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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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231294 87573409 3 OC4H6 AB4C6 -111.19 7.28 -10.16 0.77 0
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231295 87573415 2 N2O3C7H13 A2B3C7D13 -267.15 3.22 -9.45 -0.38 0
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231296 87573416 1 S2N3O3F4H21C22 A2B3C3D4E21F22 -220.73 2.24 -9.02 -1.22 0
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231297 87573417 1 F2O2N4C29H30 A2B2C4D29E30 -72.75 4.4 -8.35 -0.81 0
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231298 87573418 1 OH10C11 AB10C11 103.94 0.72 -8.11 -0.94 0
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231299 87573419 1 O4F7C12H15 A4B7C12D15 -527.38 2.87 -10.44 -0.34 0
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231300 87573420 1 NP2C7O7H13 AB2C7D7E13 -393.44 6.23 -9.02 0.41 1
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231301 87573421 1 ClFO2N3H16C21 ABC2D3E16F21 -35.75 5.91 0.0 0.0 0
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231302 87573429 1 ClSO3N5C9H10 ABC3D5E9F10 -26.71 4.75 -9.18 -1.6 0
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231303 87573430 1 SO3N5C9H9 AB3C5D9E9 -22.55 3.83 -9.87 -1.45 0
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231304 87573431 1 SO7N8C33H48 AB7C8D33E48 -269.61 14.01 -9.3 -1.02 0
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231305 87573433 1 O3N5C11H11 A3B5C11D11 -27.88 2.96 -9.83 -1.28 0
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231306 87573435 1 NSi2C15H30 AB2C15D30 -15.48 5.65 0.0 0.0 0
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231307 87573436 1 NSi2C18H41 AB2C18D41 -105.31 1.05 -7.61 0.38 0
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231308 87573437 1 NSi2C18H41 AB2C18D41 -99.6 1.52 -8.13 0.8 0
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231309 87573438 1 NSi2C18H38 AB2C18D38 -26.33 5.64 0.0 0.0 0
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231310 87573442 1 O4C15H16 A4B15C16 -159.89 5.39 -9.44 -0.8 0
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231311 87573450 1 BrNO4C11H20 ABC4D11E20 -209.88 7.45 -9.7 -0.3 0
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231312 87573451 1 SiO4C14H18 AB4C14D18 -197.32 5.24 -9.52 -0.35 0
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231313 87573456 1 PSO3C15H35 ABC3D15E35 -230.94 8.84 -9.71 1.96 0
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231314 87573459 1 NSO2H13C14 ABC2D13E14 -26.72 4.13 -8.44 -0.99 0
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231315 87573461 1 N3O5C19H25 A3B5C19D25 -150.36 4.12 -8.46 -0.2 0
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231317 87573466 1 S2O4C33H38 A2B4C33D38 -101.58 18.5 -8.39 -1.12 1
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231318 87573467 1 S2O3C33H37 A2B3C33D37 -72.22 7.53 0.0 0.0 0
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231319 87573470 2 HO2C3F7 AB2C3D7 -717.08 2.81 -11.43 -1.62 0