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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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214145 81087028 1 ON3C15H31 AB3C15D31 -78.65 4.88 -8.57 1.22 0
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214146 81087034 1 ON4C15H22 AB4C15D22 -14.66 3.44 -8.99 -0.21 0
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214147 81087035 1 F2N2O2C13H18 A2B2C2D13E18 -183.96 1.65 -9.39 -0.5 0
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214148 81087036 1 ON3C13H29 AB3C13D29 -84.04 3.61 -8.57 1.0 0
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214149 81087040 1 ON3C7H17 AB3C7D17 -62.01 2.37 -9.35 1.14 0
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214150 81087051 1 BrFON2C13H18 ABCD2E13F18 -84.21 2.8 -9.42 -0.76 0
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214151 81087079 1 BrON2C15H21 ABC2D15E21 -15.3 2.68 -9.41 -0.12 0
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214152 81087082 1 OSN2C15H24 ABC2D15E24 -45.56 4.73 -9.06 -0.16 0
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214153 81087087 1 O2N3C13H25 A2B3C13D25 -124.04 2.87 -9.07 1.14 0
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214154 81087092 1 ON2C11H24 AB2C11D24 -81.57 5.0 -9.2 1.29 0
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214155 81087096 1 ON5C14H25 AB5C14D25 -25.47 6.87 -9.45 0.44 0
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214156 81087104 1 ON3C13H27 AB3C13D27 -70.06 4.15 -8.86 1.17 0
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214157 81087109 1 ON3C12H25 AB3C12D25 -76.43 3.55 -8.79 1.23 0
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214158 81087110 1 ON3C12H21 AB3C12D21 -19.98 4.62 -9.39 0.67 0
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214159 81087111 1 ON3C14H19 AB3C14D19 -2.15 3.63 -9.6 0.02 0
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214160 81087112 1 N2O3C8H16 A2B3C8D16 -144.5 6.5 -9.7 0.38 0
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214161 81087153 1 N3O3C13H19 A3B3C13D19 -57.6 6.62 -9.59 -1.17 0
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214162 81087154 1 N2O3C9H18 A2B3C9D18 -154.99 7.44 -9.79 0.42 0
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214163 81087175 1 ON2C13H28 AB2C13D28 -95.98 3.25 -9.15 1.37 0
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214164 81087176 1 O2N3C15H23 A2B3C15D23 -83.6 4.91 -8.7 0.12 0
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214165 81087177 1 OSN2C14H22 ABC2D14E22 -43.71 2.07 -9.06 -0.16 0
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214166 81087178 2 NOC6H13 ABC6D13 -121.46 1.95 -9.16 1.54 0
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214167 81087179 1 N2O3C12H24 A2B3C12D24 -165.03 2.66 -9.35 0.37 0
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214168 81087180 1 N2O3C11H22 A2B3C11D22 -158.76 3.54 -9.25 0.18 0
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214169 81087181 1 N2O4C13H26 A2B4C13D26 -201.73 2.39 -9.29 0.83 0
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214170 81087182 1 ON2C15H32 AB2C15D32 -104.24 3.33 -9.15 1.26 0
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214171 81087183 2 NOC7H13 ABC7D13 -118.51 1.84 -9.03 1.22 0
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214172 81087187 1 ON3C15H25 AB3C15D25 -45.69 2.51 -9.34 0.07 0
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214173 81087188 1 O2N3C13H27 A2B3C13D27 -129.63 2.26 -9.43 0.76 0
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214174 81087214 1 ClN2O4C13H17 AB2C4D13E17 -171.92 9.94 -9.34 -0.93 0
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214175 81087221 1 O2N3C9H19 A2B3C9D19 -119.63 4.02 -9.36 0.66 0
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214176 81087247 1 O2N3C13H25 A2B3C13D25 -114.56 4.69 -9.35 1.06 0
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214177 81087248 1 O2N3C12H23 A2B3C12D23 -109.51 1.88 -9.33 0.74 0
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214178 81087253 1 ON2C12H26 AB2C12D26 -89.05 3.63 -8.86 1.55 0
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214179 81087255 1 FON2C13H19 ABC2D13E19 -82.65 4.58 -8.77 0.01 0
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214180 81087256 1 N3O3C12H17 A3B3C12D17 -38.05 5.54 -9.48 -1.51 0
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214181 81087273 1 O2N3C13H25 A2B3C13D25 -118.88 3.47 -9.25 0.61 0
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214182 81087275 1 N2F3O3C12H21 A2B3C3D12E21 -319.14 4.19 -9.63 0.34 0
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214183 81087278 1 O2N3C12H25 A2B3C12D25 -116.1 6.98 -8.96 0.56 0
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214184 81087280 1 O2N3C13H25 A2B3C13D25 -120.94 3.36 -9.34 0.96 0
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214185 81087281 1 BrN2O2C12H19 AB2C2D12E19 -65.25 2.26 -9.29 -0.51 0
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214186 81087284 2 NOC8H13 ABC8D13 -85.35 2.34 -8.66 0.22 0
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214187 81087288 1 N2O3C14H26 A2B3C14D26 -165.73 0.63 -9.26 0.67 0
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214188 81087290 2 NOC6H12 ABC6D12 -115.8 4.42 -9.35 1.29 0
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214189 81087296 1 N2O2C11H24 A2B2C11D24 -126.27 2.58 -9.26 1.24 0
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214190 81087298 1 ON3C14H27 AB3C14D27 -70.21 5.76 -8.9 1.14 0
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214191 81087300 1 N2O3C13H18 A2B3C13D18 -121.46 7.04 -9.47 -0.86 1
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214192 84970648 1 SN8C21H25 AB8C21D25 194.71 5.83 0.0 0.0 1
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214193 84970650 1 FSN8C19H20 ABC8D19E20 143.05 3.15 0.0 0.0 1
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214194 84970652 1 SN7C16H22 AB7C16D22 125.3 5.21 0.0 0.0 1