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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398214 135032331 3 H9C10 A9B10 115.97 1.17 0.0 0.0 0
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398215 135032333 1 N2O5C19H32 A2B5C19D32 -168.52 5.14 -8.57 -0.21 0
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398216 135032334 3 H8C11 A8B11 254.19 0.39 -8.35 -0.8 0
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398217 135032341 1 N2S2O3H14C15 A2B2C3D14E15 -26.72 6.5 -8.92 -1.89 0
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398218 135032342 1 NS2O7C19H23 AB2C7D19E23 -244.3 6.6 -8.85 -1.76 0
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398219 135032343 1 ClNS2O4C16H16 ABC2D4E16F16 -126.72 6.05 -8.82 -1.8 0
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398220 135032344 1 NS2O6C19H21 AB2C6D19E21 -217.03 6.2 -9.41 -1.28 0
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398221 135032347 1 NS3O4H17C19 AB3C4D17E19 -83.59 6.5 -8.81 -1.77 0
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398222 135032349 1 N2S2O5C17H20 A2B2C5D17E20 -129.3 6.49 -8.89 -1.78 0
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398223 135032351 1 ClRuN2P2H10 ABC2D2E10 124.01 1.74 0.0 0.0 0
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398224 135032352 2 O3H18C19 A3B18C19 -104.18 1.13 -9.1 -0.79 0
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398225 135032353 2 O3H18C19 A3B18C19 -110.71 7.44 -9.06 -1.05 0
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398226 135032358 2 O3S6C21H22 A3B6C21D22 -236.33 7.89 -7.76 -1.08 0
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398227 135032362 1 NO4C16H21 AB4C16D21 -92.48 3.53 -9.99 0.38 0
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398228 135032365 1 SSiO5C24H40 ABC5D24E40 -280.44 2.88 -8.63 -0.8 0
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398229 135032371 1 NO2C22H23 AB2C22D23 -14.36 4.88 -7.7 0.0 0
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398230 135032379 1 O2N4C33H38 A2B4C33D38 -11.44 3.32 -8.33 0.0 0
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398231 135032381 1 BrSiN3O4C32H46 ABC3D4E32F46 -220.41 2.86 -8.48 -0.41 0
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398232 135032389 1 NSO2C8H9 ABC2D8E9 -12.11 5.69 -8.59 -0.59 0
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398233 135032392 1 NO3C18H21 AB3C18D21 -30.18 1.39 -8.18 -0.05 -2
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398234 135032395 2 NO2C9H11 AB2C9D11 -93.99 2.01 -9.69 -0.37 0
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398235 135032406 1 OC12H22 AB12C22 -66.29 1.28 -9.46 1.43 0
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398236 135032413 2 BrO7H29C36 AB7C29D36 -253.46 5.49 -8.8 -1.04 0
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398237 135032415 1 O2S13C40H44 A2B13C40D44 -63.48 4.97 -7.74 -0.71 1
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398238 135032421 1 NOSH12C15 ABCD12E15 26.33 3.59 0.0 0.0 0
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398239 135032431 1 O2H18C21 A2B18C21 15.99 2.93 -9.02 -0.63 0
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398240 135032432 1 OSH18C21 ABC18D21 50.77 3.07 -8.97 -0.95 0
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398241 135032437 1 BrOH19C23 ABC19D23 48.29 2.44 -9.09 -0.79 0
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398242 135032451 1 O2N4H26C27 A2B4C26D27 60.5 7.01 -8.87 -0.21 0
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398243 135032453 1 NO6H11C14 AB6C11D14 -207.03 3.94 -9.99 -1.56 0
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398244 135032458 1 NO2F3H14C16 AB2C3D14E16 -204.11 4.77 -9.99 -0.99 0
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398245 135032469 1 NO2C19H19 AB2C19D19 -51.23 4.18 -9.39 -0.87 0
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398246 135032474 1 O4C17H20 A4B17C20 -139.74 4.27 -9.24 -0.63 0
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398247 135032491 1 N2H24C25 A2B24C25 90.21 2.3 -8.35 0.07 0
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398248 135032494 1 F5H11C16 A5B11C16 -173.74 1.92 -9.37 -1.15 0
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398249 135032496 1 N2O2C15H18 A2B2C15D18 32.86 6.79 -10.01 -0.79 0
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398250 135032497 1 NO2H7C11 AB2C7D11 -3.78 6.25 -9.91 -1.54 0
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398251 135032502 1 OF3C17H17 AB3C17D17 -172.71 3.27 -8.8 -0.49 0
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398252 135032503 1 SO3H12C20 AB3C12D20 -21.06 4.7 -8.79 -1.5 0
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398253 135032504 1 O2N3H13C21 A2B3C13D21 67.5 10.03 -9.1 -1.55 0
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398254 135032505 1 FO2N3H12C21 AB2C3D12E21 17.22 6.61 -9.27 -1.9 0
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398255 135032506 1 ClO2N3H12C21 AB2C3D12E21 54.01 6.51 -9.28 -1.9 0
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398256 135032513 1 O3H16C17 A3B16C17 -82.43 4.32 -9.52 -0.6 -1
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398258 135032543 4 OC5H5 AB5C5 -118.56 2.33 -9.66 -0.56 0
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398259 135032560 1 O3C10H12 A3B10C12 -84.94 1.02 -8.83 -0.08 0
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398260 135032562 1 O2F4H14C17 A2B4C14D17 -198.61 2.75 -8.52 -0.71 1
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398261 135032570 1 O3C8H9 A3B8C9 -34.49 2.6 0.0 0.0 0
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398262 135032571 1 NO5C14H17 AB5C14D17 -194.69 1.84 -10.36 -1.06 0
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398263 135032573 2 NOC10H10 ABC10D10 9.86 3.68 -8.4 -0.74 0
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398264 135032576 1 O16C29H36 A16B29C36 -673.93 2.0 -9.88 -0.1 0