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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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230984 87572392 1 ClO2N9C26H32 AB2C9D26E32 7.12 10.27 -9.21 -0.93 0
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230985 87572393 1 ClO2N9C26H32 AB2C9D26E32 7.89 11.2 -9.24 -0.96 0
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230986 87572395 1 NO6C28H51 AB6C28D51 -349.52 4.92 -9.98 -0.26 0
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230987 87572401 1 FN2O8C50H53 AB2C8D50E53 -216.37 3.3 -8.79 0.08 0
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230988 87572402 2 OC9H16 AB9C16 -143.48 1.82 -9.56 0.56 0
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230989 87572403 1 Cl2N3O3C16H17 A2B3C3D16E17 -11.71 4.05 -9.7 -1.63 0
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230990 87572410 1 Cl2N3O4C23H27 A2B3C4D23E27 -135.61 4.6 -9.11 -0.97 0
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230991 87572412 1 BrFN2O7H44C45 ABC2D7E44F45 -179.93 5.34 -9.18 -0.01 0
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230992 87572413 1 BrFN2O9C23H30 ABC2D9E23F30 -404.33 8.78 -9.18 -0.47 0
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230993 87572414 1 ClNO2C15H16 ABC2D15E16 -59.67 5.65 -9.1 -0.62 0
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230994 87572415 1 N2O4C21H40 A2B4C21D40 -251.35 4.68 -9.88 0.19 0
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230995 87572416 1 ClO2N3H18C19 AB2C3D18E19 2.72 4.35 -8.26 -1.0 0
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230996 87572417 1 N2O4C21H40 A2B4C21D40 -261.04 2.19 -10.16 0.43 1
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230997 87572418 1 ON5C27H34 AB5C27D34 67.33 6.78 0.0 0.0 0
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230998 87572426 1 SN2O3C6H14 AB2C3D6E14 -143.79 1.07 -10.09 0.32 0
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230999 87572427 1 O7N10C49H64 A7B10C49D64 -226.43 4.73 -7.51 -0.15 0
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231000 87572428 1 FN2O8H51C52 AB2C8D51E52 -195.9 4.26 -8.96 -0.04 0
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231001 87572430 1 O3S4C7H18 A3B4C7D18 -157.44 3.5 -8.97 -0.2 0
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231002 87572432 1 O6N9C55H71 A6B9C55D71 -213.91 3.09 -7.91 -0.31 0
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231003 87572434 1 O13C55H108 A13B55C108 -785.71 8.17 -9.47 0.4 0
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231004 87572435 1 O13C55H108 A13B55C108 -782.9 2.5 -9.94 0.2 0
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231005 87572436 1 O13C55H108 A13B55C108 -781.05 3.92 -10.0 0.54 1
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231006 87572437 1 ON5C27H34 AB5C27D34 67.94 6.31 0.0 0.0 0
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231007 87572438 1 N2O4C21H44 A2B4C21D44 -226.52 9.85 -8.97 0.07 0
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231008 87572439 1 NNaO2C15H31 ABC2D15E31 -102.0 2.16 0.0 0.0 0
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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