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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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89748 49964274 1 O2F3H9C10 A2B3C9D10 -216.7 4.74 -9.98 -0.59 0
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89750 49964277 1 N3Cl5C10H22 A3B5C10D22 -65.93 13.67 -8.54 -1.0 0
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89751 49964287 1 OCl3N3H14C16 AB3C3D14E16 2.67 4.67 -9.65 -0.56 0
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89752 49964297 1 N3O5C30H33 A3B5C30D33 85.08 4.18 -8.5 -0.37 -1
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89753 49964327 1 ClN2O5C11H14 AB2C5D11E14 -174.75 5.74 0.0 0.0 -1
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89754 49964362 1 ClSN3O3C22H27 ABC3D3E22F27 -61.9 2.05 0.0 0.0 -1
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89755 49964364 1 ClSN3O4C22H25 ABC3D4E22F25 -95.55 0.81 0.0 0.0 0
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89756 49964388 1 SO2N5C19H21 AB2C5D19E21 -17.32 7.46 -8.83 -0.93 0
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89757 49964396 1 IN3O3H14C17 AB3C3D14E17 6.25 6.6 -8.79 -1.58 0
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89758 49964401 1 OSCl2N4C11H20 ABC2D4E11F20 -91.25 3.35 -8.96 -0.36 0
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89759 49964402 1 N2O2Cl3C14H23 A2B2C3D14E23 -148.01 4.71 -9.32 -0.25 0
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89760 49964408 1 O6N7H17C19 A6B7C17D19 30.99 4.77 -9.22 -1.58 0
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89761 49964409 1 BrO3N6C20H21 AB3C6D20E21 68.32 7.02 -8.64 -1.05 0
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89762 49964410 3 ClON2H5C6 ABC2D5E6 53.41 2.14 -8.98 -0.99 0
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89763 49964411 1 BrO3N6H21C23 AB3C6D21E23 96.12 6.88 -8.62 -1.1 0
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89764 49964412 1 N5O10C32H47 A5B10C32D47 -470.36 8.28 -8.84 -0.37 0
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89765 49964416 1 S2O3N5C22H25 A2B3C5D22E25 -32.48 3.58 -9.26 -1.47 0
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89766 49964418 1 S2O3N4C16H20 A2B3C4D16E20 -62.8 1.63 -9.08 -1.25 0
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89767 49964420 1 N2O3C24H28 A2B3C24D28 -102.01 6.12 -8.56 -0.17 0
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89768 49964425 1 NO8C23H23 AB8C23D23 -244.9 3.13 -8.4 -1.17 0
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89769 49964427 1 NO5C11H15 AB5C11D15 -198.01 4.82 -9.65 -0.82 0
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89770 49964428 1 N2O4C11H16 A2B4C11D16 -163.6 3.63 -9.06 -0.54 0
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89771 49964430 2 NO3C9H11 AB3C9D11 -247.37 1.59 -9.51 -0.37 0
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89772 49964431 1 O2S2N5C23H27 A2B2C5D23E27 -1.04 6.7 -9.06 -1.31 0
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89773 49964436 1 SO2N5H19C20 AB2C5D19E20 64.46 4.06 -8.31 -0.88 0
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89774 49964437 1 N2O3C14H16 A2B3C14D16 -93.27 1.19 -9.18 -0.64 0
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89775 49964438 1 NO4C14H15 AB4C14D15 -120.58 6.11 -9.24 -0.72 0
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89776 49964441 1 N3O4C14H19 A3B4C14D19 -97.93 6.46 -9.39 -0.41 0
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89777 49964444 1 S2O3N5C17H23 A2B3C5D17E23 -59.19 2.4 -9.09 -1.29 0
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89778 49964447 1 ClO2S2N6C21H23 AB2C2D6E21F23 8.26 3.53 -8.55 -1.46 0
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89779 49964455 1 SN2O2Cl4H14C22 AB2C2D4E14F22 64.14 6.07 -8.31 -1.39 0
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89780 49964468 1 O3N4H22C23 A3B4C22D23 -33.98 5.23 -8.76 -0.84 0
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89781 49964483 1 ON2C21H26 AB2C21D26 -31.59 1.51 -9.18 0.04 0
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89782 49964484 1 BrO2N4H15C19 AB2C4D15E19 71.6 6.36 -7.81 -1.84 0
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89783 49964485 1 O2S2N4C19H22 A2B2C4D19E22 1.64 2.08 -9.0 -1.17 0
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89784 49964486 1 FO2S2N4C18H19 AB2C2D4E18F19 -36.03 2.75 -9.14 -1.31 0
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89785 49964487 1 ClN3O3H18C20 AB3C3D18E20 -14.79 6.02 -9.28 -1.13 0
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89786 49964489 1 ON5C15H17 AB5C15D17 73.82 4.66 -10.02 -1.22 0
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89787 49964537 1 OS2N5C23H29 AB2C5D23E29 38.02 3.67 -8.91 -1.21 0
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89788 49964554 1 O2S2N4C13H16 A2B2C4D13E16 -10.17 4.29 -9.22 -1.43 0
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89789 49964557 1 ON5C11H11 AB5C11D11 56.56 5.87 -10.3 -1.41 0
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89790 49964562 1 O2S2N5C22H25 A2B2C5D22E25 5.16 3.96 -9.18 -1.39 0
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89791 49964603 1 N3O5C22H23 A3B5C22D23 -107.9 2.3 -8.71 -0.48 0
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89792 49964608 1 F2N3O3H19C21 A2B3C3D19E21 -116.09 1.88 -9.27 -0.63 0
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89793 49964611 1 SN4O5H18C19 AB4C5D18E19 -21.06 4.39 -9.5 -1.54 0
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89794 49964615 3 NO2C8H9 AB2C8D9 -144.31 8.15 -8.45 -0.17 0
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89795 49964640 1 N3O5C24H27 A3B5C24D27 -107.76 6.24 -8.46 -0.24 0
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89796 49964645 1 N3O5C24H27 A3B5C24D27 -111.17 5.42 -8.63 -0.38 0
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89797 49964663 1 N3O5C23H25 A3B5C23D25 -112.72 4.74 -8.56 -0.4 0
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89798 49964700 1 ClN4O5H19C21 AB4C5D19E21 -35.29 5.33 -9.5 -1.7 0
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89799 49964711 1 N3O4C24H27 A3B4C24D27 -74.86 3.7 -8.66 -0.17 0
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89800 49964727 1 ClN3O5C22H22 AB3C5D22E22 -115.22 0.74 -8.82 -0.66 0
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89801 49964731 1 BrN3O3H20C21 AB3C3D20E21 -16.6 2.58 -9.25 -0.58 0
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89802 49964734 1 ClN3O5C23H24 AB3C5D23E24 -118.12 3.82 -8.78 -0.56 0
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89803 49964741 1 BrN3O3H20C21 AB3C3D20E21 -20.4 2.76 -9.24 -0.66 0
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89804 49964743 1 BrN3O3C16H18 AB3C3D16E18 -54.09 6.18 -9.51 -0.44 0
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89805 49964757 1 BrN3O4H20C21 AB3C4D20E21 -65.83 2.57 -9.26 -0.71 0
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89806 49964760 1 FN3O3C16H18 AB3C3D16E18 -99.51 4.98 -9.5 -0.18 0
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89807 49964761 1 N3O4C21H21 A3B4C21D21 -65.95 3.26 -9.15 -0.54 0
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89808 49964770 1 N4O5H20C21 A4B5C20D21 -27.69 2.42 -9.39 -1.43 0
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89809 49964786 1 N3O5C23H25 A3B5C23D25 -101.88 2.19 -8.85 -0.31 0
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89810 49964787 1 ClN3O4C22H22 AB3C4D22E22 -69.55 3.04 -8.92 -0.49 0
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89811 49964802 1 N2O3C16H18 A2B3C16D18 -112.54 4.92 -8.8 -0.34 0
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89812 49964807 1 N2O3C22H22 A2B3C22D22 -77.16 2.71 -8.55 -0.78 0
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89813 49964820 1 ISN2O2C16H21 ABC2D2E16F21 -28.07 8.13 -7.04 -0.9 0
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89814 49964822 1 N3C13H19 A3B13C19 33.62 3.32 -8.71 -0.35 0
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89815 49964825 1 O3N4H20C24 A3B4C20D24 -16.78 10.18 -8.26 -1.32 0
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89816 49964830 1 SN2O4H18C22 AB2C4D18E22 -55.71 5.53 -8.24 -2.03 1
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89817 49964832 1 BrN2O2C9H12 AB2C2D9E12 40.36 14.78 0.0 0.0 0
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89818 49964833 1 FO5H21C26 AB5C21D26 -184.98 6.52 -9.06 -0.91 0
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89819 49964834 1 FO6H23C27 AB6C23D27 -220.79 6.08 -8.57 -0.73 1
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89820 49964839 1 N4O4C15H17 A4B4C15D17 55.27 20.55 0.0 0.0 0
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89821 49964840 1 SN2O2H14C16 AB2C2D14E16 -8.42 5.41 -8.63 -1.34 0
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89822 49964843 1 FO6H25C28 AB6C25D28 -227.76 6.43 -8.43 -0.73 0
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89823 49964844 1 SN2O2C16H20 AB2C2D16E20 -6.72 15.54 -7.48 -0.18 0
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89824 49964845 1 SO2N3H15C16 AB2C3D15E16 20.32 14.68 -7.9 -1.36 1
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89825 49964846 1 SO2N3C16H16 AB2C3D16E16 -11.64 6.49 0.0 0.0 0
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89826 49964847 1 SN3O4H13C16 AB3C4D13E16 16.68 15.3 -8.18 -1.69 1
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89827 49964848 1 SN3O4H14C16 AB3C4D14E16 -5.38 5.47 0.0 0.0 0
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89828 49964859 1 SO7H24C26 AB7C24D26 -211.98 3.37 -8.33 -0.64 0
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89829 49964860 1 O2N3C14H17 A2B3C14D17 -41.79 7.08 -8.54 -0.61 0
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89830 49964868 1 ON5C15H21 AB5C15D21 28.06 3.45 -8.72 -0.15 0
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89831 49964897 1 FOSN4H13C19 ABCD4E13F19 34.76 4.82 -9.28 -1.74 0
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89832 49964904 1 ON5C17H25 AB5C17D25 20.46 3.76 -8.37 -0.13 0
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89833 49964922 1 OSF2N4H12C19 ABC2D4E12F19 -8.2 2.91 -9.27 -1.41 0
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89834 49964935 1 SN3H15C19 AB3C15D19 113.16 1.82 -9.08 -1.39 0
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89835 49964936 1 ClOSN4H13C19 ABCD4E13F19 73.18 1.33 -9.14 -1.63 0
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89836 49964942 1 ClFSO2N5H13C18 ABCD2E5F13G18 -33.31 11.02 -8.9 -1.14 0
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89837 49964944 1 SO3N5H17C21 AB3C5D17E21 3.35 9.6 -8.48 -1.14 0
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89838 49964954 1 ClOSN4H13C19 ABCD4E13F19 75.15 2.66 -9.15 -1.88 0
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89839 49964967 1 FSN3H12C18 ABC3D12E18 75.24 1.79 -9.12 -1.44 0
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89840 49964968 1 OSCl2N4H12C19 ABC2D4E12F19 68.2 4.47 -9.11 -1.52 0
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89841 49964979 1 BrNO4H18C23 ABC4D18E23 -67.68 1.95 -8.85 -0.85 0
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89842 49964980 1 SO2F3N3H16C17 AB2C3D3E16F17 -207.88 3.98 -8.94 -1.7 0
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89843 49964983 1 SO3N4H18C21 AB3C4D18E21 7.28 1.71 -8.17 -1.63 0
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89844 49964995 1 NO10C27H27 AB10C27D27 -278.55 4.97 -8.4 -0.72 0
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89845 49965013 1 SO2N3H13C19 AB2C3D13E19 39.65 5.68 -9.4 -1.51 0
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89846 49965019 1 SO3N5H17C20 AB3C5D17E20 5.51 10.27 -8.54 -1.06 0
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89847 49965030 1 ClN2O3H19C20 AB2C3D19E20 -95.4 4.54 -9.28 -0.86 0
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89848 49965031 1 ClN2O3H19C20 AB2C3D19E20 -94.77 6.97 -9.16 -1.03 0