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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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83942 49862732 1 N3O4H11C13 A3B4C11D13 15.36 1.64 -9.36 -1.98 0
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83943 49862736 1 ClF2O2N3C32H38 AB2C2D3E32F38 -163.47 2.56 -8.79 -0.59 0
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83944 49862738 1 ClF2O2N3C31H36 AB2C2D3E31F36 -157.26 1.84 -8.79 -0.58 0
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83945 49862765 1 ClN3O3H18C20 AB3C3D18E20 -5.0 3.22 -9.05 -0.62 0
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83946 49862774 1 ON2C16H22 AB2C16D22 -53.82 4.24 -8.48 -0.01 0
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83947 49862780 1 ClON2H15C21 ABC2D15E21 45.38 3.88 -8.51 -0.78 0
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83948 49862781 1 ClON3H22C25 ABC3D22E25 49.09 4.2 -8.32 -0.65 0
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83949 49862788 2 O2C13H13 A2B13C13 -33.87 2.02 -8.62 -0.5 0
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83950 49862796 1 OF3N4H13C17 AB3C4D13E17 -92.74 4.22 -9.18 -1.52 0
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83951 49862800 1 ClFN3O4C22H25 ABC3D4E22F25 -228.24 4.79 -9.27 -0.61 0
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83952 49862804 1 ClO3N8C9H19 AB3C8D9E19 -101.31 3.15 -9.71 -0.29 0
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83953 49862805 1 O3N8C9H18 A3B8C9D18 -63.33 1.46 -9.63 0.02 0
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83954 49862821 3 O7C16H26 A7B16C26 -1026.54 9.58 -10.16 0.08 0
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83955 49862834 1 ClN3O4H20C21 AB3C4D20E21 -47.75 3.94 -8.91 -0.56 0
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83956 49862837 1 F3N3O4H20C21 A3B3C4D20E21 -258.8 8.24 -9.9 -1.33 0
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83957 49862852 1 S2N4O5H24C28 A2B4C5D24E28 -77.9 7.79 -9.3 -1.22 0
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83958 49862857 1 ClFO2N3H27C28 ABC2D3E27F28 -70.21 4.15 -9.12 -0.67 0
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83959 49862871 1 ClFON2H14C17 ABCD2E14F17 -23.71 4.61 -8.97 -0.85 0
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83960 49862882 1 SF3O4N6H15C16 AB3C4D6E15F16 -145.46 6.39 -9.16 -1.46 -1
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83961 49862883 1 SF3O4N5H11C16 AB3C4D5E11F16 -106.18 4.01 0.0 0.0 0
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83962 49862928 1 F3N3O4C30H34 A3B3C4D30E34 -279.25 4.54 -8.92 -0.52 0
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83963 49862930 1 FO3N4C25H35 AB3C4D25E35 -150.01 3.95 -8.78 -0.31 0
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83964 49862931 1 O3N4C29H36 A3B4C29D36 -61.7 3.6 -8.68 -0.21 0
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83965 49862932 2 NO3C16H20 AB3C16D20 -141.78 2.09 -9.43 -0.74 0
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83966 49862933 2 NO3C20H22 AB3C20D22 -134.0 2.12 -9.28 -0.46 0
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83967 49862939 1 SN2O2C25H36 AB2C2D25E36 -48.72 2.57 -9.17 -0.6 0
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83968 49862940 1 SN2O2C18H20 AB2C2D18E20 -0.87 5.06 -9.01 -0.54 0
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83969 49862976 1 FSN2O3H15C17 ABC2D3E15F17 -105.95 4.3 -9.01 -0.92 0
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83970 49862981 1 ON6H16C18 AB6C16D18 95.0 10.05 -9.06 -1.18 0
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83971 49862992 1 ClFN3O3C27H33 ABC3D3E27F33 -154.7 3.41 -8.8 -0.44 0
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83972 49862993 1 ClFN3O4C27H31 ABC3D4E27F31 -192.42 5.92 -9.19 -0.66 0
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83973 49862994 1 FO3N4C23H31 AB3C4D23E31 -135.11 5.35 -8.78 -0.34 0
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83974 49862996 1 FN3O3C24H32 AB3C3D24E32 -137.53 8.36 -8.87 -0.52 0
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83975 49862998 1 SO2N3C20H21 AB2C3D20E21 1.93 10.32 -9.53 -1.61 0
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83976 49862999 1 SO3H20C21 AB3C20D21 -66.82 7.46 -8.82 -1.07 0
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83977 49863004 1 ClNOSH12C14 ABCDE12F14 13.79 5.92 -8.42 -1.12 0
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83978 49863016 1 FO2N3C29H42 AB2C3D29E42 -143.4 5.19 -8.77 -0.86 0
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83979 49863028 1 SN3O5C33H41 AB3C5D33E41 -178.46 9.9 -9.36 -0.42 0
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83980 49863036 1 BrFN2O2H12C13 ABC2D2E12F13 -103.14 5.88 -9.47 -1.24 0
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83981 49863038 1 ClFON3C17H21 ABCD3E17F21 -74.87 4.21 -9.34 -0.52 0
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83982 49863044 1 FN3O3C30H36 AB3C3D30E36 -119.77 6.34 -8.56 -0.64 0
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83983 49863053 1 NSO2C15H15 ABC2D15E15 -23.91 2.9 -8.52 -0.8 0
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83984 49863061 1 ClSN3O3C18H22 ABC3D3E18F22 -81.47 8.14 -8.57 -0.62 0
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83985 49863066 1 ON5C15H15 AB5C15D15 38.46 7.27 -9.2 -1.11 0
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83986 49863077 3 NO2C11H11 AB2C11D11 -142.91 5.39 -8.61 -0.24 0
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83987 49863087 1 ON4C25H40 AB4C25D40 -50.45 5.41 -9.12 -0.11 0
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83988 49863088 1 O2N3C24H39 A2B3C24D39 -112.41 4.55 -9.32 -0.07 0
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83989 49863091 1 NSO3H15C21 ABC3D15E21 2.11 8.34 -9.33 -1.49 0
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83990 49863092 1 NSO3H19C20 ABC3D19E20 -34.61 7.44 -9.4 -1.5 0
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83991 49863099 1 BrSO2N3C19H24 ABC2D3E19F24 -46.93 7.05 -8.68 -0.57 0
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83992 49863102 1 SN3O3C20H27 AB3C3D20E27 -65.45 5.14 -8.42 -0.37 0
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83993 49863104 1 ON5H19C20 AB5C19D20 50.19 7.21 -9.02 -1.1 0
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83994 49863106 1 ON6H12C17 AB6C12D17 95.69 9.88 -9.42 -1.45 0
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83995 49863109 1 ClFN2O2C15H16 ABC2D2E15F16 -86.22 3.11 -9.77 -0.47 0
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83996 49863113 1 N3O3C22H37 A3B3C22D37 -139.54 3.92 -9.3 -0.08 0
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83997 49863121 1 O3N4C28H32 A3B4C28D32 -61.52 6.35 -9.18 -0.96 0
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83998 49863126 1 ClSN3O3C19H24 ABC3D3E19F24 -86.31 5.79 -8.75 -0.66 0
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83999 49863130 1 SO4N10C28H40 AB4C10D28E40 -50.24 3.65 -8.52 -0.8 0
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84000 49863131 1 SO4N10C30H44 AB4C10D30E44 -49.97 2.31 -8.52 -0.71 0
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84001 49863136 2 ON3H7C9 AB3C7D9 52.36 10.69 -9.37 -1.28 0
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84002 49863157 1 BrSF2O2N3C18H20 ABC2D2E3F18G20 -124.87 7.24 -8.83 -0.73 0
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84003 49863159 2 ON3H14C16 AB3C14D16 20.11 6.89 -8.55 -1.04 0
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84004 49863161 1 ClO2N5H14C19 AB2C5D14E19 32.41 10.11 -9.36 -1.22 0
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84005 49863165 1 ON5H11C13 AB5C11D13 47.2 6.91 -9.27 -1.13 0
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84006 49863167 1 Cl2O3N5H25C29 A2B3C5D25E29 -18.83 8.56 -9.12 -1.07 0
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84007 49863172 1 SN2O3C16H18 AB2C3D16E18 -105.32 4.82 -9.48 -0.97 0
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84008 49863187 1 N3O3H21C26 A3B3C21D26 -12.0 6.03 -9.12 -1.29 0
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84009 49863197 1 ON5H19C20 AB5C19D20 74.52 3.7 -8.49 -0.41 0
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84010 49863222 1 FON5H18C20 ABC5D18E20 26.85 4.48 -8.57 -0.72 0
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84011 49863240 1 N2O2F3H13C16 A2B2C3D13E16 -163.55 4.96 -9.78 -1.26 0
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84012 49863246 1 SCl3O4N5C34H42 AB3C4D5E34F42 -165.08 2.23 -8.64 -0.58 0
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84013 49863248 1 F3N3O3H16C18 A3B3C3D16E18 -206.98 10.46 -9.75 -1.2 0
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84014 49863259 1 F3N3O5H18C22 A3B3C5D18E22 -263.32 6.83 -10.11 -1.51 0
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84015 49863273 1 N2O3F6H20C22 A2B3C6D20E22 -423.63 4.27 -9.16 -1.27 0
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84016 49863314 1 FN3O4C11H14 AB3C4D11E14 -175.54 7.14 -9.8 -0.65 0
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84017 49863325 1 NO3C15H25 AB3C15D25 -171.28 1.52 -10.1 -0.56 0
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84018 49863326 1 NO4C10H15 AB4C10D15 -163.46 8.15 -9.7 -0.6 0
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84019 49863327 1 OSN2H12C15 ABC2D12E15 52.98 3.4 -8.17 -0.5 0
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84020 49863333 1 ClNO2H12C15 ABC2D12E15 -25.25 3.38 -8.58 -1.5 0
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84021 49863334 1 NCl2O3H15C22 AB2C3D15E22 -45.36 2.57 -8.56 -1.5 1
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84022 49863364 1 N2P6C17O31H39 A2B6C17D31E39 -1701.53 6.16 0.0 0.0 0
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84024 49863390 1 S2O23N31C89H145 A2B23C31D89E145 -924.41 34.14 -8.45 -0.78 0
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84025 49863415 1 S3O32N44C130H214 A3B32C44D130E214 -1460.23 25.41 -8.28 -0.53 0
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84026 49863426 2 ON3C16H16 AB3C16D16 52.23 1.68 -7.66 -0.9 0
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84027 49863428 1 SN3C9H11 AB3C9D11 44.95 2.81 -8.02 -0.21 0
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84028 49863429 1 SN3C11H15 AB3C11D15 31.77 1.76 -7.89 -0.13 0
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84029 49863438 1 NO7C33H53 AB7C33D53 -263.41 4.12 -10.04 -0.58 0
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84030 49863461 1 Cl2N10O27H80C81 A2B10C27D80E81 -804.37 7.97 -9.06 -1.49 0
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84031 49863462 1 Cl2N8O23C59H62 A2B8C23D59E62 -865.44 5.77 -9.42 -1.6 0
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84032 49863482 1 ON4C30H36 AB4C30D36 29.23 3.83 -8.11 0.23 0
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84033 49863508 1 O2N3C13H13 A2B3C13D13 -21.35 8.47 -9.53 -0.69 0
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84034 49863519 3 ON2C4H4 AB2C4D4 41.02 5.42 -9.47 -1.79 0
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84035 49863520 3 ON2C4H4 AB2C4D4 41.29 6.37 -9.77 -1.18 0
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84036 49863538 1 S6N16O30C59H114 A6B16C30D59E114 -1406.79 8.46 -9.02 -0.56 0
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84037 49863606 1 OSN3C13H15 ABC3D13E15 36.62 2.41 -8.42 -0.4 0
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84038 49863660 1 SO2C11H18 AB2C11D18 -106.67 1.43 -9.0 -0.4 0
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84039 49863666 1 ON2H14C15 AB2C14D15 18.76 4.97 -7.97 -0.86 0
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84040 49863695 1 ON5C29H33 AB5C29D33 46.59 3.63 -8.05 -0.58 0
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84041 49863696 1 ClNSO5C20H26 ABCD5E20F26 -199.55 2.85 -9.3 -1.22 0
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84042 49863722 1 N9O12C49H67 A9B12C49D67 -532.01 9.41 -8.69 -0.25 0