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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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246000 103034655 1 NO3C16H23 AB3C16D23 -131.82 5.84 -8.53 -0.46 0
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246001 103034664 1 NO3C15H23 AB3C15D23 -123.49 6.62 -9.12 -0.6 0
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246002 103035251 1 BrClO2C14H20 ABC2D14E20 -107.33 2.35 -9.65 -0.51 0
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246003 103035448 1 O3C17H32 A3B17C32 -181.6 4.58 -9.2 0.48 0
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246004 103035478 1 ClNO2C13H20 ABC2D13E20 -109.25 5.62 -8.75 -0.07 0
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246005 103035486 1 N2O2C11H20 A2B2C11D20 -76.75 5.32 -9.57 0.56 0
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246006 103035490 1 O2C15H30 A2B15C30 -153.16 2.91 -9.78 2.32 0
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246007 103035570 3 OC4H8 AB4C8 -159.83 2.36 -9.45 2.03 0
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246008 103035574 1 O3C12H26 A3B12C26 -179.88 1.99 -9.51 2.13 0
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246009 103035664 1 NOC10H21 ABC10D21 -53.65 2.47 -8.86 2.37 0
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246010 103035677 1 BrNOSC12H20 ABCDE12F20 -37.04 3.28 -9.14 -0.37 0
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246011 103035681 1 NO2C13H29 AB2C13D29 -132.28 3.16 -8.61 2.21 0
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246012 103035832 1 ON2C18H40 AB2C18D40 -102.1 2.13 -8.25 2.55 0
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246013 103035852 1 ON2C18H38 AB2C18D38 -92.9 2.38 -8.06 2.51 0
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246014 103035854 1 ON2C17H36 AB2C17D36 -85.94 2.3 -8.28 2.57 0
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246015 103036059 1 NO2C14H31 AB2C14D31 -137.2 2.16 -8.54 2.23 0
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246016 103036117 1 NO3C14H29 AB3C14D29 -172.32 2.29 -9.09 1.97 0
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246017 103036124 1 NO2C16H33 AB2C16D33 -145.21 3.77 -8.96 2.18 0
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246018 103036125 1 NO2C17H35 AB2C17D35 -142.56 3.77 -8.63 2.21 0
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246019 103036126 1 NO2C18H37 AB2C18D37 -149.36 2.25 -8.75 2.46 0
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246020 103036127 1 NO2C16H33 AB2C16D33 -136.3 2.39 -8.41 2.21 0
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246021 103036128 1 NO2C16H33 AB2C16D33 -147.82 2.66 -8.9 2.24 0
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246022 103036219 1 NO2C16H23 AB2C16D23 -53.5 5.95 -8.48 0.12 0
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246023 103036385 1 NO4C15H23 AB4C15D23 -177.89 1.64 -8.56 0.45 0
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246024 103036448 1 O2N3C16H27 A2B3C16D27 -72.94 2.97 -8.36 0.21 0