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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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84093 49864113 1 OCl2N6H22C23 AB2C6D22E23 65.43 6.31 -9.11 -1.41 0
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84094 49864114 1 FNO3H14C17 ABC3D14E17 -118.27 4.55 -8.67 -1.16 0
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84095 49864119 1 O7C26H34 A7B26C34 -288.04 6.65 -9.54 -1.8 0
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84096 49864138 1 O5C21H24 A5B21C24 -177.57 9.04 -9.51 -1.63 0
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84097 49864146 1 BrO3N5C15H20 AB3C5D15E20 -63.46 7.83 -9.18 -1.42 0
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84098 49864147 1 NF3O3H12C18 AB3C3D12E18 -219.02 7.09 -9.0 -1.46 0
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84099 49864156 2 NO2C7H14 AB2C7D14 -177.88 1.42 -8.89 0.08 0
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84100 49864164 1 NO8C29H37 AB8C29D37 -268.87 18.98 -8.75 -1.43 0
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84101 49864171 1 NO3C20H21 AB3C20D21 -78.34 3.15 -8.7 -1.36 0
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84102 49864183 1 FNO4H12C17 ABC4D12E17 -142.75 5.39 -8.83 -1.32 0
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84103 49864190 1 NO3C24H29 AB3C24D29 -99.05 1.51 -8.77 -1.35 0
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84104 49864191 1 ClNO3H16C18 ABC3D16E18 -83.23 5.99 -9.19 -1.57 0
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84105 49864193 1 NO2C30H43 AB2C30D43 -104.51 4.87 -9.09 -0.2 0
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84106 49864195 1 ClON7H20C21 ABC7D20E21 101.58 6.75 -9.64 -1.59 0
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84107 49864218 1 BrCl2O4N6C57H85 AB2C4D6E57F85 -173.75 7.14 -7.31 -0.05 0
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84108 49864223 1 ClN2O3C40H63 AB2C3D40E63 -206.01 13.81 -8.01 -1.0 0
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84109 49864255 1 F3N4O11C43H69 A3B4C11D43E69 -677.76 5.27 -8.55 -0.35 0
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84110 49864256 1 N5O13C42H69 A5B13C42D69 -539.54 2.74 -8.75 -0.92 0
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84111 49864262 1 N4O11C42H66 A4B11C42D66 -460.18 7.09 -8.94 -0.38 0
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84112 49864263 1 N5O11C43H67 A5B11C43D67 -433.95 15.26 -8.75 0.08 0
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84113 49864264 1 N5O11C45H71 A5B11C45D71 -492.09 4.75 -8.24 -0.54 0
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84114 49864280 1 N3O5H15C16 A3B5C15D16 -121.47 6.99 -9.21 -1.09 0
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84115 49864287 1 N2O3C29H36 A2B3C29D36 -101.94 5.82 -8.71 -0.98 0
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84116 49864289 1 SO2N3C25H29 AB2C3D25E29 1.09 5.47 -8.08 -0.98 0
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84117 49864300 1 N5O5C17H25 A5B5C17D25 -203.81 8.33 -9.31 -0.3 0
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84118 49864301 1 N6O7C20H32 A6B7C20D32 -309.59 5.52 -8.96 0.03 0
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84119 49864307 1 ClS2N4O6C23H27 AB2C4D6E23F27 -217.74 10.93 -8.64 -0.42 0
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84120 49864320 1 OSN6H18C20 ABC6D18E20 110.24 5.45 -8.98 -1.28 0
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84121 49864321 1 ION6C18H19 ABC6D18E19 110.9 6.13 -8.43 -1.25 0
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84122 49864322 1 N4O7C20H30 A4B7C20D30 -310.47 6.75 -9.18 -0.18 0
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84123 49864323 1 SN3O5C16H23 AB3C5D16E23 -208.1 7.65 -8.72 -0.18 0
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84124 49864326 1 N3O7C10H15 A3B7C10D15 -256.55 1.93 -10.37 -1.16 0
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84125 49864328 1 ClFO3N4H20C23 ABC3D4E20F23 -106.67 3.24 -8.85 -0.81 0
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84126 49864329 1 ClFN4O4H22C25 ABC4D4E22F25 -154.76 4.64 -8.94 -0.86 0
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84127 49864330 1 ClON3H20C23 ABC3D20E23 38.94 6.48 -8.54 -0.51 0
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84128 49864365 1 FN3O5C21H26 AB3C5D21E26 -254.69 6.57 -8.72 -0.42 0
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84129 49864431 1 O3N6C14H24 A3B6C14D24 -125.17 6.5 -9.11 0.34 0
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84130 49864433 1 N5O5C10H19 A5B5C10D19 -230.59 2.05 -9.96 -0.17 0
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84131 49864435 1 ClFO3N4H26C27 ABC3D4E26F27 -91.62 5.7 -8.95 -0.94 0
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84132 49864458 1 ClFSO3N4H24C28 ABCD3E4F24G28 -77.21 5.44 -8.83 -0.78 0
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84133 49864476 2 SO11N14C49H79 AB11C14D49E79 -1028.72 2.72 -8.67 -0.41 0
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84134 49864477 1 N3O4C10H19 A3B4C10D19 -202.56 4.61 -10.07 0.13 1
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84138 49864494 1 N2O3C10H20 A2B3C10D20 -163.81 5.41 -9.68 0.27 0
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84139 49864501 1 SCl2N3O5H23C26 AB2C3D5E23F26 -159.74 6.82 -9.4 -1.25 0
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84140 49864504 1 NSiO5C29H35 ABC5D29E35 -195.61 4.77 -8.47 -0.64 0
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84141 49864508 1 BrO5H17C19 AB5C17D19 -132.46 3.33 -8.7 -1.43 0
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84142 49864520 1 ClN2O2C5H11 AB2C2D5E11 -116.61 4.46 -9.43 0.52 0
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84143 49864561 1 SN43O48C152H223 AB43C48D152E223 -2030.26 18.01 -8.39 -1.19 0
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84145 49864576 1 SN42O50C155H224 AB42C50D155E224 -2108.52 8.06 -8.64 -1.38 0
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84147 49864581 1 N3O16C24H41 A3B16C24D41 -740.28 7.39 -9.9 0.16 0