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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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222186 85295105 3 NOC3H3 ABC3D3 -42.85 1.46 -9.31 -1.42 0
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222187 85295106 1 NO3C11H13 AB3C11D13 -84.49 5.77 -9.9 -0.18 0
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222188 85295110 1 FO2C12H13 AB2C12D13 -103.73 0.62 -9.78 -0.17 0
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222189 85295114 1 OC14H24 AB14C24 -74.65 3.63 -9.59 0.73 0
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222190 85295116 1 ClOC12H13 ABC12D13 23.28 3.69 -9.86 -0.14 0
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222191 85295118 1 O2N5C8H11 A2B5C8D11 2.03 9.52 -9.96 -1.41 0
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222192 85295131 1 ON2C12H22 AB2C12D22 -64.33 4.58 -9.09 0.51 1
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222194 85295138 1 NOC13H25 ABC13D25 -84.75 3.38 -9.24 1.13 0
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222195 85295140 1 O3N4C8H12 A3B4C8D12 -43.31 5.88 -9.92 -0.08 0
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222196 85295142 1 SN2O2C9H14 AB2C2D9E14 -104.1 6.0 -9.1 -0.07 0
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222197 85295149 1 NO2C12H23 AB2C12D23 -79.83 2.7 -8.99 0.51 0
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222198 85295156 1 O4C11H18 A4B11C18 -167.72 2.24 -10.2 0.37 0
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222199 85295157 1 O4C11H18 A4B11C18 -170.25 1.69 -10.15 0.78 0
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222200 85295177 4 NC3H4 AB3C4 49.44 1.53 -8.76 -0.53 0
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222201 85295179 1 OC15H20 AB15C20 -51.54 2.44 -9.34 0.27 0
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222202 85295182 1 ClO2C11H17 AB2C11D17 -100.37 1.98 -9.86 -0.12 0
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222203 85295187 1 NOS2C9H15 ABC2D9E15 -34.63 3.4 -8.47 -0.34 0
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222204 85295200 1 NOC14H21 ABC14D21 -44.43 3.95 -7.98 0.63 0
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222205 85295201 1 PO4C9H17 AB4C9D17 -229.28 3.55 -9.81 -0.25 0
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222206 85295202 4 OC3H3 AB3C3 -139.18 6.2 -9.79 -0.38 0
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222208 85295208 1 O3C13H16 A3B13C16 -66.92 1.85 -8.0 0.18 0
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222209 85295209 1 O3C13H16 A3B13C16 -114.12 4.29 -9.15 -0.08 0
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222210 85295215 1 H16C17 A16B17 73.92 0.47 -9.3 0.25 1
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222211 85295225 1 ON3C12H20 AB3C12D20 39.24 6.18 0.0 0.0 0
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222212 85295229 1 O3C13H18 A3B13C18 -137.46 2.0 -8.93 0.19 0
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222213 85295231 1 O3C13H18 A3B13C18 -90.07 3.99 -9.62 0.08 0
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222214 85295240 1 NO3C12H17 AB3C12D17 -111.03 1.07 -9.05 0.28 0
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222215 85295253 1 ClO2C12H13 AB2C12D13 -28.38 3.56 -9.04 -1.07 0
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222216 85295269 1 O3C13H22 A3B13C22 -156.88 2.15 -10.02 -0.36 0
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222217 85295278 2 O3C5H6 A3B5C6 -224.87 3.0 -11.11 -1.64 0
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222218 85295302 1 F3O5C7H11 A3B5C7D11 -382.38 6.45 -10.55 0.41 0
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222219 85295316 1 NO2C14H19 AB2C14D19 -56.84 5.52 -8.63 -0.05 0
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222220 85295322 1 N2O3C12H14 A2B3C12D14 -55.07 7.58 -9.49 -1.47 0
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222221 85295326 1 O2C15H22 A2B15C22 -74.85 1.35 -9.36 0.34 0
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222222 85295342 1 N2O2C13H20 A2B2C13D20 -71.92 2.53 -9.18 0.39 0
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222224 85295373 1 O4C13H20 A4B13C20 -194.93 5.31 -9.88 0.51 0
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222226 85295379 1 NO3C13H23 AB3C13D23 -107.92 2.49 -9.42 -0.08 0
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222227 85295382 1 BO2C15H19 AB2C15D19 -110.44 3.46 -9.22 0.22 0
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222228 85295383 1 FN2O4C10H11 AB2C4D10E11 -116.62 5.9 -10.22 -1.77 0
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222229 85295384 1 N2O5C10H12 A2B5C10D12 -172.94 5.58 -10.42 -1.92 0
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222230 85295388 1 O4C13H22 A4B13C22 -203.94 1.98 -9.97 0.52 0
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222231 85295392 1 SiO2C13H26 AB2C13D26 -170.29 2.6 -9.01 0.76 0
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222232 85295393 1 OSiC14H30 ABC14D30 -126.13 1.61 -8.87 1.68 0
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222233 85295394 1 OSiC14H30 ABC14D30 -136.53 0.79 -9.29 1.02 0
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222234 85295397 1 NO5C11H17 AB5C11D17 -240.09 2.45 -9.98 0.43 0
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222235 85295413 1 O4C13H24 A4B13C24 -201.07 2.72 -9.48 0.34 0
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222236 85295415 1 OSiC15H20 ABC15D20 -33.32 3.99 -9.02 0.12 0
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222237 85295454 1 ClNO3C11H20 ABC3D11E20 -112.01 22.14 -8.15 -1.67 0
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222238 85295502 1 ON3C14H27 AB3C14D27 -33.42 2.87 -8.36 1.13 1
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222239 85295505 1 FeO2H10C13 AB2C10D13 111.63 3.37 -8.12 0.1 0