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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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379029 134228941 1 ClO2N5H14C19 AB2C5D14E19 97.17 1.37 -9.55 -1.71 0
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379030 134228942 1 SO2N4H16C20 AB2C4D16E20 92.95 4.74 -8.85 -1.59 0
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379031 134337191 1 F3N4O13C50H63 A3B4C13D50E63 -628.08 4.69 -8.76 -1.18 0
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379032 134337193 1 F3N4O11C35H53 A3B4C11D35E53 -585.82 5.93 -9.46 -1.25 0
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379033 134337221 1 NOC10H21 ABC10D21 -69.5 1.44 -8.9 2.26 0
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379034 134352105 1 ClON2H23C24 ABC2D23E24 47.56 1.55 -8.71 -0.43 0
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379035 134352106 1 NC25H25 AB25C25 80.98 1.77 -8.12 -0.34 0
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379036 134352117 2 FN2S7C51H54 AB2C7D51E54 185.87 5.62 -8.08 -1.93 0
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379037 134352124 1 SN2O2C27H28 AB2C2D27E28 -15.46 1.8 -8.4 -0.13 0
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379038 134352126 1 FO2N3H26C27 AB2C3D26E27 -66.44 3.78 -8.25 -0.65 0
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379039 134352127 1 O2N3C29H33 A2B3C29D33 -53.23 3.5 -8.2 0.04 0
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379040 134352133 1 O3I4H12C21 A3B4C12D21 18.21 5.9 -9.4 -1.5 0
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379041 134352137 1 O2N4C31H46 A2B4C31D46 -98.76 2.59 -8.14 0.31 0
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379042 134352146 1 ClO2C8H11 AB2C8D11 -79.43 4.49 -8.82 0.37 1
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379043 134352155 1 ClSO3N5C37H49 ABC3D5E37F49 -55.67 5.4 0.0 0.0 1
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379044 134352156 1 ClN3O4C50H57 AB3C4D50E57 -108.72 4.62 0.0 0.0 1
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379045 134352159 1 ClO4N5C40H51 AB4C5D40E51 -101.06 9.24 0.0 0.0 1
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379046 134352161 1 ClSN5O5C38H49 ABC5D5E38F49 -138.07 8.25 0.0 0.0 2
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379047 134352166 1 ClN5C31H38 AB5C31D38 122.13 3.69 -7.57 -0.26 2
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379048 134352167 1 ClO4N5C41H54 AB4C5D41E54 9.79 11.78 -7.29 -0.59 2
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379049 134352168 1 SN5O8C47H59 AB5C8D47E59 -120.58 11.66 -7.36 -0.9 2
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379050 134352170 1 SN5O8C48H61 AB5C8D48E61 -218.17 11.67 -7.06 -0.21 2
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379051 134352171 1 O5N6C49H64 A5B6C49D64 -73.35 11.03 -5.93 -0.51 1
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379052 134352172 1 ClO2N5C43H53 AB2C5D43E53 -5.06 7.51 0.0 0.0 2
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379053 134352178 1 ClSO3N5C41H54 ABC3D5E41F54 26.07 10.28 -5.75 -0.07 0
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379054 134352180 1 ClN2C15H17 AB2C15D17 52.96 1.54 -8.08 -0.43 2
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379055 134352184 1 ClO2N4C48H57 AB2C4D48E57 23.27 6.43 -6.84 -0.85 0
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379056 134352185 1 SN2O3C14H20 AB2C3D14E20 -56.83 24.13 -8.56 -2.58 1
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379057 134352187 1 NO2C21H26 AB2C21D26 -69.1 4.98 0.0 0.0 1
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379058 134352189 1 SN2O3C18H23 AB2C3D18E23 -89.78 6.04 0.0 0.0 1
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379059 134352191 1 N2C15H17 A2B15C17 48.2 3.13 0.0 0.0 0
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379060 134352196 1 ClO2N3C26H30 AB2C3D26E30 -12.52 3.42 -8.16 -0.78 0
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379061 134352197 1 NF3H10C11 AB3C10D11 -130.66 3.63 -8.59 -0.41 0
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379062 134352200 1 ClSN5O5C43H52 ABC5D5E43F52 -130.22 9.01 -8.16 -1.13 0
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379063 134352203 1 NC17H17 AB17C17 51.18 1.75 -8.11 0.05 0
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379064 134352207 2 FNO3C15H16 ABC3D15E16 -304.57 9.44 -9.46 -1.35 0
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379065 134352208 1 F2O3N4C30H32 A2B3C4D30E32 -166.08 3.7 -9.01 -0.82 0
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379066 134352210 1 BrF2N3O4H32C35 AB2C3D4E32F35 -166.57 4.13 -9.06 -1.27 0
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379067 134352219 1 N3O3C29H33 A3B3C29D33 -81.43 3.48 -8.19 0.19 0
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379068 134352228 1 F2N7O11C41H51 A2B7C11D41E51 -496.45 5.35 -8.61 -0.66 0
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379069 134352239 1 F7N7P13C40O53H95 A7B7C13D40E53F95 -3267.59 6.28 -10.3 -0.35 0
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379070 134352240 1 F2N2P2C8O9H20 A2B2C2D8E9F20 -547.61 5.17 -10.04 0.18 0
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379072 134352250 1 NO2F3H8C16 AB2C3D8E16 -137.16 5.04 -8.57 -1.41 0
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379073 134352254 2 FNO2H4C8 ABC2D4E8 -92.05 4.27 -8.94 -2.19 0
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379074 134352262 1 F2N2O3H12C18 A2B2C3D12E18 -141.93 10.45 -8.24 -1.14 0
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379075 134352264 1 FN2O2H13C17 AB2C2D13E17 -62.01 8.64 -7.94 -0.84 0
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379076 134352273 1 F2N7O9C41H53 A2B7C9D41E53 -470.14 7.01 -8.85 -0.6 0
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379077 134352274 1 FO3C11H19 AB3C11D19 -213.57 1.65 -10.39 1.23 0
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379089 134352333 1 NH41C60 AB41C60 256.9 1.02 -7.89 -0.73 0
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379090 134352334 1 NH37C50 AB37C50 187.56 1.37 -7.84 -0.7 0
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379091 134352338 1 NH37C53 AB37C53 222.22 0.56 -7.95 -0.72 0
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379095 134352344 1 NH45C66 AB45C66 281.76 1.39 -7.9 -0.78 0
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379096 134352345 1 NH41C61 AB41C61 256.19 0.7 -8.08 -0.73 0
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379098 134352352 1 NO2H37C59 AB2C37D59 193.85 1.74 -8.1 -0.81 0
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379099 134352359 1 NSH35C53 ABC35D53 226.07 1.26 -8.04 -0.78 0
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379100 134352365 1 F2N7O10C41H51 A2B7C10D41E51 -466.51 3.16 -8.71 -0.74 0
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379101 134352370 1 NH43C63 AB43C63 262.01 0.98 -8.03 -0.71 0
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379102 134352372 1 NH45C66 AB45C66 280.27 0.53 -7.9 -0.73 0
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379103 134352375 1 N3H39C61 A3B39C61 273.18 1.39 -8.14 -0.77 0
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379104 134352377 1 N2H32C49 A2B32C49 318.83 3.92 -7.76 -1.22 0
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379105 134352383 2 N2H13C21 A2B13C21 229.29 2.51 -8.86 -1.31 0
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379106 134352385 1 BrH19C29 AB19C29 121.2 1.92 -8.53 -0.8 0
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379107 134352388 1 NH27C41 AB27C41 177.89 1.49 -8.1 -0.8 0
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379110 134352409 2 O10C21H22 A10B21C22 -776.73 5.64 -9.57 -1.1 0
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379111 134352417 1 O12C37H38 A12B37C38 -410.25 3.52 -9.06 -0.76 0
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379112 134352420 4 O5C12H14 A5B12C14 -817.24 5.14 -9.49 -0.96 0
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379113 134352421 2 O6C17H18 A6B17C18 -426.92 4.18 -9.33 -0.93 0
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379114 134352426 1 PF2N5O11C32H44 AB2C5D11E32F44 -635.98 7.61 -9.41 -0.37 0
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379116 134352434 2 O10C29H33 A10B29C33 -819.13 3.89 -8.93 -0.46 0
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379121 134352547 1 FN3O5C12H16 AB3C5D12E16 -199.32 2.54 -10.08 -0.98 0
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379122 134352548 1 FN3O5C12H16 AB3C5D12E16 -202.71 2.23 -10.03 -0.83 0
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379123 134352550 2 NO2C5H8 AB2C5D8 -182.96 3.44 -9.87 -0.05 0
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379124 134353301 1 SF3N6C23H29 AB3C6D23E29 -87.01 5.07 -8.62 -0.81 0
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379125 134353318 1 SF3N5C21H28 AB3C5D21E28 -110.93 4.95 -8.72 -0.88 0
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379126 134353324 1 SO2F3N5C27H38 AB2C3D5E27F38 -217.78 5.4 -8.85 -1.01 0
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379127 134353457 1 NC27H31 AB27C31 51.03 1.73 -8.64 0.2 0
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379128 134353462 1 OSN6H64C110 ABC6D64E110 480.78 1.35 -8.07 -0.73 0
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379129 134353471 1 ON5H39C59 AB5C39D59 273.42 1.15 -8.04 -1.2 0
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379130 134353474 1 SN4H36C54 AB4C36D54 358.11 3.07 -7.82 -0.85 0
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379131 134353532 1 N5O6C25H41 A5B6C25D41 -242.96 4.27 -9.89 -0.64 0
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379132 134353561 1 F2O6N7C38H49 A2B6C7D38E49 -45.52 25.74 -7.51 -2.19 0
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379133 134353562 1 F2O6N7C38H49 A2B6C7D38E49 -96.51 30.43 -6.43 -2.22 0
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379134 134353689 1 SN7O8C44H49 AB7C8D44E49 -200.18 4.46 -8.57 -0.49 0
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379135 134354005 1 O2N3C12H15 A2B3C12D15 -26.96 4.15 -8.92 -0.34 0
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379136 134354294 2 NH10C17 AB10C17 159.7 2.38 -8.28 -1.12 0
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379137 134354295 2 NH10C17 AB10C17 153.39 3.45 -7.7 -0.97 0
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379138 134354306 1 N3H35C59 A3B35C59 293.03 5.33 -8.03 -1.19 0
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379139 134354430 1 FON4C30H41 ABC4D30E41 -53.48 4.9 -7.47 -0.47 0
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379140 134354489 1 N4H38C55 A4B38C55 295.25 1.72 -7.91 -0.64 0
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379141 134354663 1 NO4C12H21 AB4C12D21 -180.47 1.5 -8.9 -0.09 0
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379142 134354800 1 N3O8H83C84 A3B8C83D84 -36.07 3.82 -7.39 -0.08 0
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379143 134354891 1 ON7C22H33 AB7C22D33 28.74 4.37 -8.66 -0.85 0
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379144 134354921 2 N3O4C8H14 A3B4C8D14 -289.12 5.68 -9.54 -0.91 0
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379145 134354928 1 SO3N6H12C13 AB3C6D12E13 24.5 1.95 -9.1 -1.67 0
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379146 134354929 1 O4N6C17H22 A4B6C17D22 -79.16 4.57 -8.45 -0.22 0
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379147 134354930 1 SO3N4C16H18 AB3C4D16E18 -71.26 1.12 -8.83 -0.99 0
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379148 134354934 1 F2N2C21H22 A2B2C21D22 -15.76 3.52 -8.46 -0.52 0
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379149 134354938 1 F2N3O5H15C19 A2B3C5D15E19 -188.04 1.54 -10.07 -1.35 0
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379150 134354941 1 SO4N6C12H18 AB4C6D12E18 -30.52 3.89 -9.47 -1.17 0
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379151 134354948 1 ON8C25H32 AB8C25D32 77.11 6.55 -8.73 -0.89 0