H37 AB2C5D36E37 -255.11 4.52 -8.65 -0.45 0
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312028 126601973 1 BrNO5C25H32 ABC5D25E32 -209.61 3.84 -8.51 -0.54 0
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312029 126601975 1 N2O3C32H40 A2B3C32D40 -121.04 2.58 -8.95 -0.12 0
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312030 126601978 1 N2O3C32H40 A2B3C32D40 -121.07 2.55 -8.96 -0.11 0
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312031 126601981 1 FN3O5C46H56 AB3C5D46E56 -222.92 6.85 -8.42 -0.39 0
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312032 126602005 1 SN2O4C23H30 AB2C4D23E30 -138.53 3.45 -8.21 -0.14 0
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312033 126602125 1 O2N3H19C25 A2B3C19D25 68.76 4.03 -8.44 -1.12 0
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312034 126602126 1 O2N3C13H13 A2B3C13D13 39.05 3.63 -9.4 -0.37 0
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312035 126602127 1 SN4O6C24H32 AB4C6D24E32 -244.84 3.7 -9.38 -0.9 0
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312036 126602128 1 OSN3C17H21 ABC3D17E21 -2.2 2.42 -8.36 -0.56 0
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312037 126602130 1 OSN3C17H21 ABC3D17E21 9.41 4.53 -8.65 -0.33 0
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312038 126602131 1 SN2O5C18H28 AB2C5D18E28 -231.91 4.39 -9.34 -0.65 0
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312039 126602132 1 OSN3C17H21 ABC3D17E21 2.62 4.75 -8.7 -0.24 0
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312040 126602135 1 O5C12H14 A5B12C14 -191.09 5.05 -9.74 -0.09 0
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312041 126602137 1 SN5O9C36H61 AB5C9D36E61 -378.62 11.43 -9.34 -0.92 0