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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138988 52455342 1 SO3N4C21H31 AB3C4D21E31 -89.01 2.52 0.0 0.0 0
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138989 52455614 1 SN3O5C23H33 AB3C5D23E33 -170.44 8.26 -8.6 -0.49 0
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138990 52455615 1 FO2N5C21H32 AB2C5D21E32 -132.38 8.51 -9.86 -0.67 0
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138991 52455631 1 N3O4C19H23 A3B4C19D23 -73.29 4.09 -8.97 -0.76 0
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138992 52456214 1 NS2C23H27 AB2C23D27 21.23 3.66 -8.42 -0.46 0
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138993 52456266 3 NOC8H9 ABC8D9 -105.22 4.98 -9.17 -0.66 1
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138994 52456400 1 NO3C16H34 AB3C16D34 -151.48 2.31 0.0 0.0 0
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138995 52456401 1 NO3C16H33 AB3C16D33 -173.59 1.17 -8.46 1.46 1
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138996 52456402 1 NO3C16H34 AB3C16D34 -149.17 3.05 0.0 0.0 0
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138997 52456403 1 NO3C16H33 AB3C16D33 -175.21 1.2 -8.62 1.48 1
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138998 52456404 1 NO3C16H34 AB3C16D34 -156.12 3.4 0.0 0.0 0
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138999 52456405 1 NO3C16H33 AB3C16D33 -177.04 3.29 -8.74 1.73 1
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139000 52456448 1 NO3C21H30 AB3C21D30 -83.87 3.04 0.0 0.0 1
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139001 52456604 1 N3O3C22H30 A3B3C22D30 -59.92 4.05 0.0 0.0 0
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139002 52456605 1 N3O3C22H29 A3B3C22D29 -76.3 5.0 -8.78 -0.56 0
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139003 52456797 1 NSO3C16H17 ABC3D16E17 -99.23 6.29 -9.58 -0.55 -1
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139004 52456798 1 NSO3C16H16 ABC3D16E16 -29.06 1.34 0.0 0.0 0
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139005 52456799 1 NSO3C16H17 ABC3D16E17 -94.12 6.35 -9.75 -0.56 0
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139006 52456845 1 NSO3C17H19 ABC3D17E19 -108.06 6.94 -9.54 -0.44 -1
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139007 52456846 1 NSO3C17H18 ABC3D17E18 -39.83 2.18 0.0 0.0 0
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139008 52457356 1 N3O4C23H29 A3B4C23D29 -139.96 5.48 -8.43 -0.08 0
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139009 52457357 1 N4O5C22H26 A4B5C22D26 -148.02 4.56 -8.23 -0.43 0
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139010 52457358 1 N3O4C18H21 A3B4C18D21 -113.39 2.88 -8.6 -0.12 0
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139011 52457359 1 N3O3C19H27 A3B3C19D27 -121.34 2.93 -8.12 0.14 -1
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139012 52457602 1 ClNSO4H15C17 ABCD4E15F17 -76.69 6.89 0.0 0.0 1