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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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46963 10528671 1 ClO4N9C18H36 AB4C9D18E36 -203.85 5.67 -9.67 0.05 0
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46964 10528676 1 OSCl2N6C21H24 ABC2D6E21F24 77.9 3.43 -8.46 -1.2 0
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46965 10528677 1 OCl2N2C28H28 AB2C2D28E28 26.82 0.87 -9.22 -0.47 0
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46966 10528680 1 N3O6H17C19 A3B6C17D19 -167.2 12.18 -9.35 -1.29 0
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46967 10528686 1 OSN4C22H30 ABC4D22E30 36.33 2.8 -8.53 -0.84 0
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46968 10528696 1 NSO6C25H37 ABC6D25E37 -240.17 3.16 -8.91 -0.25 0
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46969 10528697 1 NO3S3H21C25 AB3C3D21E25 13.16 9.52 -8.2 -0.72 0
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46970 10528707 1 ClNF2O3C26H32 ABC2D3E26F32 -233.86 7.85 -8.73 -0.09 0
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46971 10528711 2 BrSN2H4C8 ABC2D4E8 154.71 0.03 -9.3 -1.24 0
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46973 10528716 2 N2O5C10H12 A2B5C10D12 -391.6 6.83 -9.7 -1.16 0
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46974 10528724 1 O8C27H28 A8B27C28 -257.5 7.39 -8.99 -0.34 0
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46975 10528731 2 NO2H14C15 AB2C14D15 -78.79 2.54 -9.66 -0.71 0
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46976 10528733 2 NO2H14C15 AB2C14D15 -117.26 3.02 -9.03 -0.73 0
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46977 10528734 1 O3N4H28C29 A3B4C28D29 -30.02 8.06 -9.36 -1.09 0
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46978 10528740 1 F2N2O2C29H34 A2B2C2D29E34 -113.57 3.34 -8.43 -0.23 0
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46979 10528744 5 OC6H8 AB6C8 -195.77 8.29 -9.4 -0.21 0
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46980 10528747 1 SN2O3C28H36 AB2C3D28E36 -97.09 6.71 -8.22 -0.5 0
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46981 10528750 1 S2O5C25H36 A2B5C25D36 -206.01 5.89 -8.78 -0.48 0
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46982 10528752 1 SSiN2O4C24H40 ABC2D4E24F40 -231.98 5.12 -9.0 -0.81 1
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46983 10528756 1 PO5N6C18H34 AB5C6D18E34 -201.21 9.64 0.0 0.0 0
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46984 10528757 1 ClN4O6C22H29 AB4C6D22E29 -171.86 9.51 -8.72 -1.3 0
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46985 10528766 1 NO7C27H31 AB7C27D31 -249.9 1.39 -8.9 -0.06 0
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46986 10528767 1 NO7C27H31 AB7C27D31 -258.46 11.28 -9.09 -0.65 0
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46987 10528771 1 N5O5C25H31 A5B5C25D31 -30.35 14.57 -9.48 -1.44 0
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46988 10528777 1 ClSN3O7C20H20 ABC3D7E20F20 -205.01 5.0 -9.48 -0.92 0
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46989 10528778 1 Br2O3C21H22 A2B3C21D22 -46.64 3.2 -9.49 -0.58 0
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46992 10528810 1 SN2O2C30H30 AB2C2D30E30 54.05 2.57 -8.85 -0.32 0
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46993 10528815 1 SCl3N3O3H14C20 AB3C3D3E14F20 -69.19 2.17 -9.35 -1.32 0
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46994 10528819 1 ClO3H27C31 AB3C27D31 -44.35 5.26 -9.44 -0.61 0
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46995 10528824 1 NaCl2N4O4H17C21 AB2C4D4E17F21 -161.85 9.27 -8.59 -0.77 0
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46996 10528829 1 SeO4C26H28 AB4C26D28 -57.3 3.18 -8.54 -0.39 0
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46997 10528830 1 NSO8H21C24 ABC8D21E24 -247.06 3.99 -8.56 -1.06 1
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46998 10528834 1 NS4C15H16 AB4C15D16 62.66 2.5 0.0 0.0 0
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46999 10528838 1 SN3O6C24H25 AB3C6D24E25 -157.55 7.58 -8.81 -1.24 0
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47000 10528842 1 SO2N3C29H29 AB2C3D29E29 33.23 2.08 -8.23 -0.91 0
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47002 10528867 1 PO7C25H41 AB7C25D41 -366.74 1.43 -8.64 0.35 0
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47003 10528879 1 N2O5C28H40 A2B5C28D40 -232.76 3.77 -9.52 0.02 0
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47004 10528898 1 FO5N7C22H24 AB5C7D22E24 -172.86 4.52 -9.13 -0.92 0
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47005 10528901 1 NO6H27C29 AB6C27D29 -180.25 9.36 -9.6 -0.55 0
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47006 10528902 1 N3O5H27C28 A3B5C27D28 -115.38 3.19 -8.86 -1.21 0
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47007 10528909 1 OS2N5H23C26 AB2C5D23E26 115.96 8.72 -7.89 -0.75 0
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47008 10528915 1 OPSN2Cl3H20C21 ABCD2E3F20G21 -77.03 3.79 -9.05 -0.88 0
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47009 10528917 1 Cl2N2O3C23H26 A2B2C3D23E26 -69.57 3.8 -9.12 -0.6 0
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47010 10528921 1 ClON3C30H32 ABC3D30E32 5.33 3.11 -9.12 -0.3 0
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47011 10528922 1 OPBr2H15C22 ABC2D15E22 59.81 5.47 -9.61 -0.96 0
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47012 10528926 1 ISN2O3C19H23 ABC2D3E19F23 -79.47 1.92 -8.91 -1.22 0
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47013 10528927 1 BrSO4N5C18H24 ABC4D5E18F24 -69.01 10.31 -8.65 -1.3 0
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47014 10528929 1 PSC23H26 ABC23D26 63.4 2.2 0.0 0.0 0
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47015 10528930 6 NOH3C4 ABC3D4 50.23 3.2 -9.74 -2.27 0
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47016 10528984 1 NSO6C26H33 ABC6D26E33 -205.83 5.36 -8.65 -0.31 0
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47017 10528985 1 NSO4C29H29 ABC4D29E29 -97.51 5.39 -8.71 -0.64 0
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47018 10528989 1 NSiO3C29H49 ABC3D29E49 -216.97 4.38 -8.7 0.48 0
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47020 10528994 1 BrNO4H18C26 ABC4D18E26 -56.05 8.23 -8.28 -1.19 0
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47021 10528997 1 BrNSO4H22C23 ABCD4E22F23 -99.09 3.15 -9.45 -1.07 0
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47022 10528998 1 PN2O10C20H29 AB2C10D20E29 -316.73 5.38 -9.91 -1.28 1
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47023 10529001 1 NSeS2C14H14 ABC2D14E14 85.46 5.01 0.0 0.0 0
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47024 10529003 1 Cl2S2N3O3C20H23 A2B2C3D3E20F23 -77.8 15.43 -8.02 -0.69 0
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47025 10529010 1 N4O9C21H36 A4B9C21D36 -405.03 7.45 -9.98 -0.32 0
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47026 10529012 2 O3C15H16 A3B15C16 -156.1 3.47 -9.27 0.12 0
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47027 10529019 1 SN2O4C28H28 AB2C4D28E28 -55.71 6.31 -8.68 -0.86 0
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47028 10529021 1 SiO8C25H32 AB8C25D32 -340.47 3.0 -9.96 -0.75 0
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47029 10529026 2 NO2C15H18 AB2C15D18 -97.66 2.43 -8.81 -0.77 0
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47030 10529027 1 N2S2O5C24H28 A2B2C5D24E28 -105.99 6.55 -8.62 -0.98 0
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47031 10529035 1 SO5C28H40 AB5C28D40 -202.02 6.28 -9.19 -0.46 0
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47032 10529036 1 SiO4C30H36 AB4C30D36 -152.73 1.37 -8.99 0.02 0
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47033 10529037 1 SiO4C30H36 AB4C30D36 -158.12 4.33 -8.94 -0.73 0
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47034 10529040 1 BrClNSO8C15H19 ABCDE8F15G19 -336.8 3.13 -9.87 -1.31 0
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47035 10529070 1 NSiO4C29H35 ABC4D29E35 -161.48 3.82 -9.18 -0.03 0
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47036 10529074 1 ClFO2N3C27H37 ABC2D3E27F37 -85.51 2.42 -8.72 -0.21 0
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47037 10529078 4 ClNOC4H9 ABCD4E9 -336.47 10.52 -10.0 -1.19 0
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47038 10529079 4 NOC4H8 ABC4D8 -192.16 5.74 -9.15 0.39 0
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47039 10529083 1 FN6O6C22H27 AB6C6D22E27 -215.89 11.62 -9.37 -0.4 0
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47040 10529122 2 NCl3H5C10 AB3C5D10 65.96 7.92 -9.7 -1.71 1
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47041 10529128 1 NO3C22H38 AB3C22D38 -86.31 5.19 0.0 0.0 0
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47042 10529130 1 NPSO7C23H26 ABCD7E23F26 -299.57 2.88 -9.04 -0.67 0