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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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124763 50895505 1 NSCl3O4H12C15 ABC3D4E12F15 -141.22 9.4 -9.5 -1.69 0
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124764 50895506 1 NSCl3O4H14C16 ABC3D4E14F16 -140.96 4.81 -9.3 -1.15 0
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124765 50895507 1 NSCl3O4H12C15 ABC3D4E12F15 -144.55 4.65 -9.57 -1.09 0
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124766 50895508 1 NSCl3O4H14C16 ABC3D4E14F16 -140.39 8.44 -9.33 -0.76 0
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124767 50895509 1 SN2Cl3O6H11C15 AB2C3D6E11F15 -133.51 2.02 -9.67 -1.85 0
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124768 50895510 1 SN2Cl3O6H15C17 AB2C3D6E15F17 -151.49 7.49 -9.48 -1.61 0
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124769 50895511 1 NSO4Cl5H14C17 ABC4D5E14F17 -159.7 3.36 -9.53 -1.34 0
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124770 50895512 1 NSO4Cl5H12C16 ABC4D5E12F16 -157.2 4.25 -9.29 -1.34 0
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124771 50895513 1 ClNSO4C12H16 ABCD4E12F16 -172.24 7.89 -9.68 -0.49 0
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124772 50895514 1 NSCl2O3C12H15 ABC2D3E12F15 -130.79 6.36 -9.8 -0.57 0
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124773 50895545 1 SN2O3Cl5H9C14 AB2C3D5E9F14 -105.34 4.81 -9.55 -1.59 0
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124774 50895546 1 NSO3Cl6H7C14 ABC3D6E7F14 -104.95 5.8 -9.72 -1.58 0
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124775 50895564 1 NSCl3O3C18H18 ABC3D3E18F18 -109.41 4.58 -9.42 -1.3 0
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124776 50895581 1 NSO4Cl5H10C15 ABC4D5E10F15 -148.06 3.2 -9.78 -1.37 0
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124777 50895647 1 NSCl2O3H15C16 ABC2D3E15F16 -94.87 4.64 -9.73 -0.83 0
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124778 50895658 1 FNSO4C20H24 ABCD4E20F24 -190.39 6.48 -9.13 -1.0 0
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124779 50895659 1 SCl2N3O3C18H21 AB2C3D3E18F21 -84.83 3.1 -9.51 -1.1 0
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124780 50895660 1 NSCl2O4C19H21 ABC2D4E19F21 -153.57 2.87 -9.31 -1.2 0
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124781 50895779 1 ClSN2O6C17H17 ABC2D6E17F17 -131.52 6.78 -9.36 -1.48 0
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124782 50895783 1 NSCl3O4C11H12 ABC3D4E11F12 -167.72 4.04 -9.51 -0.9 0
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124783 50895797 1 SN2Cl3O3H13C15 AB2C3D3E13F15 -99.45 6.8 -9.5 -1.49 0
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124784 50895836 1 NSO4C22H29 ABC4D22E29 -160.72 5.9 -9.18 -0.5 0
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124785 50895922 1 ClOSN5H12C14 ABCD5E12F14 79.85 3.27 -9.53 -1.81 0
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124786 50895988 1 ISO2N4H9C12 ABC2D4E9F12 65.06 4.63 -9.91 -1.98 0
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124787 50895989 1 ISO2N4H11C13 ABC2D4E11F13 56.3 3.97 -9.87 -1.88 0
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124788 50895990 1 OSN5C19H21 ABC5D19E21 48.73 4.55 -8.48 -0.68 0
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124789 50896037 1 ClOSN6H7C10 ABCD6E7F10 104.5 4.57 -9.94 -2.04 0
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124790 50896080 1 ClN2O3C18H23 AB2C3D18E23 -126.64 4.98 -8.25 -0.12 0
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124791 50896089 1 N5C14H19 A5B14C19 79.1 9.36 -8.59 -0.5 0
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124792 50896093 1 ClN3O4C18H22 AB3C4D18E22 -157.09 7.34 -8.56 -0.32 0
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124793 50896247 1 BNSO4C8H8 ABCD4E8F8 -179.56 4.17 -9.23 -0.75 0
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124794 50896308 1 O2S3C20H24 A2B3C20D24 -30.5 3.24 -8.14 -0.43 0
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124795 50896381 1 IN2O3C12H17 AB2C3D12E17 -111.91 4.13 -9.29 -0.85 0
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124796 50896382 1 BrSO2C11H15 ABC2D11E15 -74.84 2.88 -9.08 -0.6 0
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124797 50896470 1 N3O3C7H9 A3B3C7D9 -91.04 6.29 -10.34 -0.72 0
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124798 50896495 1 NSO2C13H19 ABC2D13E19 -82.9 8.44 -9.17 -0.72 0
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124799 50896572 1 ClNF2O3H4C7 ABC2D3E4F7 -134.04 4.05 -10.0 -1.71 0
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124800 50896574 1 ClNF2O3H6C8 ABC2D3E6F8 -128.89 5.39 -9.85 -1.68 0
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124801 50896601 1 F2O3C10H10 A2B3C10D10 -180.19 7.76 -8.93 -0.74 0
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124802 50896730 1 ClF2N2O2C7H7 AB2C2D2E7F7 -145.88 2.9 -9.81 -0.6 0
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124803 50896761 1 ON3C7H13 AB3C7D13 1.09 3.27 -9.26 0.76 0
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124804 50896762 1 ON3C11H13 AB3C11D13 29.94 3.91 -8.08 0.39 0
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124805 50896767 1 F3N3H4C6 A3B3C4D6 -83.66 4.47 -10.65 -0.83 0
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124806 50896768 1 F3N3H4C6 A3B3C4D6 -83.69 3.36 -10.88 -0.98 0
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124807 50896769 1 F3N3C8H12 A3B3C8D12 -138.88 2.83 -9.43 0.43 0
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124808 50896770 1 N3O4C11H15 A3B4C11D15 -62.03 6.4 -10.79 -1.06 0
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124809 50896895 1 NO5C17H25 AB5C17D25 -183.81 4.17 -8.78 -0.57 0
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124810 50897039 1 FeO2C13H14 AB2C13D14 -24.03 2.72 -9.01 -0.72 0
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124812 50897061 1 CrO3C12H12 AB3C12D12 -25.88 1.97 -8.56 -0.44 -1
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124813 50897089 1 ReH3O5C6 AB3C5D6 97.94 1.94 -7.97 -1.88 -1
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124815 50897211 1 FeSO4C5 ABC4D5 -50.13 7.68 -8.71 -0.25 0
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124816 50897212 1 CrN2O5C12H14 AB2C5D12E14 53.56 3.35 -6.43 1.21 0
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124817 50897306 1 CoH12N13 AB12C13 143.74 13.61 -9.08 -4.49 -2
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124820 50897313 1 CoC2N6O8H12 AB2C6D8E12 -123.89 21.12 0.0 0.0 -2
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124821 50897350 1 Fe2N2P2O7C25H36 A2B2C2D7E25F36 244.26 6.31 -6.62 -1.33 2
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124823 50897452 2 ReO8H9C12 AB8C9D12 -201.42 7.34 -7.85 -2.67 -1
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124824 50897522 1 PFe3O11H20C23 AB3C11D20E23 291.06 2.03 0.0 0.0 4
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124825 50897560 1 FeO2F5H5C11 AB2C5D5E11 -162.21 2.18 -8.5 -0.03 0
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124826 50897561 1 O5C22H22 A5B22C22 -145.57 4.8 -8.71 -0.32 0
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124827 50897562 1 O3H20C21 A3B20C21 -53.07 3.67 -8.8 -0.84 -1
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124828 50897622 1 FeC14H17 AB14C17 21.29 6.86 0.0 0.0 -1
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124830 50897644 1 N2O3C16H18 A2B3C16D18 -7.61 10.01 -9.29 -1.16 0
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124831 50897731 1 ON3C18H33 AB3C18D33 -45.35 2.31 -8.52 2.19 0
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124832 50897761 1 ClSN3O3H20C21 ABC3D3E20F21 -65.21 13.0 -8.38 -1.76 0
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124833 50897762 1 SN3O3C25H29 AB3C3D25E29 -76.19 10.39 -8.21 -1.64 0
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124834 50897904 1 ClNO3H14C16 ABC3D14E16 -83.5 4.19 -9.05 -0.39 0
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124835 50898160 1 NO3C25H29 AB3C25D29 -32.99 3.68 -9.02 0.0 0
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124836 50898161 1 SN2O5C24H30 AB2C5D24E30 -160.77 6.47 -8.42 -0.59 0
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124837 50898235 1 SN4O4C23H30 AB4C4D23E30 -151.26 5.18 -8.74 -0.66 0
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124838 50898253 1 ClNSO4C17H18 ABCD4E17F18 -87.74 6.18 -9.82 -1.42 0
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124839 50898374 1 BO5N6C40H49 AB5C6D40E49 -187.85 5.03 -8.32 -1.4 0
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124840 50898375 1 BO5N6C30H35 AB5C6D30E35 -195.59 7.32 -8.38 -1.03 0
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124842 50898498 1 INO6C30H30 ABC6D30E30 -121.51 5.94 -7.55 -1.2 0
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124843 50898649 1 ClINO4H25C28 ABCD4E25F28 -49.54 6.38 -7.34 -1.1 0
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124844 50898777 1 N3O4C25H35 A3B4C25D35 -162.52 8.28 -8.33 -0.06 0
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124845 50898797 1 Br2Cl2N2O2H14C19 A2B2C2D2E14F19 -19.87 4.84 -9.23 -0.95 0
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124846 50899038 1 ClO2F3N4H20C24 AB2C3D4E20F24 -128.25 7.49 -8.71 -0.94 0
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124847 50899229 1 O2N4C27H30 A2B4C27D30 20.34 3.39 -8.39 -0.68 0
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124848 50899230 2 ON2C14H16 AB2C14D16 15.33 2.68 -8.35 -0.75 0
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124849 50899237 1 Cl2N5C17H17 A2B5C17D17 61.0 6.38 -8.71 -1.22 0
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124850 50899462 1 N4O7H10C14 A4B7C10D14 -12.5 9.11 -8.94 -2.52 0
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124851 50899557 1 BrN2C12H19 AB2C12D19 -5.41 2.71 -9.34 0.26 0
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124852 50899558 1 BrN2C15H17 AB2C15D17 12.43 3.77 -9.03 0.06 0
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124853 50899559 1 ClON4C23H23 ABC4D23E23 30.44 3.53 -8.93 -0.88 0
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124854 50899844 1 O2N4H14C15 A2B4C14D15 10.66 5.84 -9.17 -0.89 0
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124855 50899987 1 N3O8H23C26 A3B8C23D26 -227.7 3.82 -9.28 -0.89 0
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124856 50899988 1 N3O8H23C30 A3B8C23D30 -190.02 6.76 -9.22 -1.25 0
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124857 50899993 1 NO6C20H27 AB6C20D27 -262.91 6.26 -9.76 -0.16 0
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124858 50900058 1 N3O3C11H19 A3B3C11D19 -67.44 5.54 -10.07 -0.08 0
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124859 50900090 1 NOC8H17 ABC8D17 -69.44 3.51 -9.08 2.85 0
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124860 50900117 1 SO3N5H15C20 AB3C5D15E20 83.54 12.4 -9.8 -1.75 0
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124861 50900124 2 NOC8H10 ABC8D10 -54.76 4.76 -8.44 -0.5 0
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124862 50900163 1 SO2N3C21H23 AB2C3D21E23 11.32 4.39 -9.78 -0.53 0
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124863 50900259 1 N2O7C27H38 A2B7C27D38 -325.3 2.37 -8.63 -0.3 0
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124864 50900288 1 O2N3C91H109 A2B3C91D109 134.19 26.66 -6.48 -1.69 0
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124865 50900289 1 N3O6H69C71 A3B6C69D71 -27.17 10.19 -7.58 -1.44 0
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124866 50900290 1 S2N7O8C43H45 A2B7C8D43E45 -243.37 1.6 -8.49 -0.36 0
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124867 50900291 1 S2N7O7C39H43 A2B7C7D39E43 -192.36 3.6 -8.8 -0.55 0
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124868 50900292 1 S2N7O7C39H43 A2B7C7D39E43 -215.83 4.66 -8.51 -0.34 0
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124869 50900293 1 SP3N9O17C28H50 AB3C9D17E28F50 -937.94 6.46 -8.72 -0.57 0