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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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231009 87572440 1 N2O3H12C17 A2B3C12D17 9.05 7.85 -8.53 -1.32 0
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231010 87572447 1 N2O3C12H24 A2B3C12D24 -179.67 2.07 -9.75 0.24 0
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231011 87572448 1 N2O3C12H24 A2B3C12D24 -179.63 4.11 -10.08 0.43 0
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231012 87572449 1 NaO6C18H31 AB6C18D31 -371.87 6.35 -9.26 0.24 0
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231013 87572450 2 O3C9H16 A3B9C16 -311.14 1.77 -10.54 -0.48 0
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231014 87572453 1 O6N9C55H69 A6B9C55D69 -195.71 9.07 -7.85 -0.55 0
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231015 87572459 1 NNaS2O3C16H17 ABC2D3E16F17 -126.05 12.64 0.0 0.0 0
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231016 87572462 1 INC12H14 ABC12D14 50.88 2.04 -8.68 -1.48 0
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231017 87572464 1 BrClN3O3C16H21 ABC3D3E16F21 -93.65 10.08 -9.06 -0.77 0
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231018 87572469 1 ClO2N11C27H30 AB2C11D27E30 53.73 11.37 -9.23 -0.95 0
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231019 87572470 1 ClN2O4C22H27 AB2C4D22E27 -122.56 7.05 -8.88 -0.6 0
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231020 87572472 1 SF3O6N9C50H54 AB3C6D9E50F54 -311.38 4.38 -8.65 -1.43 0
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231023 87572475 1 N2O5H20C23 A2B5C20D23 -37.97 8.02 -9.45 -1.28 1
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231024 87572477 1 N2C11H21 A2B11C21 2.27 2.29 0.0 0.0 0
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231025 87572478 1 C13F22 A13B22 -1027.96 1.08 -11.68 -1.47 0
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231026 87572479 1 OCl3F3N5C30H33 AB3C3D5E30F33 -201.81 7.27 -8.94 -0.78 0
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231027 87572480 1 OCl3F3N5C30H33 AB3C3D5E30F33 -190.39 4.47 -8.82 -0.67 0
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231028 87572482 1 NO6C21H41 AB6C21D41 -315.79 1.34 -9.68 0.38 1
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231029 87572484 1 ClFSO2N3H14C18 ABCD2E3F14G18 18.71 6.53 0.0 0.0 0
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231030 87572485 1 ON3C14H17 AB3C14D17 9.75 5.13 -8.86 -1.1 0
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231031 87572487 1 N3O5C23H29 A3B5C23D29 -145.43 4.43 -9.35 -0.68 0
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231032 87572488 1 O2N4H24C29 A2B4C24D29 104.27 1.76 -8.18 -1.46 0
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231033 87572489 1 O2N4H24C29 A2B4C24D29 105.63 3.19 -8.33 -1.45 0
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231034 87572490 1 S2N3O3H15C19 A2B3C3D15E19 -12.0 7.83 -8.81 -1.28 0
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231035 87572491 1 NPSCl2O8C30H34 ABCD2E8F30G34 -389.49 2.72 -8.7 -0.76 0
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231036 87572494 1 NSi2C16H34 AB2C16D34 -3.13 2.29 0.0 0.0 0
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231037 87572496 1 NPSCl2O8C30H34 ABCD2E8F30G34 -377.56 1.39 -8.74 -0.8 1
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231038 87572498 1 PSO2H28C32 ABC2D28E32 46.53 11.36 0.0 0.0 0
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231039 87572499 1 PSO2H29C32 ABC2D29E32 30.14 5.83 -9.04 -0.45 0
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231040 87572500 1 SO2H26C32 AB2C26D32 31.3 5.22 -8.98 -0.49 0
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231041 87572506 1 ClON6C17H17 ABC6D17E17 111.68 3.04 -9.27 -0.98 0
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231042 87572509 1 NSi2C13H31 AB2C13D31 -72.61 1.35 -7.7 0.76 0
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231043 87572510 1 NSi2C13H31 AB2C13D31 -61.44 1.32 -8.33 0.77 0
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231044 87572512 1 NSi2C13H29 AB2C13D29 -0.79 3.71 -7.12 -1.06 0
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231045 87572513 1 NSiC12H27 ABC12D27 -34.88 1.16 -7.68 0.75 0
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231046 87572517 1 ClN2O4C21H25 AB2C4D21E25 -116.82 8.83 -8.9 -0.7 0
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231047 87572518 1 SiO8C86H134 AB8C86D134 -460.28 6.07 -8.78 -0.07 0
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231048 87572519 1 SiO8C86H134 AB8C86D134 -468.76 5.23 -8.94 -0.16 0
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231049 87572520 1 SN3O4C32H41 AB3C4D32E41 -61.31 4.8 -7.9 -0.2 0
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231050 87572521 1 SN3O4C22H33 AB3C4D22E33 -98.85 5.35 -8.12 -0.44 0
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231051 87572522 1 FO6N10C52H67 AB6C10D52E67 -253.49 6.29 -8.4 -0.49 0
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231053 87572524 1 ClO4C9H17 AB4C9D17 -223.52 3.43 -10.52 0.55 0
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231054 87572526 1 NSiC21H26 ABC21D26 115.48 1.59 0.0 0.0 0
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231055 87572527 1 O6N9C55H71 A6B9C55D71 -210.98 5.84 -8.65 -0.27 0
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231056 87572528 1 NSiC11H20 ABC11D20 28.17 6.19 0.0 0.0 0
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231057 87572532 2 BNF4C14H16 ABC4D14E16 -639.24 5.41 -9.92 -1.54 0
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231058 87572534 1 AsClOC2H3 ABCD2E3 7.61 4.75 0.0 0.0 0
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231059 87572535 1 AsClOC2H3 ABCD2E3 47.29 3.77 0.0 0.0 0
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231060 87572537 1 FSN4O5C21H29 ABC4D5E21F29 -200.95 4.57 -8.78 -0.5 0
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231061 87572541 1 NSi2C20H45 AB2C20D45 -112.75 1.25 -7.5 0.35 0
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231062 87572542 1 NSi2C20H45 AB2C20D45 -109.0 1.17 -8.15 0.77 0
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231063 87572543 1 BPO3H28C36 ABC3D28E36 -18.67 1.77 -8.37 -1.27 0
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231064 87572545 1 BrION6H14C20 ABCD6E14F20 136.43 5.31 -9.01 -3.06 0
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231065 87572547 1 NSi2C20H43 AB2C20D43 -34.59 3.55 -7.19 -1.13 1
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231066 87572549 1 IN2C7H14 AB2C7D14 26.24 3.66 0.0 0.0 0
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231067 87572550 2 NO2C19H23 AB2C19D23 -112.46 1.97 -8.7 -0.26 1
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231068 87572552 1 PN4C16H36 AB4C16D36 9.52 2.69 0.0 0.0 0
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231069 87572562 1 OF3N5H10C14 AB3C5D10E14 -85.49 6.95 -9.03 -1.5 0
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231070 87572563 1 FeSO3C9H10 ABC3D9E10 21.4 4.67 -8.32 -0.57 0
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231071 87572566 1 O20C69H122 A20B69C122 -1098.07 6.21 -9.69 0.42 0
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231072 87572567 1 NaN3O8C12H15 AB3C8D12E15 -378.1 11.23 0.0 0.0 0
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231073 87572573 1 NSO4H17C18 ABC4D17E18 -105.03 1.67 -9.04 -1.12 0
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231074 87572576 1 NSiC9H21 ABC9D21 -22.4 1.06 -8.02 0.78 0
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231075 87572578 1 SO3C8F9H9 AB3C8D9E9 -569.87 5.6 -12.08 -0.7 0
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231076 87572579 1 S2O4F9C30H31 A2B4C9D30E31 -558.55 11.77 -8.91 -0.8 0
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231077 87572584 1 NSO5C18H19 ABC5D18E19 -151.7 12.13 -9.55 -0.94 0
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231079 87572589 1 FS2O4N10C27H31 AB2C4D10E27F31 -72.74 12.26 -9.12 -1.22 0
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231080 87572591 1 BrNO2C14H18 ABC2D14E18 -36.12 19.04 -6.89 -1.67 0
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231081 87572592 1 SN8O13H48C49 AB8C13D48E49 -413.65 11.53 -8.52 -1.04 0
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231082 87572593 1 NSO3C15H19 ABC3D15E19 -77.21 8.49 -8.87 -0.27 0
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231083 87572595 1 O8N9C51H67 A8B9C51D67 -289.57 7.43 -8.04 -0.32 0
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231084 87572597 2 ON2C13H15 AB2C13D15 -3.52 5.14 -8.69 -1.12 0
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231085 87572598 2 NO2C19H24 AB2C19D24 -133.58 4.53 -8.72 -0.28 0
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231086 87572599 2 NO2C19H24 AB2C19D24 -133.57 4.42 -8.74 -0.3 0
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231087 87572600 1 F3N7O10C48H60 A3B7C10D48E60 -551.83 9.16 -8.44 -0.39 0