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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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177353 76172554 1 O4C19H24 A4B19C24 -161.7 3.44 -9.27 -0.15 0
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177354 76172555 1 O8C15H18 A8B15C18 -310.9 4.42 -9.68 -0.64 0
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177355 76172556 2 NOC5H6 ABC5D6 -46.34 3.93 -9.22 -0.11 0
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177356 76172557 1 NO6C24H33 AB6C24D33 -162.19 2.9 -8.44 -0.72 0
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177357 76172558 1 N6O7C22H22 A6B7C22D22 -154.03 8.96 -8.92 -2.04 0
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177358 76172559 1 NO7C28H31 AB7C28D31 -180.02 3.83 -8.26 -1.19 0
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177359 76173287 1 FCl2N2H3O4C9 AB2C2D3E4F9 -85.67 3.63 -10.21 -2.19 0
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177360 76173288 1 N2F3O4H5C10 A2B3C4D5E10 -125.26 3.48 -10.07 -1.95 0
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177361 76173380 7 OC3H4 AB3C4 -263.04 3.14 -9.14 -1.31 0
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177362 76174210 1 FN2O4H17C20 AB2C4D17E20 -128.16 9.25 -10.02 -1.7 0
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177363 76175089 1 ClNSH8C13 ABCD8E13 83.64 3.58 -9.42 -1.49 0
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177364 76175293 1 O2N3C14H19 A2B3C14D19 -35.13 5.17 -8.85 -0.01 0
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177365 76175325 1 OCl2N2H12C13 AB2C2D12E13 22.0 7.17 -9.36 -2.22 0
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177366 76175611 1 ON3C15H23 AB3C15D23 -47.41 4.01 -9.27 0.28 0
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177367 76175612 1 ON3C14H23 AB3C14D23 -44.25 6.52 -9.61 -0.77 0
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177368 76175613 1 FON3C14H20 ABC3D14E20 -83.38 2.09 -9.54 -0.42 0
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177369 76175906 1 N3S3O5H19C22 A3B3C5D19E22 -98.83 7.3 -9.4 -2.18 0
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177370 76175990 1 ClN2O5H19C22 AB2C5D19E22 -114.79 10.38 -9.23 -1.8 0
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177371 76176634 1 N3O7C20H21 A3B7C20D21 -154.53 8.88 -10.05 -1.55 0
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177372 76177141 1 BrFN2O3H14C21 ABC2D3E14F21 -79.49 7.04 -9.75 -1.7 0
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177373 76177169 1 FN2O4H19C23 AB2C4D19E23 -113.25 12.26 -9.45 -1.77 0
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177374 76177170 1 FN3O6H16C22 AB3C6D16E22 -123.53 6.74 -10.03 -1.7 -1
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177375 76178226 1 ClNSO5H11C17 ABCD5E11F17 -92.48 7.29 0.0 0.0 0
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177376 76178417 1 SN2O4H36C38 AB2C4D36E38 -81.67 2.19 -8.4 -0.67 0
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177377 76178594 1 ClNO2F3H11C12 ABC2D3E11F12 -247.96 1.2 -10.38 -0.78 0
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177378 76178595 1 ClNO10C35H50 ABC10D35E50 -416.61 10.0 -8.67 -0.61 0
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177379 76178596 1 NO15C39H41 AB15C39D41 -577.4 12.47 -9.46 -1.39 0
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177380 76178625 1 NO16C45H71 AB16C45D71 -617.92 4.19 -8.33 -0.34 2
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177381 76178751 1 YN2C7H9 AB2C7D9 111.3 6.23 -5.38 -0.37 1
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177382 76178752 1 NOWC16H20 ABCD16E20 142.16 6.56 0.0 0.0 1
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177383 76178792 1 SO3C10H19 AB3C10D19 -149.96 2.81 0.0 0.0 -1
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177384 76178886 1 ClNS2O4H9C17 ABC2D4E9F17 -43.0 8.64 0.0 0.0 0
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177385 76179571 1 FN2O3C17H21 AB2C3D17E21 -190.3 3.94 -8.94 -0.26 0
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177386 76179572 2 NO2H8C9 AB2C8D9 -91.31 3.79 -9.01 -0.94 0
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177387 76179573 1 N2O3C19H26 A2B3C19D26 -106.97 2.34 -9.66 -1.05 1
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177388 76179833 1 NSWC7H8 ABCD7E8 178.05 4.81 0.0 0.0 0
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177390 76179931 1 N2O10H26C29 A2B10C26D29 -333.32 5.55 -9.32 -2.02 0
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177391 76180183 2 NO2H7C9 AB2C7D9 -67.56 12.16 -9.77 -1.86 0
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177392 76180184 2 NO2C9H9 AB2C9D9 -101.41 13.25 -9.77 -1.38 0
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177393 76180185 2 NO2C10H11 AB2C10D11 -110.92 13.28 -9.74 -1.4 0
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177394 76180269 1 ClS2N3O4H16C21 AB2C3D4E16F21 -72.94 7.82 -9.58 -1.96 0
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177395 76180270 1 ClS2N3O4H18C22 AB2C3D4E18F22 -79.33 5.08 -9.44 -1.87 0
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177396 76180271 1 N2O3H14C16 A2B3C14D16 -67.04 6.11 -9.84 -1.08 0
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177397 76180473 1 N2O3C15H20 A2B3C15D20 -122.28 7.54 -9.84 -1.29 0
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177398 76180555 1 Cl2N2O4H18C19 A2B2C4D18E19 -127.96 5.82 -9.49 -1.39 0
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177399 76180868 1 ClN2O4H19C20 AB2C4D19E20 -93.81 9.01 -9.46 -1.78 0
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177400 76180869 2 NO2C10H10 AB2C10D10 -84.48 9.93 -9.58 -1.65 0
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177401 76180870 2 NO2C10H10 AB2C10D10 -79.89 10.56 -9.33 -1.7 0
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177402 76181435 1 ClNO3C19H24 ABC3D19E24 -126.18 3.65 -9.07 -0.04 0
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177403 76181436 1 ClN2O6C14H21 AB2C6D14E21 -259.24 8.19 -8.75 -0.76 0