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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168714 75007658 1 N2O5C17H25 A2B5C17D25 -141.21 3.83 0.0 0.0 1
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168715 75008040 1 SO5N7C24H34 AB5C7D24E34 -95.12 9.92 0.0 0.0 0
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168716 75008486 1 O3N5C20H31 A3B5C20D31 -45.82 17.27 -7.51 -3.54 0
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168717 75008738 1 FO21N28C79H129 AB21C28D79E129 -1020.44 25.22 -8.71 -0.69 0
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168718 75008998 1 NO4C31H47 AB4C31D47 -120.02 7.73 -6.3 -0.82 0
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168719 75009265 1 NO4C29H33 AB4C29D33 -114.53 3.21 -8.3 0.02 0
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168720 75009561 1 ClON7C25H32 ABC7D25E32 40.84 9.9 -9.14 -0.75 0
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168721 75009562 1 OF4N7C26H31 AB4C7D26E31 -156.51 11.63 -9.28 -0.84 0
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168722 75009563 1 FON7C31H36 ABC7D31E36 31.71 9.73 -9.18 -0.77 0
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168723 75009564 1 N4O6C29H40 A4B6C29D40 -221.1 8.37 -8.64 0.15 0
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168724 75009565 1 N3O3C29H33 A3B3C29D33 -66.33 4.86 -8.64 -0.56 0
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168725 75009566 1 N3O4C29H41 A3B4C29D41 -159.05 1.06 -8.69 0.33 0
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168726 75009567 1 O3N4C26H36 A3B4C26D36 -100.21 1.85 -8.24 0.3 0
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168727 75009601 1 N2O2C17H20 A2B2C17D20 -60.04 3.74 -8.86 -0.1 0
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168728 75009602 1 N5O5C34H41 A5B5C34D41 -162.26 4.57 -9.15 -0.18 0
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168729 75009662 1 Cl2O3N5C16H21 A2B3C5D16E21 -77.37 1.31 -9.43 -0.87 0
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168730 75010314 1 N11O12C62H109 A11B12C62D109 -621.99 10.46 -9.12 0.03 0
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168731 75011232 1 NSO16C45H55 ABC16D45E55 -557.84 10.37 -9.07 -1.46 0
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168733 75011931 1 FNO17C54H78 ABC17D54E78 -685.85 9.26 -8.45 -1.71 0
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168734 75011966 1 O6C19H22 A6B19C22 -196.91 4.76 -10.06 -0.67 0
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168735 75011984 1 O6C19H24 A6B19C24 -226.36 6.17 -9.84 -0.35 0
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168736 75011985 1 O9C21H26 A9B21C26 -324.37 8.56 -10.42 -0.95 0
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168737 75012110 1 N3O4C10H19 A3B4C10D19 -175.27 3.54 -9.52 -0.46 0
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168738 75012211 2 NC9H10 AB9C10 63.95 2.85 -8.76 -0.43 0
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168739 75012212 1 SO3N4C27H40 AB3C4D27E40 -98.64 7.36 -8.53 -0.86 0
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168740 75012213 1 BrO2N3C24H32 AB2C3D24E32 -49.27 3.06 -8.52 -0.59 0
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168741 75012926 1 NSO2C21H21 ABC2D21E21 0.92 5.64 -9.05 -0.72 0
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168742 75013104 1 S2O8N9C22H39 A2B8C9D22E39 -382.66 4.23 -9.13 -0.59 0
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168743 75013188 1 FN4O6C31H33 AB4C6D31E33 -210.18 9.2 -8.31 -0.98 0
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168744 75013313 1 S2O12N13C60H85 A2B12C13D60E85 -514.01 6.94 -8.08 -1.29 0
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168745 75013314 1 S2O11N12C50H68 A2B11C12D50E68 -441.28 13.69 -8.9 -0.45 0
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168746 75013315 1 SN2O3C23H32 AB2C3D23E32 -89.57 4.55 -9.09 0.48 0
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168747 75013785 2 O7N8C33H41 A7B8C33D41 -480.97 9.6 -7.12 -1.31 0
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168748 75014132 2 N2O2C9H13 A2B2C9D13 -132.89 2.94 -8.58 -0.01 0
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168749 75014166 1 FS3N4O4C16H17 AB3C4D4E16F17 -137.23 5.29 -9.05 -1.53 0
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168750 75014263 1 O6C19H26 A6B19C26 -190.57 5.69 -9.6 -0.6 0
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168751 75014361 1 N4O7C21H38 A4B7C21D38 -368.05 8.21 -9.46 -0.48 0
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168752 75014362 1 O3C27H34 A3B27C34 -59.41 3.61 -9.01 -0.35 0
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168753 75014363 1 O3C26H38 A3B26C38 -156.64 3.57 -9.02 -0.28 0
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168754 75014504 1 NO4C27H35 AB4C27D35 -172.13 6.59 -8.33 -0.1 0
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168755 75014583 1 ClO12N15C76H98 AB12C15D76E98 -484.61 3.16 -8.23 -0.39 0
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168756 75014584 1 ClO12N21C83H106 AB12C21D83E106 -387.0 10.99 -8.92 -0.53 0
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168757 75014585 4 NOC7H8 ABC7D8 -57.46 4.29 -8.43 -0.63 0
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168758 75014586 1 SN2O5C25H28 AB2C5D25E28 -149.97 6.29 -9.11 -1.3 0
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168759 75014595 1 O2N5F7C30H40 A2B5C7D30E40 -386.4 7.59 -8.82 -1.02 0
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168760 75014740 1 O3N4C26H36 A3B4C26D36 -130.04 4.54 -8.63 0.19 0
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168761 75014934 1 NO18C46H75 AB18C46D75 -742.33 13.64 -5.87 -1.99 0
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168762 75014935 1 SN5O8C35H57 AB5C8D35E57 -410.68 6.05 -8.65 -1.11 0
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168763 75014985 1 O5C26H28 A5B26C28 -143.21 1.93 -8.38 -0.17 0
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168764 75014986 1 ON4C11H16 AB4C11D16 9.08 3.78 -9.03 0.1 0
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168765 75015408 1 ClO3N4C30H39 AB3C4D30E39 -128.86 1.4 -8.93 -0.46 0
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168766 75015680 1 NNaO8C23H34 ABC8D23E34 -371.79 10.51 -8.94 -0.12 0
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168767 75015681 1 NO8C23H35 AB8C23D35 -332.12 8.04 -9.64 -0.74 0
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168768 75015807 1 O3N7H41C49 A3B7C41D49 139.19 4.53 -8.74 -1.25 0
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168769 75016442 2 OC8H13 AB8C13 -113.28 1.14 -9.36 1.2 0
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168770 75016539 1 O6N9C31H53 A6B9C31D53 -287.54 5.84 -9.36 0.4 0
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168771 75016608 1 SO5N6C22H34 AB5C6D22E34 -162.47 3.52 -8.41 0.1 0
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168772 75016609 2 N3O3C21H26 A3B3C21D26 -199.49 4.99 -9.43 -0.21 0
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168773 75016717 2 SO4C10H14 AB4C10D14 -289.18 4.11 -9.16 -0.38 0
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168774 75016986 1 BrNO2F3C7H13 ABC2D3E7F13 -252.18 11.18 -8.94 -0.49 0
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168775 75018074 1 FON2C8H13 ABC2D8E13 -33.32 1.52 -8.92 -0.09 0
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168776 75018157 1 Cl2O2N3H19C25 A2B2C3D19E25 29.0 4.83 -8.31 -0.84 0
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168777 75018158 1 N3O4C38H43 A3B4C38D43 -89.68 4.05 -9.14 -0.26 0
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168778 75018189 1 NO5C37H55 AB5C37D55 -205.59 3.64 -8.22 -0.06 0
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168779 75018190 1 O5N10C26H38 A5B10C26D38 -178.15 6.1 -9.41 -0.05 0
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168780 75018299 1 FNO5C26H28 ABC5D26E28 -139.04 2.32 -8.4 -0.39 0
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168781 75018326 1 N2F3O5C22H23 A2B3C5D22E23 -346.41 14.17 -9.4 -1.04 0
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168782 75018327 1 N2O3C20H22 A2B3C20D22 -90.7 8.48 -9.18 -0.8 0
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168783 75018343 1 N9O9C27H37 A9B9C27D37 -349.62 8.85 -8.57 -0.28 0
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168784 75018344 2 NOC8H9 ABC8D9 -42.59 4.36 -8.7 -0.11 0
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168785 75018365 1 SCl2F3N4O6H27C30 AB2C3D4E6F27G30 -349.49 3.73 -9.15 -1.22 0
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168786 75018649 1 S2N5O6C36H45 A2B5C6D36E45 -197.37 5.48 -9.06 -0.87 0
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168787 75018787 1 O5N6C42H54 A5B6C42D54 -164.82 7.13 -9.21 -0.31 0
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168788 75019073 1 ClN2O2H25C30 AB2C2D25E30 1.69 2.34 -9.02 -0.52 0
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168789 75019510 1 FOSN4H9C13 ABCD4E9F13 25.92 4.68 -9.38 -1.87 0
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168790 75020001 1 N2F4O5C30H32 A2B4C5D30E32 -333.09 7.29 -8.75 -0.86 0
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168791 75020002 1 ClFN2O5C29H32 ABC2D5E29F32 -188.45 4.38 -8.55 -0.77 0
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168792 75020003 1 N2F3O6C30H33 A2B3C6D30E33 -328.76 2.96 -8.82 -0.46 0
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168793 75020077 1 SO2N3C20H23 AB2C3D20E23 -26.3 6.82 -8.36 -0.46 0
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168794 75020190 1 BN2O3C15H29 AB2C3D15E29 -234.19 4.96 -8.85 0.8 0
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168795 75020299 1 N3O3H17C18 A3B3C17D18 -45.01 6.01 -8.9 -1.44 0
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168796 75020300 1 NO2C24H33 AB2C24D33 -104.25 2.47 -8.8 0.14 0
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168797 75020301 1 O2N3H17C18 A2B3C17D18 -14.07 4.84 -9.26 -1.45 0
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168798 75020586 1 ClO2N5C37H44 AB2C5D37E44 -38.02 6.38 -8.85 -0.01 0
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168799 75020587 1 ClO3N5C35H40 AB3C5D35E40 -53.17 6.74 -8.86 -0.02 0
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168800 75020588 1 NS2O4F5H20C23 AB2C4D5E20F23 -354.34 10.46 -9.48 -1.05 0
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168801 75020677 1 PO6C12H17 AB6C12D17 -272.76 2.91 -8.62 -0.38 0
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168802 75020754 1 ClS2N4O5C30H45 AB2C4D5E30F45 -258.21 3.78 -8.34 -1.02 0
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168803 75020755 1 ClSN3O4C24H34 ABC3D4E24F34 -180.9 5.12 -8.44 -0.8 0
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168804 75020756 1 BrS2N3O4C26H38 AB2C3D4E26F38 -189.52 3.9 -8.33 -1.01 0
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168805 75020895 1 N3O7C30H37 A3B7C30D37 -236.79 3.74 -9.11 -0.42 0
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168806 75021003 1 ON2C33H38 AB2C33D38 14.51 3.22 -8.73 -0.33 0
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168807 75021004 3 NOC9H11 ABC9D11 -12.77 4.44 -8.78 -1.35 0
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168808 75021005 1 ON5C25H31 AB5C25D31 31.33 9.32 -8.97 -0.5 0
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168809 75021006 1 O2N3C25H33 A2B3C25D33 -32.44 4.87 -8.6 -0.62 0
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168810 75021007 1 NO3F4C20H23 AB3C4D20E23 -309.25 1.85 -9.41 -0.54 0
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168811 75021276 2 N2O2C15H20 A2B2C15D20 -155.2 4.45 -8.83 -0.32 0
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168812 75022051 1 NO16C24H31 AB16C24D31 -589.8 6.85 -9.85 -1.25 0
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168813 75022119 1 SO9C19H24 AB9C19D24 -378.53 4.87 -8.71 -0.3 0
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168814 75022293 1 O2N4C9H14 A2B4C9D14 -15.58 3.4 -9.36 -0.26 0