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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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84043 49863726 1 NO3C19H23 AB3C19D23 -82.08 3.17 -8.78 -0.88 0
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84044 49863775 1 O3N4C30H40 A3B4C30D40 -67.81 3.0 -8.1 0.01 0
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84045 49863848 1 OCl3N4C26H31 AB3C4D26E31 -40.94 7.23 -8.52 -0.34 0
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84046 49863862 1 ClN3C19H24 AB3C19D24 20.03 5.7 -8.64 -0.64 0
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84047 49863867 1 OF6N6H12C21 AB6C6D12E21 -223.24 2.4 -9.57 -1.71 0
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84048 49863869 1 ClS2N4O4H13C19 AB2C4D4E13F19 -31.24 10.83 -9.14 -2.43 0
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84049 49863882 1 FSN2O2C15H17 ABC2D2E15F17 2.18 2.43 -8.91 -1.09 0
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84050 49863883 1 FSN2O2C16H19 ABC2D2E16F19 -13.03 3.3 -8.84 -0.95 0
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84051 49863888 1 ClN3C21H28 AB3C21D28 10.24 5.63 -8.68 -0.65 0
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84052 49863889 1 BrF6N6H9C19 AB6C6D9E19 -166.76 4.93 -9.41 -1.83 0
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84053 49863905 1 O15C41H62 A15B41C62 -690.75 2.37 -9.37 -0.42 0
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84054 49863908 1 ClNO5H20C22 ABC5D20E22 -136.56 10.01 -8.88 -0.85 0
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84055 49863911 1 ClO2N3H20C24 AB2C3D20E24 -10.14 2.68 -8.74 -1.5 0
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84056 49863920 1 ClSO2N5C27H32 ABC2D5E27F32 -0.4 11.27 -8.62 -1.02 0
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84057 49863921 1 SN2O5H26C30 AB2C5D26E30 -95.02 10.4 -9.14 -1.23 0
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84058 49863922 1 SN2F3O6C32H33 AB2C3D6E32F33 -330.04 3.56 -8.67 -1.2 0
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84059 49863925 1 ClFNO5H19C22 ABCD5E19F22 -188.98 7.3 -8.46 -0.97 0
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84060 49863951 1 ClFON3H17C21 ABCD3E17F21 -41.72 3.62 -8.79 -1.47 0
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84061 49863963 1 SN15O29C81H105 AB15C29D81E105 -1190.66 11.29 -8.8 -1.21 0
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84062 49863964 1 S2N15O30C81H109 A2B15C30D81E109 -1261.86 8.64 -8.38 -1.24 0
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84063 49863965 1 SN12O25C70H96 AB12C25D70E96 -1098.35 8.87 -8.37 -1.25 0
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84064 49863966 1 NO4C9H11 AB4C9D11 -149.26 1.22 -9.04 -0.42 0
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84065 49863969 1 O3N11C30H43 A3B11C30D43 -62.23 5.27 -8.67 -0.21 0
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84066 49863976 1 NO4H15C18 AB4C15D18 -86.93 5.45 -8.59 -0.89 0
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84067 49863978 1 NO5H17C19 AB5C17D19 -127.41 5.69 -8.61 -0.86 0
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84068 49863985 2 O3C14H17 A3B14C17 -187.64 7.64 -9.52 -0.33 0
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84069 49863987 1 NOF3H24C25 ABC3D24E25 -120.13 3.04 -8.79 -0.8 0
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84070 49863989 1 O2C19H30 A2B19C30 -96.48 5.01 -8.79 0.14 0
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84071 49863991 1 O17H28C32 A17B28C32 -664.71 2.29 -8.89 -1.52 0
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84072 49863996 1 FNO4H14C18 ABC4D14E18 -135.03 5.57 -8.63 -1.0 0
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84073 49863998 1 NF3O4H14C19 AB3C4D14E19 -249.54 6.83 -8.81 -1.1 0
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84074 49863999 1 BrN2O2H21C24 AB2C2D21E24 -1.2 4.51 -9.06 -0.95 0
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84075 49864003 1 NO3C26H33 AB3C26D33 -113.67 3.18 -9.09 -1.4 0
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84076 49864007 1 ClOSN6H19C20 ABCD6E19F20 92.32 9.28 -9.56 -1.68 0
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84077 49864008 1 ClSO2N6H21C22 ABC2D6E21F22 55.35 3.31 -8.96 -1.58 0
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84078 49864010 1 NO4H15C17 AB4C15D17 -77.51 3.37 -8.35 -0.72 0
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84079 49864014 1 N2O3H26C31 A2B3C26D31 -8.78 2.7 -9.25 -0.97 0
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84080 49864017 1 ClNO3C24H28 ABC3D24E28 -108.71 2.77 -9.08 -1.32 0
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84081 49864020 1 FON2H27C28 ABC2D27E28 20.42 3.92 -8.8 -1.08 0
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84082 49864022 1 PN4O16C20H31 AB4C16D20E31 -743.73 13.02 -9.37 -1.02 0
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84083 49864024 1 NF3O3H12C17 AB3C3D12E17 -201.15 4.16 -8.63 -1.07 0
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84084 49864040 1 ClN2O5C26H31 AB2C5D26E31 -125.12 9.47 -9.67 -1.43 0
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84085 49864075 1 NO3C16H25 AB3C16D25 -141.36 1.71 -8.59 0.06 0
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84086 49864079 1 O7N8C42H64 A7B8C42D64 -336.52 6.01 -9.22 0.09 0
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84087 49864080 1 O7N8C43H66 A7B8C43D66 -334.38 3.32 -9.31 0.0 0
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84088 49864084 1 PN2O9C19H29 AB2C9D19E29 -417.35 3.97 -9.24 -0.38 0
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84089 49864087 3 N2C7H8 A2B7C8 117.35 11.08 -8.51 -0.65 0
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84090 49864090 2 N2O2H8C9 A2B2C8D9 -39.16 7.08 -9.22 -1.16 0
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84091 49864092 1 PN2O9C18H27 AB2C9D18E27 -412.43 6.38 -9.36 -0.3 0
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84092 49864093 1 PN2O9C19H29 AB2C9D19E29 -420.14 6.06 -9.26 -0.07 0