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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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164620 74427021 1 SF2N3O3H21C24 AB2C3D3E21F24 -141.7 4.42 -8.66 -1.05 0
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164622 74427070 2 O2N3C9H11 A2B3C9D11 -76.34 3.26 -9.15 -0.61 0
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164623 74427108 1 O4N5C37H45 A4B5C37D45 -125.02 5.16 -9.17 -0.03 0
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164624 74427307 1 NS2O3C29H35 AB2C3D29E35 -60.23 1.91 -8.75 -0.44 0
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164625 74427490 1 FSO3N5C36H44 ABC3D5E36F44 -114.06 4.26 -8.94 -0.41 0
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164626 74427491 1 FSO3N6C38H41 ABC3D6E38F41 -56.3 5.24 -8.44 -0.89 0
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164627 74427506 1 O9N13C53H69 A9B13C53D69 -266.1 7.13 -8.79 -1.77 -1
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164628 74427714 1 O3C20H29 A3B20C29 -147.24 2.7 0.0 0.0 0
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164629 74428200 3 OC10H16 AB10C16 -188.77 1.25 -9.07 0.48 0
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164630 74428528 1 O15N16C41H74 A15B16C41D74 -733.16 13.96 -9.48 -0.22 0
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164631 74428529 1 S2F5O10N19C58H74 A2B5C10D19E58F74 -568.5 3.53 -8.79 -1.2 0
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164632 74428534 1 N4O4C25H28 A4B4C25D28 -46.76 2.91 -8.56 -1.28 0
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164634 74429592 1 SN2F3O5C26H33 AB2C3D5E26F33 -339.43 10.66 -9.23 -0.75 0
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164635 74429593 1 ClN5O6C36H54 AB5C6D36E54 -319.95 5.36 -8.7 -0.35 0
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164636 74429594 1 FO4N5C33H50 AB4C5D33E50 -237.74 3.59 -8.56 -0.06 0
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164638 74429596 1 SiO9C72H88 AB9C72D88 -367.39 5.8 -8.85 -0.77 0
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164639 74429597 1 O9C38H46 A9B38C46 -353.06 10.68 -9.31 -0.93 0
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164642 74430372 1 N12O16C55H84 A12B16C55D84 -748.01 8.79 -8.89 -0.25 0
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164643 74430569 1 SO6N7C41H49 AB6C7D41E49 -140.87 12.78 -8.4 -0.94 0
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164645 74430726 1 SN5C16H17 AB5C16D17 110.8 3.59 -8.8 -1.08 0
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164646 74430727 1 SN6C19H24 AB6C19D24 102.53 5.02 -8.7 -1.01 0
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164647 74430728 1 O4N5C32H35 A4B5C32D35 -119.8 2.47 -8.67 -0.26 0
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164648 74431124 1 ClN3O3C17H18 AB3C3D17E18 -87.69 1.1 -10.38 -1.8 0
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164649 74431281 1 NSO3C23H35 ABC3D23E35 -129.89 8.84 -9.33 -0.05 0
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164651 74432042 1 FN3O3C29H34 AB3C3D29E34 -149.04 4.37 -9.27 -0.78 0
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164652 74432385 1 BrO2F4H17C18 AB2C4D17E18 -225.79 4.37 -9.55 -1.45 0
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164653 74432394 1 S2N7O10C44H57 A2B7C10D44E57 -357.23 5.88 -8.72 -0.94 0
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164654 74432563 2 O2C7H11 A2B7C11 -188.31 2.15 -9.28 0.7 0
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164655 74433135 1 NPO6C16H28 ABC6D16E28 -338.78 5.27 -8.82 0.05 0
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164656 74433153 1 O2N7C23H29 A2B7C23D29 -4.41 5.29 -8.4 -0.46 0
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164658 74433174 1 S2N7O12C38H55 A2B7C12D38E55 -458.33 5.64 -8.86 -1.11 0
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164660 74433485 1 Cl2S2O4N6C21H24 A2B2C4D6E21F24 -99.19 3.47 -8.62 -0.88 0
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164662 74434405 1 OSN5C15H21 ABC5D15E21 -8.14 0.77 -8.17 -0.42 0
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164663 74434439 1 O7H14C15 A7B14C15 -267.81 1.92 -9.0 -0.34 0
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164664 74434440 1 N8O9C40H74 A8B9C40D74 -535.06 15.66 -9.77 -0.4 0
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164666 74435395 1 N2O3S3C20H24 A2B3C3D20E24 -63.57 3.41 -8.58 -1.53 0
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164667 74435396 1 NS2O3C17H19 AB2C3D17E19 -82.94 8.17 -9.24 -1.64 0
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164669 74435720 1 O3N8C31H46 A3B8C31D46 -67.45 2.5 -8.4 -0.65 0
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164670 74435788 1 FO2N5C28H30 AB2C5D28E30 -18.48 7.93 -8.41 -1.33 0
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164671 74435789 1 ON2C25H34 AB2C25D34 -42.57 3.35 -8.59 -0.01 0
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164673 74436016 1 NO6C27H29 AB6C27D29 -202.96 7.04 -9.17 -0.37 0
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164675 74436581 1 FeNP2O4C55H63 ABC2D4E55F63 143.74 17.59 -5.18 -2.04 0
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164676 74436582 1 NP2O4C50H58 AB2C4D50E58 -56.86 5.81 0.0 0.0 0
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164677 74436583 1 NO4C20H31 AB4C20D31 -197.98 4.02 -9.85 -0.11 0
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164678 74436584 1 O2C15H22 A2B15C22 -67.12 3.62 -9.16 -0.01 0
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164679 74436639 1 SN4O6C34H44 AB4C6D34E44 -195.76 8.17 -9.16 -0.28 0
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164680 74436749 1 N6O6C41H68 A6B6C41D68 -293.91 7.77 -9.26 -0.64 0
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164682 74437335 1 O6N7C44H73 A6B7C44D73 -287.14 3.73 -8.66 -0.72 0
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164683 74437336 1 F2N9C23H23 A2B9C23D23 72.47 8.75 -8.61 -1.14 0
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164684 74437337 2 N2O2S2C13H13 A2B2C2D13E13 -45.92 2.25 -8.62 -1.26 0
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164685 74437413 1 N2O2F3C21H27 A2B2C3D21E27 -249.99 9.35 -8.5 -0.06 0
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164687 74438315 1 O4N7C17H29 A4B7C17D29 -95.62 6.93 -8.75 -0.23 0
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164688 74438867 1 O6C25H26 A6B25C26 -189.28 1.08 -8.96 -0.54 0
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164689 74439571 1 NO3C21H25 AB3C21D25 -78.12 3.03 -9.29 0.12 0
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164690 74439646 1 ClOSN2H11C12 ABCD2E11F12 72.86 3.42 -9.07 -1.17 0
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164691 74439851 1 PSSiO2C25H29 ABCD2E25F29 -113.58 5.03 -8.52 -0.14 0
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164693 74440225 1 NSO4C19H29 ABC4D19E29 -183.57 5.0 -9.51 0.16 0
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164694 74440226 1 O4C21H24 A4B21C24 -127.89 3.25 -9.59 -0.35 0
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164697 74440680 1 NaS2N4O12C48H61 AB2C4D12E48F61 -459.84 34.05 -8.43 -2.32 0
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164699 74440762 1 SeO2N5C19H19 AB2C5D19E19 89.51 2.38 -8.78 -1.02 -2
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164700 74441024 1 MgN4O5C55H74 AB4C5D55E74 82.37 7.83 -7.36 -1.86 0
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164702 74441382 1 NSO4C12H13 ABC4D12E13 -147.75 6.02 -9.19 -0.63 0
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164703 74441383 1 NSO2C6H11 ABC2D6E11 -85.47 9.29 -9.77 -0.77 1
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164704 74441384 1 FN3O3C22H23 AB3C3D22E23 -41.18 3.93 0.0 0.0 1
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164705 74441994 1 ON4C25H25 AB4C25D25 82.11 4.78 0.0 0.0 0
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164706 74442055 1 SF3N3O4C16H20 AB3C3D4E16F20 -280.35 4.15 -8.9 -1.15 0
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164707 74442056 1 SBr2N3O4C15H19 AB2C3D4E15F19 -111.68 1.96 -8.79 -1.2 1
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164708 74442057 1 SO4N6C15H19 AB4C6D15E19 -93.43 3.05 0.0 0.0 1
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164709 74442079 1 SO3N6C20H27 AB3C6D20E27 -60.64 2.52 0.0 0.0 0
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164710 74442080 1 O2S2N5C21H25 A2B2C5D21E25 -10.53 7.41 -8.46 -0.62 0
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164711 74442227 1 N3O4C27H29 A3B4C27D29 -122.74 3.7 -9.36 -1.73 0
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164712 74442228 1 N2O3H22C25 A2B3C22D25 -12.87 4.54 -9.15 -1.53 1
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164713 74442306 1 O3N6H15C19 A3B6C15D19 38.68 1.87 0.0 0.0 -1
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164714 74442578 1 NO6H24C30 AB6C24D30 -14.86 2.45 0.0 0.0 0
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164715 74442602 1 N3O3C17H27 A3B3C17D27 -106.14 2.59 -8.58 1.17 0
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164716 74442701 2 N2O2C9H11 A2B2C9D11 -99.7 6.06 -9.32 -0.65 0
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164717 74442726 1 SO3N4C24H24 AB3C4D24E24 10.73 3.22 -9.18 -1.19 0
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164718 74443091 2 ON3C11H13 AB3C11D13 33.12 6.4 -9.54 -1.4 0
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164719 74443141 1 O3N4C20H22 A3B4C20D22 -32.28 4.63 -9.01 -0.37 0
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164720 74443864 1 N2O7C26H34 A2B7C26D34 -297.69 6.61 -8.99 -0.72 0
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164721 74443920 1 ClNO7C22H26 ABC7D22E26 -283.62 5.59 -8.97 -1.1 2
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164722 74443921 1 O2N5C19H33 A2B5C19D33 -76.71 0.95 -8.81 -0.74 1
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164723 74443922 1 O2N5C19H32 A2B5C19D32 -77.65 3.65 0.0 0.0 1
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164724 74443923 1 O4N6C15H25 A4B6C15D25 -133.61 5.11 0.0 0.0 0
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164725 74443924 1 O4N6C15H24 A4B6C15D24 -140.25 6.44 -9.33 -0.77 2
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164726 74443925 1 O2N5C20H25 A2B5C20D25 -18.97 16.58 -7.83 -0.59 1
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164727 74443926 1 O3N5C22H30 A3B5C22D30 -76.22 2.67 0.0 0.0 2
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164728 74443927 1 ClO2N5C22H30 AB2C5D22E30 -35.01 11.5 -6.78 0.18 1
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164729 74443928 1 O3N5C22H30 A3B5C22D30 -76.47 2.41 0.0 0.0 1
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164730 74443996 1 OF2N4C22H29 AB2C4D22E29 -75.96 5.91 0.0 0.0 0
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164731 74443997 1 SO2F3N6H17C18 AB2C3D6E17F18 -128.67 7.07 -9.5 -1.64 1
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164732 74444193 1 ClSN6C20H22 ABC6D20E22 139.46 5.81 0.0 0.0 -1
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164733 74444196 1 SN2O4H15C19 AB2C4D15E19 -13.67 3.9 0.0 0.0 1
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164734 74444197 1 SN6O6C20H27 AB6C6D20E27 -177.82 8.49 0.0 0.0 1
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164735 74444344 1 OSN4C21H27 ABC4D21E27 64.23 12.8 0.0 0.0 1
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164736 74444345 1 N3O3C26H36 A3B3C26D36 -88.23 4.19 0.0 0.0 -1
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164737 74444521 1 SN4O6H17C18 AB4C6D17E18 -63.56 8.48 0.0 0.0 0
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164739 74444934 1 SO2N4C26H32 AB2C4D26E32 2.71 9.29 -8.53 -1.44 0
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164742 74446068 1 N2O2C21H27 A2B2C21D27 -15.45 5.58 0.0 0.0 1
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164743 74446069 1 OSF2N4C19H23 ABC2D4E19F23 -41.73 4.61 0.0 0.0 0