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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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310335 126578974 1 NH37C55 AB37C55 230.36 1.94 -8.82 -0.87 0
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310336 126578985 2 NH18C27 AB18C27 242.81 2.81 -8.93 -1.13 0
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310337 126578994 2 NH17C25 AB17C25 225.03 2.41 -8.89 -1.02 0
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310338 126578998 2 NH17C25 AB17C25 225.15 2.2 -9.01 -0.96 0
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310339 126579001 2 NH18C27 AB18C27 242.83 2.62 -8.92 -1.13 0
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310340 126579014 4 NH8C12 AB8C12 248.51 2.5 -8.94 -1.34 0
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310341 126579040 2 NH17C25 AB17C25 225.96 2.68 -8.93 -1.1 0
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310342 126579043 2 NH17C25 AB17C25 227.91 2.48 -8.83 -1.0 0
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310343 126579057 2 NH17C25 AB17C25 224.66 2.16 -9.02 -1.0 0
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310344 126579059 1 N3H33C49 A3B33C49 235.54 1.85 -8.98 -0.89 0
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310345 126579070 1 N3H33C49 A3B33C49 237.51 4.19 -8.92 -1.12 0
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310346 126579082 1 NH35C55 AB35C55 229.48 2.73 -8.62 -0.79 0
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310347 126579085 1 NH33C51 AB33C51 211.88 2.54 -8.6 -0.76 0
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310348 126579126 1 N3H35C55 A3B35C55 259.84 3.21 -8.68 -1.23 0
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310349 126579153 1 N3H31C47 A3B31C47 224.38 3.61 -8.32 -0.74 0
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310350 126579155 2 N2H17C26 A2B17C26 257.96 1.72 -8.26 -0.62 0
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310351 126579171 2 NH17C25 AB17C25 224.85 3.38 -8.87 -0.92 0
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310352 126579178 1 FN3O5H10C11 AB3C5D10E11 -62.96 2.66 -9.47 -1.64 0
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310353 126579206 2 O4H18C27 A4B18C27 -113.88 7.97 -9.02 -0.98 0
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310354 126579211 1 O5H10C16 A5B10C16 -133.03 8.78 -9.44 -1.37 0
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310355 126579212 1 NH5O6C8 AB5C6D8 -198.17 5.7 -10.92 -1.96 0
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310356 126579220 1 ClIN2O2H8C10 ABC2D2E8F10 38.66 2.12 -9.15 -1.27 0
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310357 126579223 1 FN2O4C15H17 AB2C4D15E17 -121.73 2.45 -9.24 -0.86 0
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310358 126579224 1 O2Cl3N3C27H34 A2B3C3D27E34 -87.33 4.59 -8.57 -0.63 0
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310359 126579225 3 ClNC8H10 ABC8D10 -5.9 1.09 -8.5 -0.67 0
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310360 126579226 1 OCl2N5C25H29 AB2C5D25E29 0.28 2.09 -8.64 -0.82 0
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310361 126579230 1 O2Cl3N4C24H29 A2B3C4D24E29 -67.07 2.71 -8.35 -0.63 0
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310362 126579241 1 F2N2O5H12C13 A2B2C5D12E13 -197.81 5.04 -9.14 -1.2 0
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310363 126579255 1 OCl2F3N4C25H29 AB2C3D4E25F29 -191.33 3.53 -8.79 -0.8 0
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310364 126579279 1 SO3N6C12H12 AB3C6D12E12 78.26 6.43 -9.16 -1.23 0
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310365 126579289 1 NC15H17 AB15C17 18.03 2.4 -8.28 0.27 0
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310366 126579291 1 ClN2O2C13H15 AB2C2D13E15 5.11 2.5 -9.18 -0.62 0
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310367 126579300 1 N3O4C14H21 A3B4C14D21 -183.21 2.76 -9.67 -0.2 0
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310368 126579313 1 BrN2O3C12H13 AB2C3D12E13 -32.87 3.42 -8.39 -0.64 1
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310369 126579325 1 SN2O4C53H59 AB2C4D53E59 -54.13 3.98 0.0 0.0 0
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310370 126579334 1 PO2F4N6H15C19 AB2C4D6E15F19 -84.74 4.04 -9.02 -1.46 1
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310371 126579337 1 SF3O3N4C54H60 AB3C3D4E54F60 -130.17 10.62 0.0 0.0 0
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310372 126579363 1 N3O3C12H13 A3B3C12D13 -20.77 4.76 -9.16 -0.63 0
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310373 126579370 1 BrN2O4C14H15 AB2C4D14E15 -62.16 3.35 -9.15 -0.98 0
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310374 126579440 1 Br2N2O3H8C11 A2B2C3D8E11 4.02 3.14 -9.32 -1.51 0
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310375 126579442 1 ClION4H6C8 ABCD4E6F8 71.26 0.45 -9.9 -1.61 0
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310376 126579448 1 BrN2O3C13H13 AB2C3D13E13 -9.08 4.21 -9.11 -1.17 0
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310377 126579449 1 IO2F3N4H6C9 AB2C3D4E6F9 -124.09 0.9 -10.04 -1.74 0
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310378 126579451 1 ClIOH4N4C7 ABCD4E4F7 88.04 4.38 -9.98 -1.83 0
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310379 126579456 1 ION4H7C8 ABC4D7E8 82.11 7.06 -9.97 -1.55 0
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310380 126579463 1 SF2N3O4H9C11 AB2C3D4E9F11 -73.15 4.04 -9.32 -1.65 0
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310381 126579494 1 SF2N3O3H11C12 AB2C3D3E11F12 -113.86 3.83 -9.25 -1.06 0
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310382 126579498 1 SO5N7C24H31 AB5C7D24E31 -104.16 4.5 -8.81 -0.62 0
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310383 126579525 1 F2N3O3H9C12 A2B3C3D9E12 -61.15 1.38 -9.52 -1.16 0
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310384 126579542 1 SF2N2O4H10C12 AB2C2D4E10F12 -154.36 4.77 -9.54 -1.34 0