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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217124 85087292 2 O2C10H15 A2B10C15 -187.58 4.94 -10.21 -0.91 0
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217125 85087293 2 O2C10H15 A2B10C15 -158.34 7.76 -9.27 -0.94 0
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217126 85087295 1 ON2C22H26 AB2C22D26 1.62 1.33 -8.45 -0.52 0
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217127 85087296 1 O3C21H34 A3B21C34 -184.7 1.0 -9.44 0.8 0
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217128 85087299 1 ClO2N4C16H19 AB2C4D16E19 -36.8 4.32 -9.25 -0.67 0
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217129 85087300 1 BrO6C12H15 AB6C12D15 -268.5 5.45 -10.73 -0.66 0
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217130 85087301 1 OCl2N4C15H20 AB2C4D15E20 -25.86 5.06 -8.64 -0.75 0
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217131 85087302 1 N3O3H17C19 A3B3C17D19 -12.58 3.48 -8.89 -0.97 0
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217132 85087303 1 O2N5H17C18 A2B5C17D18 109.29 10.93 -8.88 -1.06 1
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217133 85087304 1 O3N5C16H24 A3B5C16D24 -95.37 1.88 0.0 0.0 0
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217134 85087305 1 ON5C19H21 AB5C19D21 88.97 3.2 -9.13 -1.61 0
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217135 85087307 1 NO4C19H29 AB4C19D29 -197.06 1.96 -8.74 0.18 0
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217136 85087310 1 OSN5C16H25 ABC5D16E25 6.24 1.65 -8.73 -0.75 0
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217137 85087311 1 NO3C20H33 AB3C20D33 -157.67 3.56 -8.95 0.41 0
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217138 85087312 1 NOC23H29 ABC23D29 -33.14 2.09 -8.38 0.21 0
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217139 85087313 1 ClO2F3N3C13H13 AB2C3D3E13F13 -202.31 7.92 -9.7 -0.95 0
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217140 85087316 1 ClOSN3C16H18 ABCD3E16F18 30.6 4.92 -8.69 -1.25 0
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217141 85087317 1 Br2N2C11H16 A2B2C11D16 -4.39 2.69 -8.82 -0.75 0
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217142 85087318 1 BrNOC17H22 ABCD17E22 -36.4 2.83 -9.61 -0.36 0
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217143 85087319 1 O2F3N4C15H17 A2B3C4D15E17 -212.42 5.25 -9.83 -0.28 0
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217144 85087321 1 ISiC13H25 ABC13D25 -33.36 2.6 -9.09 -0.4 0
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217145 85087323 1 O3N4H16C18 A3B4C16D18 21.25 12.28 -9.0 -1.98 0
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217146 85087324 1 N2O3C20H20 A2B3C20D20 -53.47 5.17 -8.62 -0.51 0
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217147 85087326 1 FSO3C18H21 ABC3D18E21 -177.38 6.57 -9.98 -0.88 0
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217148 85087327 1 O5C19H28 A5B19C28 -239.77 5.25 -9.85 -0.35 0