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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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143939 53284522 1 NO3C22H29 AB3C22D29 -120.89 4.79 -8.7 0.21 0
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143940 53284523 1 NO3C22H23 AB3C22D23 -73.35 3.43 -8.47 -0.62 0
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143941 53284691 1 OCl2N2C17H24 AB2C2D17E24 -67.0 4.31 -8.73 -0.35 0
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143942 53284696 1 FOCl2N2C20H21 ABC2D2E20F21 -68.78 3.18 -8.76 -0.34 0
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143943 53285221 1 ClFSN2O3C18H20 ABCD2E3F18G20 -150.36 6.59 -8.92 -0.14 0
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143944 53285222 1 ClSN2O4C21H27 ABC2D4E21F27 -154.19 5.46 -8.79 -0.36 0
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143945 53285794 1 FSN2O3C20H23 ABC2D3E20F23 -131.9 4.35 -9.32 -0.91 0
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143946 53285795 1 SN2O4C21H26 AB2C4D21E26 -126.56 2.94 -9.09 -0.76 0
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143947 53285796 1 SN2O4C23H30 AB2C4D23E30 -141.86 1.84 -8.81 -0.73 0
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143948 53286517 1 SN2O4C21H28 AB2C4D21E28 -142.05 4.79 -8.87 0.06 0
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143949 53286518 1 SN2O3C23H30 AB2C3D23E30 -119.48 5.63 -9.04 0.04 0
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143950 53286554 1 SN2O5C17H22 AB2C5D17E22 -162.58 7.22 -8.96 -0.21 0
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143951 53286596 1 SN2O4C21H28 AB2C4D21E28 -151.34 7.39 -8.6 0.04 0
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143952 53286907 1 SN2F3O3C19H21 AB2C3D3E19F21 -257.75 6.47 -8.86 -0.86 0
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143953 53286936 1 FSN2O4C19H23 ABC2D4E19F23 -182.61 4.32 -8.71 -0.16 0
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143954 53287445 1 SCl2N3O4H19C22 AB2C3D4E19F22 -117.34 6.88 -9.22 -1.02 0
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143955 53287721 1 N2S2O3C23H32 A2B2C3D23E32 -124.26 5.39 -8.66 -0.38 0
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143956 53287838 1 ClSN2O3C22H29 ABC2D3E22F29 -132.87 7.28 -9.01 -0.41 0
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143957 53287914 1 SN2O3F4H16C17 AB2C3D4E16F17 -272.24 4.68 -9.28 -0.51 0
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143958 53287962 1 FSN2O4C16H19 ABC2D4E16F19 -162.68 6.57 -9.17 -0.21 0
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143959 53288138 1 FSN2O3C18H21 ABC2D3E18F21 -140.62 4.27 -8.46 -0.4 0
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143960 53288139 1 SF2N2O3C17H18 AB2C2D3E17F18 -180.05 8.68 -8.8 -0.45 0
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143961 53288140 1 FN2S2O3C17H27 AB2C2D3E17F27 -181.51 5.87 -8.77 -0.06 0
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143962 53288264 1 SN2O4C15H24 AB2C4D15E24 -174.51 9.26 -8.41 0.26 0
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143963 53288517 1 FSN2O4C19H23 ABC2D4E19F23 -172.67 4.79 -8.89 -0.32 0
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143964 53288518 1 FSN2O3C21H27 ABC2D3E21F27 -154.19 4.04 -8.91 -0.28 0
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143965 53288521 1 SN2O3C21H28 AB2C3D21E28 -113.51 2.08 -8.64 0.07 0
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143966 53288650 1 FNO2C19H22 ABC2D19E22 -108.02 2.65 -8.9 -0.08 0
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143967 53289123 2 NOC9H11 ABC9D11 -52.46 4.36 -8.87 -0.36 0
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143968 53289143 1 NO2C15H23 AB2C15D23 -103.46 3.57 -8.63 0.22 0
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143969 53289155 1 NO2C17H27 AB2C17D27 -116.96 2.86 -8.92 0.43 0
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143970 53289216 1 NSO4C17H21 ABC4D17E21 -124.47 9.28 -8.6 -0.42 0
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143971 53289262 1 ClN2O2C20H25 AB2C2D20E25 -66.5 3.34 -8.19 -0.08 0
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143972 53289436 1 ClFSN2O3C20H22 ABCD2E3F20G22 -141.1 5.95 -9.63 -0.49 0
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143973 53289437 1 ClSN2O4C21H25 ABC2D4E21F25 -139.23 9.87 -9.22 -0.21 0
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143974 53289438 1 ClSN3O4C24H30 ABC3D4E24F30 -142.02 2.83 -8.48 -0.29 1
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143975 53290178 1 SN4O7H25C29 AB4C7D25E29 -73.67 8.43 0.0 0.0 0
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143976 53290179 1 SN4O5H18C21 AB4C5D18E21 -61.29 7.02 -8.86 -1.66 1
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143977 53290204 1 SO5N6H15C22 AB5C6D15E22 28.85 5.37 0.0 0.0 0
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143978 53290642 1 SN4O5H22C28 AB4C5D22E28 3.22 4.86 -8.76 -1.42 1
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143979 53290643 1 SN4O5H23C28 AB4C5D23E28 -3.79 6.48 0.0 0.0 1
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143980 53291366 1 ClSN3O3H13C16 ABC3D3E13F16 -11.03 5.81 0.0 0.0 1
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143981 53291422 1 SN3O3H16C20 AB3C3D16E20 14.37 6.1 0.0 0.0 1
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143982 53291676 1 O4N6H23C26 A4B6C23D26 37.52 8.35 0.0 0.0 0
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143983 53291681 1 SN3O3C11H11 AB3C3D11E11 -31.44 4.99 -9.07 -0.98 1
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143984 53292050 1 SN3O5C13H14 AB3C5D13E14 -105.4 4.27 0.0 0.0 1
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143985 53292108 1 S2N4O4C24H27 A2B4C4D24E27 -48.36 9.38 0.0 0.0 1
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143986 53292430 1 BrFSN3O3H16C18 ABCD3E3F16G18 -52.81 6.94 0.0 0.0 1
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143987 53292448 1 S2N5O5H22C25 A2B5C5D22E25 -41.91 12.39 0.0 0.0 0
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143988 53292521 1 BrSN3O3C13H14 ABC3D3E13F14 -69.81 4.36 -9.3 -1.64 1
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143989 53292522 1 BrSN3O3C13H15 ABC3D3E13F15 -45.25 5.39 0.0 0.0 0
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143990 53292721 1 SN3O6H17C19 AB3C6D17E19 -127.4 14.27 -9.22 -1.68 1
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143991 53293742 1 SF3N3O4C13H13 AB3C3D4E13F13 -239.26 6.23 0.0 0.0 0
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143992 53294828 1 SO2F3N5H16C20 AB2C3D5E16F20 -69.97 4.04 -8.92 -1.6 0
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143993 53295458 1 FSO3N7H14C19 ABC3D7E14F19 15.94 8.18 -9.35 -1.5 1
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143994 53295887 1 SO3N5C16H18 AB3C5D16E18 13.81 11.49 0.0 0.0 0
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143995 53295888 1 SO3N5C17H19 AB3C5D17E19 16.24 5.08 -8.97 -1.02 1
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143996 53296037 1 SO5N6C18H21 AB5C6D18E21 -107.55 9.04 0.0 0.0 0
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143997 53296365 1 SCl2O3N7H11C18 AB2C3D7E11F18 55.04 8.84 -9.37 -1.77 1
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143998 53296366 1 SCl2O3N7H12C18 AB2C3D7E12F18 50.06 6.74 0.0 0.0 0
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143999 53296465 1 SO3N4H18C24 AB3C4D18E24 45.24 5.67 -8.26 -1.4 0
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144000 53296549 1 SN4O4H20C22 AB4C4D20E22 -26.09 10.61 -8.38 -1.24 0
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144001 53296785 1 FSO3N4H17C27 ABC3D4E17F27 18.87 2.48 -8.41 -1.4 0
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144002 53297031 1 BrSO4N6H23C25 ABC4D6E23F25 14.88 5.03 -8.98 -1.46 1
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144003 53297116 1 S2N7O7C30H30 A2B7C7D30E30 -108.17 5.19 0.0 0.0 0
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144004 53298199 2 SN2O2H10C11 AB2C2D10E11 -54.35 11.79 -8.15 -1.73 0
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144005 53298292 1 SO3N4C14H18 AB3C4D14E18 -84.28 5.95 -9.38 -0.86 0
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144006 53298566 1 O2H14C19 A2B14C19 46.13 0.62 -9.26 -0.55 0
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144007 53298788 2 NO6C20H27 AB6C20D27 -479.8 2.67 -8.17 -1.41 0
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144008 53298986 1 N4O4C15H20 A4B4C15D20 -89.51 3.58 -8.99 -0.9 0
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144009 53298987 1 ON3C15H19 AB3C15D19 -20.7 4.31 -8.7 0.06 0
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144010 53298998 1 SO4N6C15H16 AB4C6D15E16 -86.46 8.32 -9.77 -1.32 0
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144011 53299086 1 SO2N3C9H15 AB2C3D9E15 -58.82 8.58 -9.53 0.03 0
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144012 53299682 1 N4O4C33H42 A4B4C33D42 -132.16 13.99 -9.49 -0.31 0
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144013 53299704 2 N2O2C16H27 A2B2C16D27 -232.68 12.74 -9.57 -0.06 0
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144014 53300458 1 NSO4C19H19 ABC4D19E19 -118.96 2.77 -9.09 -0.54 0
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144015 53300459 1 NSO3C19H19 ABC3D19E19 -87.41 3.75 -9.16 -0.57 0
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144016 53300574 1 BrN2O2H17C21 AB2C2D17E21 -6.7 2.03 -8.86 -0.88 0
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144017 53300617 1 ClO4C18H19 AB4C18D19 -143.75 6.75 -9.34 -0.54 0
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144018 53301336 1 SO2N8C22H40 AB2C8D22E40 -7.58 8.9 -9.18 0.24 0
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144019 53301337 1 SO4N8C18H32 AB4C8D18E32 -63.03 7.0 -9.06 -0.02 0
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144020 53301338 1 SO6N8C20H32 AB6C8D20E32 -151.56 7.83 -9.4 -0.29 0
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144021 53301609 1 SN3O5C28H39 AB3C5D28E39 -190.98 6.95 -9.09 -0.44 0
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144022 53301785 1 N4O4C27H44 A4B4C27D44 -208.17 12.5 -9.3 -0.39 0
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144023 53301805 1 N4O4C33H42 A4B4C33D42 -131.2 12.6 -9.66 -0.27 0
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144024 53301806 2 N2O2C17H22 A2B2C17D22 -147.81 8.8 -9.37 -0.18 0
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144025 53301807 1 N4O4C33H36 A4B4C33D36 -82.39 13.69 -9.37 -0.38 0
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144026 53302232 1 BrNOC9H10 ABCD9E10 -21.52 2.49 -8.88 -0.24 0
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144027 53302353 1 SO2N3C12H19 AB2C3D12E19 -64.16 6.36 -8.5 0.35 0
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144028 53302394 1 ClNSF2O3H12C20 ABCD2E3F12G20 -132.83 3.87 -9.21 -1.36 0
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144029 53302395 1 NSF2O3H15C21 ABC2D3E15F21 -141.8 5.51 -9.1 -1.13 0
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144030 53302638 1 SN4O4C17H18 AB4C4D17E18 -30.92 9.45 -8.91 -0.74 0
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144031 53302826 1 NSO3H17C24 ABC3D17E24 -27.7 2.69 -8.6 -1.18 0
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144032 53303073 1 NO3C24H31 AB3C24D31 -86.08 4.27 -8.73 -0.69 0
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144033 53303074 1 NO3C18H21 AB3C18D21 -69.67 4.17 -8.75 -0.77 0
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144034 53303075 1 NSO3C16H17 ABC3D16E17 -57.39 3.46 -8.74 -0.94 0
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144035 53303510 1 ClFN7H15C20 ABC7D15E20 98.35 9.94 -8.96 -1.31 0
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144036 53303511 1 FN7H18C21 AB7C18D21 90.73 11.81 -8.82 -1.03 0
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144037 53303512 1 FN7H18C21 AB7C18D21 88.61 12.82 -8.86 -1.04 0
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144038 53303914 1 N3O3C24H29 A3B3C24D29 -80.82 7.59 -8.97 -0.9 0