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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413361 135086309 2 NO2C9H11 AB2C9D11 -117.19 5.16 -8.62 -0.14 0
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413362 135086310 14 CH AB 74.94 2.34 -8.65 -0.04 0
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413363 135086311 1 SN2O5C29H30 AB2C5D29E30 -124.17 5.65 -8.4 -0.73 0
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413364 135086312 1 NOSiC13H23 ABCD13E23 -72.07 0.31 -8.4 0.53 0
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413365 135086313 1 SiO2C22H26 AB2C22D26 -7.78 2.05 -9.22 -0.14 0
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413366 135086314 1 OSi2C19H32 AB2C19D32 -26.13 2.18 -9.12 0.45 0
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413367 135086315 1 O4C7H10 A4B7C10 -167.12 5.34 -10.18 0.21 0
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413368 135086316 1 SO2C15H22 AB2C15D22 -83.27 2.41 -9.1 -0.94 0
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413369 135086317 1 ClFC7H12 ABC7D12 -67.72 1.92 -10.51 0.79 0
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413370 135086319 1 NO3C13H23 AB3C13D23 -159.72 1.06 -9.62 -0.09 0
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413371 135086320 1 SO3H20C21 AB3C20D21 -34.92 4.8 -7.9 -0.27 0
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413372 135086321 1 ClNSO2F5H7C13 ABCD2E5F7G13 -257.11 5.03 -9.65 -1.1 -2
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413373 135086322 1 BClMoO2N6C18H23 ABCD2E6F18G23 129.46 8.49 0.0 0.0 0
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413374 135086323 1 NSO3C14H17 ABC3D14E17 -40.41 3.91 -9.65 -0.48 0
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413375 135086324 1 OSi2C17H24 AB2C17D24 -28.39 2.83 -9.3 0.47 0
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413376 135086325 1 BrOH11C15 ABC11D15 24.39 2.16 -8.73 -0.63 0
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413377 135086326 1 OCl2H10C15 AB2C10D15 2.58 1.55 -8.83 -0.72 0
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413378 135086327 1 BO2C16H29 AB2C16D29 -198.95 2.66 -9.06 1.01 0
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413379 135086328 1 NO4C15H23 AB4C15D23 -177.07 2.05 -9.56 0.05 0
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413380 135086329 1 BrSiN2O3C12H21 ABC2D3E12F21 -140.33 4.7 -9.79 -0.3 0
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413381 135086330 1 NH13C15 AB13C15 78.71 3.36 -9.02 -0.2 0
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413382 135086331 1 BrSiN2O3C12H21 ABC2D3E12F21 -139.19 1.77 -9.65 -0.54 0
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413384 135086333 1 NO3C11H15 AB3C11D15 -123.2 3.46 -9.72 0.64 0
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413385 135086334 1 BrO2C20H29 AB2C20D29 -102.18 1.05 -9.35 -0.18 0
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413386 135086335 1 BrO2C22H33 AB2C22D33 -112.14 1.75 -9.34 -0.13 1
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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