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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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169622 75127399 1 O2N4C21H24 A2B4C21D24 -7.05 8.68 -8.73 -0.82 0
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169623 75127400 1 N2S2O5H20C23 A2B2C5D20E23 -82.55 3.86 -8.34 -1.37 0
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169624 75127401 1 FSN4O4C23H33 ABC4D4E23F33 -217.99 7.27 -9.14 -1.31 0
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169625 75127711 1 BrN2O2C18H23 AB2C2D18E23 -68.49 5.49 -9.29 -0.61 0
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169626 75127712 2 ClNOC9H11 ABCD9E11 -87.97 6.39 -9.28 -0.71 0
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169627 75127849 1 O4N5C20H25 A4B5C20D25 -97.16 4.16 -9.62 -0.47 0
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169628 75127850 1 ClN4O4C19H27 AB4C4D19E27 -170.0 5.85 -9.15 -0.27 0
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169629 75127981 5 NOC4H5 ABC4D5 -185.27 7.08 -9.69 -1.53 0
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169630 75128503 1 ClSN2O6H19C22 ABC2D6E19F22 -177.13 3.05 -9.16 -1.34 0
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169631 75128504 1 SN2O6H22C26 AB2C6D22E26 -141.21 5.89 -8.73 -1.49 0
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169632 75128800 2 NO2H11C12 AB2C11D12 -76.06 4.74 -8.22 -1.0 0
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169633 75129996 1 ClO2N3C21H22 AB2C3D21E22 -43.07 6.24 -8.82 -1.09 0
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169634 75130180 1 SO4N7H17C20 AB4C7D17E20 13.72 19.99 -9.51 -2.09 0
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169635 75130181 1 SO3N7H21C22 AB3C7D21E22 35.13 19.06 -9.53 -2.11 0
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169636 75130182 1 ClSO3N7H14C19 ABC3D7E14F19 54.27 5.81 -9.49 -2.51 0
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169637 75130183 1 SO3N7C22H25 AB3C7D22E25 -37.3 5.23 -9.02 -1.19 0
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169638 75130326 1 N3O4C27H29 A3B4C27D29 -92.64 4.9 -8.97 -0.33 0
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169639 75130327 1 N3O5H21C22 A3B5C21D22 -95.47 3.1 -8.61 -0.73 0
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169640 75130328 2 NO2C12H12 AB2C12D12 -108.58 3.27 -8.59 -0.12 0
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169641 75130354 2 NO2C11H12 AB2C11D12 -116.63 5.12 -8.55 -0.06 0
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169642 75130926 1 O17C44H70 A17B44C70 -789.86 7.41 -9.04 0.28 0
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169643 75130927 2 O13C29H47 A13B29C47 -1210.62 10.26 -9.31 -0.28 0
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169644 75131098 2 N2O2C11H13 A2B2C11D13 -37.32 5.79 -8.73 -0.62 0
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169645 75131152 1 O3N5C24H27 A3B5C24D27 21.92 3.69 -8.22 -0.69 0
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169646 75131178 1 O2N5C17H25 A2B5C17D25 1.18 3.1 -8.44 -0.33 0
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169647 75131216 1 O2N6C25H28 A2B6C25D28 57.61 2.4 -8.22 -0.62 0
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169648 75131441 1 ON6C13H18 AB6C13D18 48.43 7.31 -9.22 -0.83 0
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169649 75131732 2 ON3C11H17 AB3C11D17 -33.74 2.44 -9.07 -0.85 0
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169650 75131733 2 ON3C12H18 AB3C12D18 -29.44 4.49 -8.71 -0.86 0
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169651 75131734 1 ON6C28H36 AB6C28D36 56.39 3.5 -8.33 -0.82 0
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169652 75131803 1 O2N5C22H31 A2B5C22D31 -40.98 3.59 -8.18 -0.18 0
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169653 75132096 1 N3O5C25H45 A3B5C25D45 -279.44 3.5 -8.97 1.22 0
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169654 75132127 1 N4O7C33H36 A4B7C33D36 -236.39 5.7 -8.62 -0.38 0
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169655 75132128 1 N3O7C31H35 A3B7C31D35 -255.38 7.17 -9.51 -0.42 0
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169656 75132129 1 SN3O7C34H39 AB3C7D34E39 -249.15 3.35 -8.75 -0.44 0
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169657 75132270 1 ON2C9H16 AB2C9D16 -59.72 5.23 -9.39 1.3 0
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169658 75132800 2 ON2H8C9 AB2C8D9 39.04 8.27 -9.05 -2.37 0
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169659 75132915 1 N4O4C15H26 A4B4C15D26 -176.84 8.11 -8.89 -0.07 0
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169660 75133270 2 NOC7H7 ABC7D7 1.83 2.08 -9.48 -1.58 0
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169661 75133738 1 N3O3C15H17 A3B3C15D17 -39.92 2.43 -9.49 -1.56 1
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169662 75133739 1 O3N4C17H23 A3B4C17D23 -99.1 5.15 0.0 0.0 1
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169663 75133740 1 O3N4C17H23 A3B4C17D23 -100.97 3.2 0.0 0.0 1
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169664 75133741 1 O3N5C17H26 A3B5C17D26 -104.33 6.57 0.0 0.0 0
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169665 75133742 1 SO2N3C17H21 AB2C3D17E21 -33.07 4.23 -9.08 -1.97 1
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169666 75133743 1 O3N5C16H24 A3B5C16D24 -98.58 6.51 0.0 0.0 1
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169667 75133744 1 O3N5C17H26 A3B5C17D26 -98.09 5.58 0.0 0.0 0
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169668 75133783 1 N3O3C16H19 A3B3C16D19 -113.86 2.92 -8.74 -0.19 0
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169669 75135148 1 N3O3C22H25 A3B3C22D25 -107.59 5.74 -9.51 0.09 0
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169670 75135149 1 SN5O5C19H29 AB5C5D19E29 -214.86 7.92 -9.61 -0.2 0
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169671 75135150 1 N3O5C20H27 A3B5C20D27 -209.41 2.54 -8.64 -0.23 0
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169672 75135180 1 SN4O4C20H24 AB4C4D20E24 -125.73 3.28 -9.68 -0.48 0
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169673 75135181 1 O3N5C19H23 A3B5C19D23 -63.82 5.51 -8.33 -0.44 0
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169674 75135550 1 BrClOSN3H7C15 ABCDE3F7G15 113.69 1.85 -9.47 -2.21 0
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169675 75135551 1 ClN4O5H17C18 AB4C5D17E18 -52.97 12.69 -8.81 -2.08 0
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169676 75135552 1 ClO3N4C22H27 AB3C4D22E27 -82.08 3.49 -9.1 -0.74 0
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169677 75135630 1 ClON3C10H14 ABC3D10E14 -3.92 9.38 -9.36 -1.42 0
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169678 75135631 1 BrO3N4H9C17 AB3C4D9E17 111.06 2.93 -10.26 -2.56 0
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169679 75136088 1 Cl2O2N5C17H17 A2B2C5D17E17 -21.78 6.71 -9.15 -0.53 0
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169680 75136089 1 O2N5C25H27 A2B5C25D27 14.92 4.03 -9.07 -0.16 0
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169681 75136090 1 ClSO2N6H17C19 ABC2D6E17F19 31.68 7.28 -8.7 -0.57 0
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169682 75136091 1 FSO2N6H17C19 ABC2D6E17F19 -7.79 8.69 -8.63 -0.63 0
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169683 75136092 1 SO2N7H19C21 AB2C7D19E21 61.13 6.7 -8.22 -0.56 0
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169684 75136093 1 N5O5C21H27 A5B5C21D27 -201.62 1.83 -9.72 -0.36 0
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169685 75136094 1 F2O3N4C21H22 A2B3C4D21E22 -169.77 6.24 -9.8 -0.84 0
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169686 75136095 1 SF2O2N6H16C19 AB2C2D6E16F19 -51.81 9.19 -8.8 -0.79 0
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169687 75136096 1 F2O3N4C21H30 A2B3C4D21E30 -232.07 6.01 -9.95 -0.44 0
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169688 75136272 1 SO3N5C21H37 AB3C5D21E37 -127.22 4.25 -8.69 -0.3 0
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169689 75136566 2 ON3H6C10 AB3C6D10 122.97 16.66 -9.44 -2.11 0
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169690 75136567 1 SO3N4H12C15 AB3C4D12E15 -32.87 1.95 -9.46 -1.32 0
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169691 75136901 1 FS2O3N4C23H27 AB2C3D4E23F27 -115.56 6.51 -9.19 -1.31 0
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169692 75137344 1 SN4O5C19H20 AB4C5D19E20 -157.99 6.34 -9.46 -0.76 0
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169693 75138112 1 ClN2O2F3H16C19 AB2C2D3E16F19 -198.27 3.48 -9.56 -1.46 0
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169694 75138221 1 N3O3C25H29 A3B3C25D29 -93.72 6.09 -9.09 -0.55 0
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169695 75138222 1 N2O4C23H26 A2B4C23D26 -91.05 4.72 -8.8 -1.0 0
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169696 75139087 1 O3N4C27H32 A3B4C27D32 -42.6 4.59 -8.79 -0.2 0
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169697 75139088 1 O3N4C26H30 A3B4C26D30 -42.25 4.46 -8.79 -0.27 0
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169698 75139162 1 O3N4C27H32 A3B4C27D32 -51.86 2.26 -8.99 -0.23 0
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169699 75139286 1 ClN4O5C25H25 AB4C5D25E25 -105.89 7.75 -9.35 -0.5 0
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169700 75139421 1 ClO2N4C29H29 AB2C4D29E29 13.45 3.24 -8.96 -0.37 0
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169701 75139922 1 ClO2N5C24H24 AB2C5D24E24 8.73 7.23 -9.49 -0.77 0
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169702 75140021 2 ClON2C11H11 ABC2D11E11 -19.99 2.28 -8.88 -0.62 0
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169703 75140505 1 SN2O4C20H20 AB2C4D20E20 -91.69 4.59 -8.55 -0.81 0
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169704 75140506 1 SN2O4H18C20 AB2C4D18E20 -73.77 6.81 -9.06 -0.99 0
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169705 75140507 1 NSO6C23H23 ABC6D23E23 -178.19 4.61 -8.74 -0.73 0
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169706 75140587 1 NSO5H21C22 ABC5D21E22 -147.82 5.54 -8.88 -0.88 0
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169707 75140588 1 NSO5H21C22 ABC5D21E22 -136.69 6.83 -8.66 -1.09 0
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169708 75140604 1 SN2O6H18C21 AB2C6D18E21 -105.94 3.15 -9.17 -1.92 0
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169709 75140605 1 SN2O7H18C21 AB2C7D18E21 -136.4 8.76 -9.19 -1.78 0
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169710 75140606 1 SN2O7H18C21 AB2C7D18E21 -136.6 2.48 -8.85 -2.01 0
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169711 75140682 1 ClNSO4H18C21 ABCD4E18F21 -106.55 7.95 -9.06 -1.06 0
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169712 75140933 3 NOC10H11 ABC10D11 -44.74 2.92 -9.02 -0.69 0
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169713 75140934 1 O2N3H29C31 A2B3C29D31 24.68 3.11 -9.25 -0.59 0
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169714 75141228 1 FO3N4C23H23 AB3C4D23E23 -68.03 5.46 -9.1 -0.31 0
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169715 75141235 1 FO2N4C22H23 AB2C4D22E23 -65.38 5.32 -9.41 -0.18 0
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169716 75141236 1 FO2N4C22H23 AB2C4D22E23 -67.42 4.64 -9.43 -0.3 0
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169717 75141245 1 F2O2N4C23H24 A2B2C4D23E24 -110.41 4.54 -9.65 -0.61 0
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169718 75141454 1 ClO3N4C24H27 AB3C4D24E27 -68.41 6.13 -9.16 -0.26 0
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169719 75141455 1 ClO2N4C24H27 AB2C4D24E27 -35.51 5.78 -9.39 -0.32 0
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169720 75141456 1 ClO2N4C24H27 AB2C4D24E27 -33.61 5.78 -9.38 -0.27 0
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169721 75141457 1 Cl2O2N4C23H24 A2B2C4D23E24 -32.99 4.05 -9.59 -0.46 0