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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14701 418227 1 NSC6H15 ABC6D15 -20.36 2.31 -8.88 0.47 0
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14702 418317 1 NO4C19H21 AB4C19D21 -104.51 3.63 -7.8 -0.08 0
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14703 418341 1 Cl3N5C14H16 A3B5C14D16 42.01 2.59 -8.71 -0.87 0
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14704 418449 2 NC7H11 AB7C11 30.13 2.71 -7.88 0.62 0
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14705 418542 1 SN3O6H43C47 AB3C6D43E47 -60.23 4.38 -8.65 -0.44 0
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14706 418631 1 FCl2N3O4C32H40 AB2C3D4E32F40 -153.39 4.41 -8.02 0.31 0
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14707 418639 1 O2Cl3N3C30H36 A2B3C3D30E36 -29.8 1.92 -8.51 -0.06 0
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14708 418653 1 O6C25H36 A6B25C36 -328.78 7.58 -10.66 0.18 0
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14709 418674 1 OCl2N7C15H21 AB2C7D15E21 76.8 4.54 -7.97 -0.52 0
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14710 418675 1 NO2H23C30 AB2C23D30 45.68 2.87 -8.36 -1.36 0
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14711 418677 1 NC15H17 AB15C17 33.24 1.79 -8.25 0.29 0
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14712 418681 1 BrClON5H19C20 ABCD5E19F20 13.11 1.56 -8.77 -0.9 0
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14713 418714 1 N2O8C41H46 A2B8C41D46 -202.83 4.75 -7.46 -0.25 0
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14714 418723 1 O2N3C21H25 A2B3C21D25 -24.34 5.17 -8.47 -0.14 0
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14715 418741 1 ClO5C13H21 AB5C13D21 -140.23 2.62 -8.65 -0.21 0
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14716 418764 1 OPC15H15 ABC15D15 -10.61 5.48 -9.76 -0.04 0
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14717 418765 2 NOC6H8 ABC6D8 4.7 5.15 -8.91 -0.98 0
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14718 418932 1 ON2C12H20 AB2C12D20 -28.86 3.03 -7.98 0.26 0
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14719 418970 1 ClON4C7H7 ABC4D7E7 57.06 5.06 -10.42 -1.78 0
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14720 419006 1 NSH14C16 ABC14D16 81.4 4.43 0.0 0.0 1
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14722 419021 1 SCl3N3H24C27 AB3C3D24E27 91.04 2.92 -8.65 -0.74 0
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14723 419047 1 N2C21H24 A2B21C24 42.51 2.89 -8.11 -0.23 0
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14724 419059 1 ClON5C12H18 ABC5D12E18 11.25 5.24 -8.92 -1.23 0
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14725 419108 1 PO2H28C29 AB2C28D29 26.09 9.34 0.0 0.0 0
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14726 419114 2 O3C9H10 A3B9C10 -224.36 5.35 -9.47 -0.02 0
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14727 419139 1 NO2S2C10H10 AB2C2D10E10 -43.0 1.74 0.0 0.0 1
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14728 419156 1 S2N6C13H16 A2B6C13D16 106.01 4.15 -9.44 -1.26 0
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14729 419158 1 N2O2S2C15H16 A2B2C2D15E16 -30.81 4.31 -9.4 -1.0 0
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14730 419176 1 NO2C4H9 AB2C4D9 -69.1 3.31 -9.62 0.26 0
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14731 419184 1 N2S2C9H9 A2B2C9D9 69.99 4.33 0.0 0.0 1
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14732 419217 1 ON6C12H20 AB6C12D20 42.0 7.28 -9.2 -1.23 0
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14733 419219 1 ON6C14H24 AB6C14D24 20.63 11.49 -8.94 -0.36 0
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14734 419226 1 N6O6C17H18 A6B6C17D18 -80.03 6.68 -9.35 -1.62 0
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14735 419254 2 NC10H16 AB10C16 30.31 1.02 -8.0 0.39 0
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14736 419300 1 NPO3C15H26 ABC3D15E26 -205.77 1.95 -9.07 0.31 0
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14738 419321 1 N7C10H11 A7B10C11 131.26 7.27 -9.65 -1.37 0
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14739 419326 2 BNC3H7 ABC3D7 -0.29 2.46 -10.45 -1.32 0
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14740 419328 2 BCNH7 ABCD7 -34.99 0.0 -10.62 0.19 0
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14741 419343 1 OSN5C12H19 ABC5D12E19 12.24 3.17 -9.08 -1.08 0
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14742 419361 2 NC7H17 AB7C17 -24.29 0.68 -8.58 1.81 2
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14743 419362 1 BrN2C5H13 AB2C5D13 -12.53 1.92 -9.34 -0.11 0
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14744 419366 1 O3N4C9H20 A3B4C9D20 -137.1 2.96 -9.1 0.23 0
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14745 419406 2 NOH10C11 ABC10D11 42.66 1.6 -9.18 -0.29 0
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14746 419414 1 N3O5C28H33 A3B5C28D33 -57.94 9.05 -8.56 -0.88 0
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14747 419418 1 N3O3C28H33 A3B3C28D33 -51.89 3.77 -8.3 0.07 0
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14748 419439 3 O3H7C8 A3B7C8 -280.63 7.05 0.0 0.0 1
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14749 419459 1 N2O3C18H26 A2B3C18D26 -112.2 3.32 -9.41 -0.82 0
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14750 419493 1 SN3O5H15C20 AB3C5D15E20 -119.19 3.92 -8.18 -2.19 0
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14751 419538 1 ClNSH28C30 ABCD28E30 76.35 2.18 -8.4 -1.02 0
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14752 419552 2 O2H7C8 A2B7C8 -146.27 2.27 -9.52 -0.26 0
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14753 419560 1 OBr2Cl2N2C18H18 AB2C2D2E18F18 -1.4 3.07 -8.62 -0.83 0
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14754 419565 1 ClN5H10C13 AB5C10D13 83.35 5.59 -8.89 -1.08 0
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14756 419585 1 BNCl2C3H10 ABC2D3E10 -106.5 8.12 -9.74 0.39 0
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14757 419637 1 NOC8H15 ABC8D15 -52.24 3.6 -8.66 2.57 0
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14758 419689 1 Cl3P3N5C37H39 A3B3C5D37E39 60.76 14.21 -8.28 -1.21 0
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14761 419735 1 N5O6C11H15 A5B6C11D15 -176.61 4.49 -9.71 -1.29 0
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14762 419780 3 N2S2H6O7C10 A2B2C6D7E10 -592.24 2.36 -9.61 -3.12 0
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14763 419800 1 N4O10C17H20 A4B10C17D20 -334.64 10.32 -10.23 -1.37 0
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14764 419802 2 N2O4C11H12 A2B4C11D12 -218.84 8.81 -9.89 -1.2 0
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14765 419816 1 NOH11C14 ABC11D14 0.58 3.95 -8.6 -0.59 0
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14766 419844 1 ClN2O6C19H25 AB2C6D19E25 -138.49 6.33 -9.7 -1.02 0
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14767 419906 1 ON5C7H9 AB5C7D9 63.14 3.69 -10.55 -1.76 0
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14768 420066 1 N2O4C17H26 A2B4C17D26 -100.86 2.28 -9.21 -1.66 0
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14769 420072 2 NO2C9H14 AB2C9D14 -102.06 4.79 -8.96 -1.9 0
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14770 420202 1 NOC23H29 ABC23D29 -14.89 0.79 -8.38 0.43 0
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14771 420222 1 SO2Cl3N3H28C29 AB2C3D3E28F29 20.24 3.29 -8.63 -0.56 0
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14772 420229 1 OSN3C22H25 ABC3D22E25 16.57 3.94 -8.43 -0.83 0
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14773 420237 1 OSN3C8H15 ABC3D8E15 8.19 2.08 -8.91 -0.07 0
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14774 420253 1 AsO2C21H21 AB2C21D21 54.76 3.3 -8.43 -0.3 0
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14775 420298 1 H26C35 A26B35 132.79 0.71 -8.54 -0.46 0
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14776 420403 1 NO2C16H19 AB2C16D19 -31.71 2.5 -7.84 -0.31 0
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14777 420404 1 NO3C20H21 AB3C20D21 -53.65 2.8 -7.78 -0.38 0
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14778 420405 1 NSO2H14C16 ABC2D14E16 -13.84 3.1 0.0 0.0 1
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14779 420514 1 FSCl2O2N4H13C18 ABC2D2E4F13G18 -49.3 8.49 -9.27 -1.41 0
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14780 420515 1 FSCl2O2N4H15C18 ABC2D2E4F15G18 -75.23 8.7 -9.41 -0.88 0
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14783 420714 1 FCl2S3N5O9H20C23 AB2C3D5E9F20G23 -312.47 3.51 -9.02 -1.79 0
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14784 420722 1 O2N5H7C10 A2B5C7D10 79.09 5.86 -8.49 -2.55 0
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14785 420755 2 SnC30H40 AB30C40 136.77 2.61 -7.77 -0.55 0
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14786 420768 1 NOSC11H12 ABCD11E12 2.79 3.69 0.0 0.0 1
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14787 420771 1 NOC6H13 ABC6D13 -61.9 3.01 -9.04 2.62 0
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14788 420797 1 ON3H5C6 AB3C5D6 24.48 2.18 -9.49 -1.09 0
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14789 420803 1 O5N6C23H24 A5B6C23D24 -144.62 5.12 -8.81 -0.48 0
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14790 420804 1 NO2C11H15 AB2C11D15 -72.9 3.44 -8.46 0.11 0
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14791 420805 2 N2O3H8C13 A2B3C8D13 75.08 2.21 -9.07 -2.47 0
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14792 420806 1 NSO6H21C24 ABC6D21E24 -168.38 4.31 -8.75 -2.04 0
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14793 420807 1 NO4C11H13 AB4C11D13 -137.45 3.12 -8.96 -0.36 0
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14794 420808 1 ON2C16H22 AB2C16D22 -16.14 3.09 -8.32 -0.09 0
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14795 420809 1 ON2C14H14 AB2C14D14 61.99 3.37 -8.87 -0.24 0
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14796 420810 1 ON2C15H16 AB2C15D16 56.78 3.24 -8.76 -0.28 0
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14797 420811 1 ON2C16H18 AB2C16D18 49.32 3.23 -8.94 -0.18 0
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14798 420812 1 SN2O3C29H34 AB2C3D29E34 -77.03 0.67 -8.93 -0.24 0
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14799 420815 1 N5C19H23 A5B19C23 64.55 3.8 -8.79 -0.16 0
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14800 420821 2 NO2C6H8 AB2C6D8 -78.9 3.9 -9.26 -1.96 0
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14801 420856 1 FSO4N5C19H22 ABC4D5E19F22 -132.9 6.75 -9.17 -0.93 0
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14802 420870 1 N3O3C10H11 A3B3C10D11 -80.96 8.42 -10.16 -1.12 0
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14804 420975 1 NO3H21C22 AB3C21D22 -28.9 0.18 -8.7 0.01 0
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14805 420976 1 IN2O2H13C14 AB2C2D13E14 62.29 5.6 -9.32 -1.66 0
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14806 420983 1 S2O6C23H26 A2B6C23D26 -189.57 4.03 -9.78 -0.6 0
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14807 421027 1 BrNOH14C17 ABCD14E17 27.5 6.63 -8.27 -1.19 0
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14808 421032 1 NCl2O5H12C13 AB2C5D12E13 -56.01 0.88 0.0 0.0 1