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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81987 49855444 1 N2O3C15H20 A2B3C15D20 -92.28 3.41 -9.56 -0.74 0
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81988 49855445 1 O3N9C45H49 A3B9C45D49 42.86 8.08 -8.44 -0.64 0
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81989 49855447 1 N6O6C35H42 A6B6C35D42 -184.18 4.72 -8.72 -0.6 0
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81990 49855448 1 O2N6C25H26 A2B6C25D26 48.12 6.61 -8.86 -0.72 0
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81991 49855449 1 PO7C16H29 AB7C16D29 -406.26 2.84 -9.39 0.43 0
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81992 49855450 1 PO8C16H29 AB8C16D29 -447.32 3.23 -10.14 0.33 0
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81993 49855451 1 BrPO7C16H28 ABC7D16E28 -403.48 5.36 -9.93 -0.57 0
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81994 49855453 1 PO8C16H29 AB8C16D29 -429.12 4.58 -9.99 0.47 0
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81995 49855455 1 PSF3C12O12H20 ABC3D12E12F20 -732.79 1.76 -11.22 -1.65 0
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81996 49855457 1 N5O5C23H31 A5B5C23D31 -175.21 4.49 -8.83 -0.83 0
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81997 49855458 1 O3N5C23H29 A3B5C23D29 -83.21 5.63 -8.7 -0.77 0
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81998 49855459 1 O4N5C23H27 A4B5C23D27 -87.48 4.6 -8.73 -0.6 0
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81999 49855460 1 O3N6C25H28 A3B6C25D28 -37.52 3.2 -8.73 -0.7 0
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82004 49855465 1 N3O3C34H35 A3B3C34D35 -43.77 3.92 -8.8 -0.18 0
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82005 49855466 2 NO2C8H12 AB2C8D12 -190.15 2.16 -9.12 -0.21 0
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82006 49855467 1 SN2O6C17H26 AB2C6D17E26 -275.42 8.97 -8.62 -0.29 0
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82007 49855470 1 SN2O3H20C21 AB2C3D20E21 -51.7 4.76 -9.03 -0.9 0
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82008 49855472 1 O3N6F8H24C29 A3B6C8D24E29 -365.37 5.72 -9.2 -1.07 0
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82009 49855473 1 OF5N6H23C27 AB5C6D23E27 -127.1 4.52 -9.26 -1.12 0
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82010 49855474 1 O3N6F8H24C29 A3B6C8D24E29 -360.43 3.78 -9.27 -1.13 0
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82011 49855475 1 OF5N6H23C27 AB5C6D23E27 -127.49 2.56 -9.27 -1.13 0
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82012 49855476 1 O3N6F8H24C29 A3B6C8D24E29 -378.27 9.94 -9.23 -1.18 0
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82013 49855477 1 OF5N6H23C27 AB5C6D23E27 -136.23 4.88 -9.31 -1.16 0
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82014 49855478 1 O3N6F8H24C29 A3B6C8D24E29 -379.4 5.8 -9.01 -1.0 0
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82015 49855479 1 OF5N6H23C27 AB5C6D23E27 -137.29 4.68 -9.23 -1.1 0