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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413387 135086336 1 NC8H10 AB8C10 25.71 2.02 0.0 0.0 1
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413388 135086337 1 N4C13H13 A4B13C13 122.7 1.12 0.0 0.0 1
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413389 135086338 1 ClN4H10C12 AB4C10D12 122.06 2.91 0.0 0.0 1
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413390 135086339 1 ClNC8H9 ABC8D9 14.43 3.44 0.0 0.0 0
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413391 135086340 1 BrN3O3C23H28 AB3C3D23E28 -102.24 8.44 -8.81 -1.02 0
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413392 135086341 1 N2O5C24H24 A2B5C24D24 -156.15 2.61 -8.78 -1.05 0
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413393 135086342 1 N2O5H24C26 A2B5C24D26 -132.04 4.8 -8.65 -1.09 0
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413394 135086343 1 BrNO2C14H16 ABC2D14E16 -46.71 6.61 -8.41 -0.91 0
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413395 135086344 1 BrNO2H12C16 ABC2D12E16 -0.47 3.04 -8.44 -1.03 0
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413396 135086345 1 N2O6C19H22 A2B6C19D22 -190.3 5.66 -8.89 -0.79 0
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413397 135086346 1 BrNSO2H12C15 ABCD2E12F15 25.82 5.94 -8.86 -0.51 0
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413398 135086347 1 ClFO2H4C8 ABC2D4E8 -80.67 2.73 -9.97 -1.43 0
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413399 135086348 1 IN2C12H13 AB2C12D13 47.25 4.57 -8.44 -0.55 1
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413400 135086349 1 N4C13H13 A4B13C13 119.97 4.0 0.0 0.0 1
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413401 135086350 1 FN4H10C12 AB4C10D12 82.2 3.19 0.0 0.0 1
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413402 135086351 1 ClN4H10C12 AB4C10D12 119.89 3.14 0.0 0.0 0
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413403 135086352 1 BN2O2C13H23 AB2C2D13E23 -162.79 4.31 -9.14 0.85 0
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413404 135086353 1 NSO2C20H21 ABC2D20E21 9.09 6.67 -8.68 -0.6 0
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413405 135086354 1 SiO6C25H40 AB6C25D40 -242.75 15.89 -8.84 -2.15 0
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413406 135086355 1 BN2O2C16H21 AB2C2D16E21 -120.06 4.87 -8.71 0.38 0
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413407 135086356 1 FON3C22H22 ABC3D22E22 -32.07 5.48 -8.7 -0.81 1
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413408 135086357 1 ON2C13H13 AB2C13D13 26.22 3.07 0.0 0.0 0
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413409 135086358 1 NRhC17H26 ABC17D26 197.28 29.59 -8.56 -4.1 0
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413410 135086359 1 O3C14H26 A3B14C26 -151.94 2.65 -9.26 1.28 0
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413411 135086360 1 O7C10H14 A7B10C14 -314.86 5.01 -10.96 -0.12 0