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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218405 85089395 1 F3O4N5C20H32 A3B4C5D20E32 -310.77 7.08 -9.61 -0.44 0
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218406 85089397 1 N3O5C26H29 A3B5C26D29 -136.97 6.95 -8.36 -0.24 0
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218407 85089400 1 N3O6C24H37 A3B6C24D37 -300.98 7.9 -9.67 0.08 0
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218408 85089401 1 O2N3H29C30 A2B3C29D30 25.76 6.47 -9.33 -0.9 0
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218409 85089402 1 ON5C29H35 AB5C29D35 25.1 5.59 -7.95 -0.92 0
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218410 85089403 1 NO2C32H33 AB2C32D33 4.85 2.29 -8.81 0.11 0
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218411 85089404 1 NSO3C28H33 ABC3D28E33 -53.61 4.6 -9.3 -0.22 0
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218412 85089405 1 NSiO4C27H33 ABC4D27E33 -151.21 1.4 -8.31 0.03 0
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218413 85089406 1 N2O2Cl3H21C23 A2B2C3D21E23 -36.69 3.97 -9.42 -1.25 0
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218414 85089407 1 BrClN2O2C22H24 ABC2D2E22F24 -38.21 4.4 -9.46 -0.52 0
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218415 85089408 1 BrNO6C21H22 ABC6D21E22 -207.99 3.98 -9.9 -0.98 0
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218416 85089410 1 O3N10C21H24 A3B10C21D24 7.98 2.37 -8.37 -0.51 0
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218417 85089411 1 N4O7C22H32 A4B7C22D32 -291.83 3.42 -9.39 -0.69 0
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218418 85089412 2 O3C14H16 A3B14C16 -184.55 3.16 -9.39 -0.05 0
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218419 85089416 1 O3N6C25H32 A3B6C25D32 -51.54 4.51 -9.06 -0.31 0
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218420 85089417 1 N8C27H32 A8B27C32 167.47 8.19 -8.56 -0.43 0
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218421 85089418 1 O2F3C28H39 A2B3C28D39 -272.05 4.05 -8.17 0.18 0
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218422 85089419 1 ON2C32H36 AB2C32D36 81.18 2.06 -7.76 -0.12 0
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218423 85089420 1 SiO5C26H44 AB5C26D44 -252.71 3.7 -8.72 -0.56 0
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218424 85089421 1 SiO5C26H44 AB5C26D44 -333.51 3.97 -8.97 0.23 0
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218425 85089423 1 SO3C28H48 AB3C28D48 -213.9 3.71 -9.36 0.14 0
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218426 85089425 1 ClO7C24H29 AB7C24D29 -205.8 10.41 -8.85 -1.46 1
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218427 85089426 1 F3N3O5C22H23 A3B3C5D22E23 -319.29 4.17 0.0 0.0 0
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218428 85089427 1 SN3O8C20H23 AB3C8D20E23 -308.58 4.86 -9.54 -0.97 0
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218429 85089428 1 N3O4H23C28 A3B4C23D28 -50.6 12.16 -9.24 -1.83 0