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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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101 2116 1 O2C29H50 A2B29C50 -180.24 3.27 -7.92 0.49 0
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102 2118 1 ClN4H13C17 AB4C13D17 111.46 6.34 -9.76 -1.28 0
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103 2119 1 NO2C15H23 AB2C15D23 -67.98 1.77 -8.89 0.16 0
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104 2120 1 NO4H9C14 AB4C9D14 -122.07 9.39 -10.12 -2.08 0
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105 2121 1 N3O3H11C16 A3B3C11D16 66.45 4.57 -9.34 -2.66 0
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106 2123 3 N2C3H6 A2B3C6 47.55 0.84 -8.8 0.52 0
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107 2125 1 IOCl2N4H21C22 ABC2D4E21F22 55.62 4.55 -8.64 -1.22 0
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108 2128 1 SCl2N2O4C19H25 AB2C2D4E19F25 -120.13 0.97 0.0 0.0 1
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109 2129 1 SCl2N2O4C19H24 AB2C2D4E19F24 -143.91 6.5 -8.64 -0.35 0
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110 2130 1 NC10H17 AB10C17 -32.36 1.7 -9.19 3.41 0
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111 2140 1 N2I3O4H9C11 A2B3C4D9E11 -90.0 8.75 -9.41 -1.76 0
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112 2141 1 PSN2O3C5H15 ABC2D3E5F15 -205.77 2.91 -9.33 -0.53 0
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113 2142 1 N5O13C22H43 A5B13C22D43 -595.14 6.65 -9.35 0.52 0
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114 2144 1 SN3O5C13H21 AB3C5D13E21 -175.93 3.39 -9.58 -1.1 0
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115 2146 1 CN4H6 AB4C6 28.0 1.18 -9.03 1.02 0
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116 2148 1 N2O3C9H10 A2B3C9D10 -108.65 8.81 -9.14 -0.62 0
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117 2149 1 NO3C4H9 AB3C4D9 -144.78 7.18 -10.47 0.82 0
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118 2150 1 SN4O6C15H24 AB4C6D15E24 -219.46 7.47 -9.82 -1.18 0
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119 2151 1 ON3C11H13 AB3C11D13 17.76 4.35 -8.52 -0.31 0
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120 2152 2 PN3C5O5H8 AB3C5D5E8 -490.93 15.15 -8.91 -0.77 0
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121 2153 1 O2N4C7H8 A2B4C7D8 -45.72 3.11 -9.31 -0.73 0
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122 2154 1 O5N8C19H20 A5B8C19D20 -122.7 9.13 -9.02 -1.27 0
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123 2155 1 SN2C3H4 AB2C3D4 35.87 2.04 -8.98 -0.34 0
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124 2156 1 NI2O3C25H30 AB2C3D25E30 -32.2 14.46 0.0 0.0 1
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125 2157 1 NI2O3C25H29 AB2C3D25E29 -37.58 5.53 -8.91 -1.27 0
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126 2158 1 NO6C14H27 AB6C14D27 -284.82 4.78 -8.94 1.04 0
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127 2160 1 NC20H23 AB20C23 47.13 2.21 -8.66 0.15 0
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128 2161 2 NO2H7C8 AB2C7D8 -116.08 5.7 -9.64 -1.19 0
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129 2162 1 ClN2O5C20H25 AB2C5D20E25 -198.39 3.85 -8.89 -0.65 0
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130 2163 1 N2O3C11H17 A2B3C11D17 -104.99 3.3 0.0 0.0 -1
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131 2164 1 N2O3C11H18 A2B3C11D18 -165.95 2.07 -10.99 -0.68 0
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132 2165 1 ClON3C20H22 ABC3D20E22 11.14 6.53 -8.54 -0.74 0
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133 2166 1 ClON3C20H22 ABC3D20E22 9.08 6.27 -8.63 -0.94 0
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134 2167 1 SN6O8C35H46 AB6C8D35E46 -333.9 9.95 -8.6 -0.1 0
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135 2169 1 SN2O5C18H24 AB2C5D18E24 -160.01 6.02 -8.71 -0.4 0
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136 2170 1 ClON3H16C17 ABC3D16E17 41.1 1.68 -8.71 -0.95 0
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137 2171 1 SN3O5C16H19 AB3C5D16E19 -173.72 6.58 -9.45 -0.52 0
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138 2172 1 NO5C8H9 AB5C8D9 -166.65 6.09 -10.09 -0.75 0
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139 2173 1 SN3O4C16H18 AB3C4D16E18 -114.99 5.55 0.0 0.0 -1
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140 2178 1 N4C14H19 A4B14C19 46.82 1.29 0.0 0.0 1
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141 2179 1 SN3O3H19C21 AB3C3D19E21 -25.07 4.09 -8.07 -1.12 0
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142 2180 1 NO11C20H27 AB11C20D27 -436.06 4.19 -10.11 -0.54 0
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143 2181 2 NC5H7 AB5C7 23.7 2.55 -9.12 -0.08 0
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144 2182 1 OCl2N3H7C10 AB2C3D7E10 4.82 5.26 -9.43 -1.25 0
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145 2183 1 NO2C20H37 AB2C20D37 -130.23 3.06 -9.3 1.0 0
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146 2186 1 NO2C24H41 AB2C24D41 -106.98 5.75 -9.5 0.89 0
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147 2187 1 N5C17H19 A5B17C19 106.8 3.81 -10.24 -0.75 0
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148 2188 1 ClNS2H4C8O8 ABC2D4E8F8 -221.07 7.75 -10.66 -3.65 -2
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149 2190 1 ClNSH5O5C8 ABCD5E5F8 -126.56 8.25 0.0 0.0 -1
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150 2191 1 ClNSO5H6C8 ABCD5E6F8 -169.06 2.37 -8.87 -1.28 0
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151 2193 1 O2C19H26 A2B19C26 -108.6 4.15 -9.83 -0.07 0
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152 2194 1 OS3H8C10 AB3C8D10 28.64 5.23 -8.62 -1.69 0
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153 2195 1 O9C32H46 A9B32C46 -415.47 2.48 -8.94 0.03 0
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154 2196 1 NO3C12H13 AB3C12D13 -103.89 1.18 -9.14 -0.31 0
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155 2197 1 O3H12C16 A3B12C16 -51.68 1.54 -8.82 -1.23 0
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156 2199 1 NO4C14H19 AB4C14D19 -161.78 1.89 -8.69 0.23 0
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157 2200 1 N3C17H19 A3B17C19 74.6 1.74 -8.54 0.18 0
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158 2204 1 N2O9C27H38 A2B9C27D38 -406.71 10.82 -8.79 -0.98 0
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159 2207 1 NPC4O5H10 ABC4D5E10 -282.76 3.27 -9.97 0.38 0
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160 2210 2 O2C10H17 A2B10C17 -223.28 5.31 -9.97 2.34 0
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161 2212 1 N5O6C33H47 A5B6C33D47 -212.76 8.48 -9.02 -0.84 0
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162 2213 5 OH2C3 AB2C3 -133.51 13.46 -8.97 -1.64 0
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163 2214 1 O3C9H10 A3B9C10 -100.67 0.86 -8.96 -0.62 0
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164 2215 1 NO2C17H17 AB2C17D17 -44.12 3.41 -8.59 -0.53 0
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165 2218 2 NC11H15 AB11C15 26.12 2.42 -8.02 0.38 0
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166 2222 1 NPO7C44H82 ABC7D44E82 -436.37 12.51 -9.29 -0.17 0
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168 2224 1 OF3C21H31 AB3C21D31 -191.45 4.04 -9.57 -0.68 0
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169 2225 1 N2O7C19H20 A2B7C19D20 -187.77 12.41 -9.34 -1.08 0
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170 2226 2 N3O5C11H22 A3B5C11D22 -452.03 3.77 -9.28 0.79 0
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171 2227 2 C3N3H8 A3B3C8 22.02 0.24 -9.28 1.22 0
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172 2230 1 NO2C8H13 AB2C8D13 -78.34 3.63 -8.98 -0.18 0
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173 2231 2 O5N9C19H37 A5B9C19D37 -457.45 11.82 -9.48 -0.46 0
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174 2233 1 ON5C6H16 AB5C6D16 -35.53 3.25 0.0 0.0 1
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175 2236 1 NO7H11C17 AB7C11D17 -128.28 11.39 -9.1 -1.87 0
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176 2237 3 C5H8 A5B8 -19.58 1.03 -8.94 1.59 0
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177 2238 1 N3O4H11C17 A3B4C11D17 21.71 6.49 -9.61 -1.83 0
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178 2240 1 O5C15H22 A5B15C22 -174.43 6.91 -9.82 -0.3 0
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179 2242 1 N2O5C14H18 A2B5C14D18 -201.72 6.67 -9.58 0.06 0
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180 2244 1 O4H8C9 A4B8C9 -149.4 2.04 -9.78 -0.87 0
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181 2246 4 OC10H13 AB10C13 -99.57 3.97 -8.24 -0.52 0
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182 2248 1 N5O6C17H35 A5B6C17D35 -284.03 2.15 -9.31 0.46 0
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183 2251 1 P3N5C10H13O13 A3B5C10D13E13 -499.49 9.64 0.0 0.0 -3
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184 2253 2 NO2C5H8 AB2C5D8 -143.81 5.09 -9.82 -0.75 0
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185 2254 2 SO8C15H22 AB8C15D22 -659.6 9.16 -10.15 -1.43 -2
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186 2255 2 SO8C15H23 AB8C15D23 -715.81 7.58 -10.04 -1.42 0
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187 2257 1 N3O9H20C22 A3B9C20D22 -220.56 7.43 0.0 0.0 3
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188 2259 1 O9H14C22 A9B14C22 -282.47 6.52 -10.29 -2.04 0
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189 2263 1 O16C35H44 A16B35C44 -613.61 4.23 -9.64 -0.24 0
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190 2266 1 O4C9H16 A4B9C16 -206.15 2.62 -11.03 0.57 0
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191 2268 1 PS2N3O3C10H12 AB2C3D3E10F12 -123.82 3.74 -9.52 -1.48 0
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192 2269 2 NO6C19H36 AB6C19D36 -614.68 5.86 -8.57 0.71 0
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193 2272 2 NH5C6 AB5C6 95.92 0.01 -9.18 -1.11 0
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194 2273 1 ClO2S2N6H11C12 AB2C2D6E11F12 50.16 10.18 -9.15 -0.97 0
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195 2275 1 SO3C15H18 AB3C15D18 -86.44 7.03 -8.58 -1.44 0
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196 2276 1 SN9O15C39H53 AB9C15D39E53 -640.71 6.84 -8.77 -0.8 0
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197 2278 1 NO6H11C14 AB6C11D14 -102.52 5.78 -9.44 -1.11 0
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198 2279 1 S2O3N4C22H38 A2B3C4D22E38 -134.14 5.56 -8.89 0.07 0
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199 2281 1 ON8H14C17 AB8C14D17 115.58 3.87 -9.62 -1.83 0
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200 2282 1 SN3O7C21H27 AB3C7D21E27 -268.97 4.49 -9.43 -0.29 0
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201 2286 1 O4C21H24 A4B21C24 -60.71 3.54 -8.76 0.13 0