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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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