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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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169040 75058400 1 ON7C22H27 AB7C22D27 73.95 17.1 -8.24 -1.06 0
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169041 75058443 1 N3O5H19C21 A3B5C19D21 -27.43 8.23 -9.93 -1.1 0
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169042 75058444 4 NOH4C5 ABC4D5 46.62 10.99 -9.9 -1.13 0
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169043 75058561 1 N4O6H100C109 A4B6C100D109 170.99 4.72 -8.76 0.0 0
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169044 75058562 1 S2Si2O5C37H48 A2B2C5D37E48 -246.71 3.68 -8.5 -0.44 0
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169045 75058765 1 NOF2C27H43 ABC2D27E43 -167.52 4.1 -9.32 -0.1 0
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169046 75059045 1 SN4O4C29H38 AB4C4D29E38 -71.0 2.48 -8.52 -0.33 1
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169047 75059293 1 ClFS2O3N5C22H24 ABC2D3E5F22G24 -37.12 4.02 0.0 0.0 0
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169048 75059294 1 ClFN2S3O5H20C23 ABC2D3E5F20G23 -148.51 9.24 -8.74 -1.52 1
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169049 75059295 1 O3N4C32H49 A3B4C32D49 -127.09 1.27 0.0 0.0 1
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169050 75059296 1 SN3O5C31H46 AB3C5D31E46 -200.31 8.29 0.0 0.0 2
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169051 75059346 1 O4N5C31H35 A4B5C31D35 -55.41 4.1 -8.65 -1.25 -1
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169052 75059347 1 FN2O6C33H34 AB2C6D33E34 -238.19 3.75 0.0 0.0 0
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169053 75059434 1 SO8C21H26 AB8C21D26 -318.06 3.45 -8.85 -0.31 1
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169054 75059458 1 O4N6C15H17 A4B6C15D17 -70.72 2.47 0.0 0.0 0
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169055 75059459 1 Na2S2O7N9H25C34 A2B2C7D9E25F34 -140.74 16.08 -8.33 -1.77 0
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169056 75059460 1 S2O7N9H27C34 A2B7C9D27E34 -13.85 6.25 -8.33 -2.32 0
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169057 75059461 1 O13H20C22 A13B20C22 -505.28 8.35 -9.18 -2.31 0
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169058 75059462 1 N2Na3S3H11O11C20 A2B3C3D11E11F20 -485.61 35.34 -8.85 -2.33 0
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169060 75059464 4 BrCH ABC 37.93 0.07 -10.14 -1.13 0
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169061 75059465 4 ClC2H3 AB2C3 -42.39 3.08 -9.91 -0.25 0
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169062 75059466 4 ClC2H3 AB2C3 -34.99 2.98 -10.38 -0.33 0
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169063 75059467 1 AsN2S2Na3H10O11C16 AB2C2D3E10F11G16 -510.42 19.9 -9.02 -1.95 0
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169064 75059468 1 SN4O6C23H36 AB4C6D23E36 -146.11 13.87 -8.49 -1.33 0
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169065 75059469 18 CH2 AB2 -62.93 0.55 -9.08 1.54 0