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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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134386 51688741 1 SN3O4C16H17 AB3C4D16E17 -99.51 6.21 -8.35 -0.31 0
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134387 51689007 1 N3O5H15C17 A3B5C15D17 -92.51 8.85 -8.48 -0.48 1
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134388 51689141 1 N3O4C12H18 A3B4C12D18 -122.16 2.25 0.0 0.0 -1
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134389 51689515 1 NO12C19H26 AB12C19D26 -486.13 6.74 0.0 0.0 0
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134390 51689516 1 NO12C19H27 AB12C19D27 -513.65 4.23 -9.17 -0.64 0
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134391 51689593 1 BrO5H21C22 AB5C21D22 -164.15 6.36 -9.52 -0.94 0
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134392 51689594 1 N2O5C27H28 A2B5C27D28 -159.91 6.55 -8.97 -0.7 0
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134393 51689612 1 ClN4O5H23C25 AB4C5D23E25 -77.18 5.93 -9.03 -1.13 0
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134394 51689690 1 NSO6C24H25 ABC6D24E25 -192.57 9.72 -8.73 -0.65 -1
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134395 51690149 1 NO3C30H46 AB3C30D46 -142.57 2.03 0.0 0.0 0
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134396 51690254 1 FSN2O3C26H27 ABC2D3E26F27 -107.29 5.62 -9.48 -0.7 0
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134397 51690255 1 FSN2O3C26H27 ABC2D3E26F27 -108.3 6.66 -9.34 -0.82 0
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134398 51690424 1 S2N3O5C20H27 A2B3C5D20E27 -206.77 5.92 -9.39 -0.49 -1
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134399 51690462 1 N2O6C28H41 A2B6C28D41 -243.02 5.41 0.0 0.0 0
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134400 51690957 1 NO2C9H19 AB2C9D19 -115.1 11.12 -9.49 0.58 2
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134401 51691763 1 O3N5C22H27 A3B5C22D27 52.72 21.02 -4.51 -1.39 2
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134402 51691764 1 O3N5C20H29 A3B5C20D29 26.54 18.82 -4.7 -1.14 1
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134403 51691765 1 O3N5H24C26 A3B5C24D26 0.28 1.93 0.0 0.0 2
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134404 51692404 1 SO2N6C20H28 AB2C6D20E28 10.9 9.45 -7.77 -1.14 1
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134405 51692674 1 ON2C18H25 AB2C18D25 9.39 0.9 0.0 0.0 1
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134406 51692728 1 O2N3C20H24 A2B3C20D24 13.26 5.03 0.0 0.0 0
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134407 51693084 1 O6C19H28 A6B19C28 -259.31 3.77 -9.33 -1.01 -1
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134408 51693130 1 O6C22H31 A6B22C31 -227.84 1.93 0.0 0.0 0
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134409 51693155 1 O8C17H24 A8B17C24 -351.21 2.43 -9.77 -0.07 -1
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134410 51693156 1 O8C17H23 A8B17C23 -297.24 1.4 0.0 0.0 0