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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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435994 135193221 1 NH51C70 AB51C70 266.89 1.06 -7.96 -0.5 0
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435995 135193234 2 NH25C35 AB25C35 279.4 2.7 -7.9 -0.57 0
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435996 135193244 2 NH25C35 AB25C35 281.53 2.1 -8.03 -0.63 0
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435997 135193253 1 NH47C64 AB47C64 243.11 1.12 -7.99 -0.46 0
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435998 135193255 2 NH23C32 AB23C32 256.44 1.9 -7.96 -0.52 0
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435999 135193261 1 NH51C71 AB51C71 280.0 1.0 -8.04 -0.46 0
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436000 135193268 1 NH47C64 AB47C64 244.6 0.58 -8.15 -0.49 0
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436001 135193278 1 NOH43C54 ABC43D54 149.43 2.75 -7.94 -0.38 0
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436002 135193282 1 NH49C57 AB49C57 166.03 2.39 -7.92 -0.39 0
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436003 135193306 1 NOH45C64 ABC45D64 221.01 1.14 -7.97 -0.67 0
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436004 135193307 1 NH31C40 AB31C40 142.91 0.86 -7.96 -0.49 0
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436005 135193315 2 N2H21C31 A2B21C31 299.92 1.45 -8.42 -0.61 0
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436006 135193324 1 N3H27C41 A3B27C41 207.79 2.98 -8.5 -0.65 0
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436007 135193325 1 N3H25C41 A3B25C41 212.13 3.1 -8.27 -0.85 0
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436008 135193326 1 N5H23C37 A5B23C37 225.96 3.92 -8.35 -0.94 0
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436009 135193327 1 N5H27C43 A5B27C43 249.57 2.38 -8.37 -0.98 0
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436010 135193335 1 O2F3N5C21H24 A2B3C5D21E24 -123.99 4.21 -8.4 -0.51 0
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436011 135193346 2 NO2H8C11 AB2C8D11 -72.19 4.81 -8.86 -1.41 0
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436012 135193352 1 OF2C26H38 AB2C26D38 -159.38 1.4 -8.93 -0.12 0
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436013 135193362 2 FC11H17 AB11C17 -144.75 2.61 -9.44 -0.04 0
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436014 135193365 1 OF2C21H30 AB2C21D30 -143.39 4.33 -8.93 -0.15 0
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436015 135193369 1 F2C27H42 A2B27C42 -160.08 2.37 -9.43 -0.03 0
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436016 135193376 1 F2C19H22 A2B19C22 -87.36 2.49 -9.05 -0.14 0
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436017 135193377 1 OF2C18H20 AB2C18D20 -112.49 1.37 -8.9 -0.17 0
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436018 135193378 1 OF2C20H24 AB2C20D24 -122.56 3.93 -8.92 -0.18 0
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436019 135193379 2 FC9H10 AB9C10 -82.22 2.54 -9.05 -0.13 0
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436020 135193389 2 FC14H16 AB14C16 -79.28 2.61 -8.76 -0.18 0
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436021 135193392 1 OF2H22C23 AB2C22D23 -82.21 1.06 -8.89 -0.31 0
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436022 135193394 1 F2C27H30 A2B27C30 -73.31 2.39 -9.03 -0.36 0
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436023 135193401 1 N2O5H16C28 A2B5C16D28 -61.94 4.51 -8.94 -1.46 0
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436024 135193403 1 OSN5C24H25 ABC5D24E25 71.38 4.22 -7.97 -0.7 0
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436025 135193413 1 N3C26H39 A3B26C39 20.13 3.94 -7.62 0.99 0
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436026 135193417 1 S2N5O8C64H75 A2B5C8D64E75 -185.27 9.56 -7.8 -1.0 0
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436027 135193418 1 BrO2N4C30H37 AB2C4D30E37 -14.86 1.04 -8.43 -1.24 0
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436028 135193419 1 N2O5H20C29 A2B5C20D29 -54.31 6.26 -8.88 -1.41 0
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436029 135193424 1 O4H12C15 A4B12C15 -77.55 7.34 -9.73 -1.6 0
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436030 135193428 2 SN2O4C31H40 AB2C4D31E40 -250.51 7.95 -8.42 -0.44 0
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436031 135193435 1 O3N6C24H26 A3B6C24D26 -9.03 4.02 -9.28 -0.54 0
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436032 135193438 1 ON2C22H32 AB2C22D32 5.58 4.19 -8.56 -0.03 0
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436033 135193444 1 N3O5C11H15 A3B5C11D15 -203.98 3.47 -9.8 -0.91 0
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436034 135193445 1 ON3C12H23 AB3C12D23 -31.88 2.93 -8.75 0.9 0
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436035 135193452 1 FON5C25H32 ABC5D25E32 2.52 5.08 -8.49 -0.33 1
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436036 135193458 1 SN3O5C23H36 AB3C5D23E36 -231.99 6.81 0.0 0.0 0
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436037 135193462 1 SN2O2H34C36 AB2C2D34E36 66.0 11.23 -6.06 -1.07 0
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436038 135193466 1 F3O3N5C24H32 A3B3C5D24E32 -132.86 6.2 -8.16 -0.43 0
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436039 135193483 2 O2C8H11 A2B8C11 -179.01 2.42 -9.32 0.11 0
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436040 135193484 1 N2O3C14H18 A2B3C14D18 -106.17 6.62 -9.64 -0.49 0
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436041 135193488 1 PO5C15H23 AB5C15D23 -281.78 3.07 -9.08 0.31 0
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436042 135193520 1 ClN2O2H11C13 AB2C2D11E13 -24.68 4.65 -9.87 -1.12 0
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436043 135193524 1 BrO2F3H10C11 AB2C3D10E11 -235.8 4.26 -10.12 -0.98 0
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436044 135193525 1 ClO4C14H17 AB4C14D17 -178.31 1.54 -9.51 -0.32 0
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436045 135193531 1 NO5C25H27 AB5C25D27 -189.17 3.25 -8.61 -0.72 0
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436046 135193533 1 BrS2O4C12H17 AB2C4D12E17 -144.79 4.21 -8.78 -0.97 0
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436047 135193550 1 ClN2O5H7C12 AB2C5D7E12 -73.76 9.22 -9.84 -2.11 0
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436048 135193556 1 NSO2C20H23 ABC2D20E23 -56.51 2.26 -8.45 -1.03 0
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436049 135193562 1 O2N6C11H24 A2B6C11D24 -35.39 6.03 -9.55 -0.16 0
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436050 135193565 1 O2N3H23C24 A2B3C23D24 12.72 1.02 -8.17 -1.08 0
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436051 135193572 1 SN2O3C22H44 AB2C3D22E44 -214.83 2.68 -8.56 0.71 0
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436052 135193575 1 N5O7C45H45 A5B7C45D45 -108.89 3.73 -7.95 -0.87 0
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436053 135193579 2 FON2C15H19 ABC2D15E19 -142.48 6.22 -8.48 -0.03 0
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436054 135193583 2 FN2O2C17H21 AB2C2D17E21 -230.3 8.25 -9.06 -0.5 0
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436055 135193587 1 F2N4O5C33H38 A2B4C5D33E38 -267.96 2.97 -8.87 -0.44 0
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436056 135193594 1 F2N7O14C48H67 A2B7C14D48E67 -665.58 9.01 -8.79 -0.47 0
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436057 135193628 1 SN3O3F5H20C27 AB3C3D5E20F27 -270.13 7.65 -9.36 -1.1 0
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436058 135193635 1 N2P2O15C20H38 A2B2C15D20E38 -814.93 4.61 -10.08 0.1 0
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436059 135193636 1 FON4C22H29 ABC4D22E29 -76.46 2.21 -8.3 0.13 0
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436060 135193647 1 S3N5O10C31H51 A3B5C10D31E51 -397.09 3.21 -8.74 -1.43 0
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436061 135193649 1 IN5O8C46H46 AB5C8D46E46 -11.54 11.76 -8.31 -1.08 0
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436062 135193650 1 O2F3N4C27H29 A2B3C4D27E29 -176.71 7.68 -8.56 -0.31 0
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436063 135193654 1 ClOSN8C27H37 ABCD8E27F37 61.63 12.92 -8.36 -0.75 0
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436064 135193655 1 SO2N7C24H33 AB2C7D24E33 11.66 9.15 -7.88 -0.67 0
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436065 135193661 1 OSN7C29H37 ABC7D29E37 55.72 4.28 -8.32 -0.71 0
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436066 135193665 1 OSN6C13H22 ABC6D13E22 5.49 6.53 -8.42 -0.63 0
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436067 135193666 1 OSN7C28H39 ABC7D28E39 32.08 6.43 -7.58 -0.49 0
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436068 135193667 1 ClO2F3N6H26C27 AB2C3D6E26F27 -140.27 3.14 -8.6 -1.48 0
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436069 135193680 1 ClO2F3N5C29H29 AB2C3D5E29F29 -168.75 4.68 -8.46 -0.77 0
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436070 135193681 1 OSN6C28H40 ABC6D28E40 23.35 9.94 -8.12 -0.59 0
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436071 135193682 1 INSC5H8 ABCD5E8 40.98 3.88 -8.77 -2.44 0
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436072 135193689 1 N2O5C16H30 A2B5C16D30 -280.49 2.4 -9.7 0.33 0
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436073 135193690 1 N2O5C15H28 A2B5C15D28 -278.06 2.35 -9.96 0.23 0
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436074 135193691 1 PO2C31H49 AB2C31D49 -143.63 2.58 -7.86 0.26 0
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436075 135193695 1 N7O12C55H85 A7B12C55D85 -540.11 5.98 -9.17 0.05 0
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436076 135193697 1 ON4C27H28 AB4C27D28 51.52 5.66 -8.24 -0.89 0
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436077 135193709 1 ClO2F3N5C22H23 AB2C3D5E22F23 -182.29 4.09 -8.7 -1.42 0
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436078 135193713 1 FO2H9C17 AB2C9D17 -52.44 2.6 -9.22 -1.28 0
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436079 135193714 1 F2O2H8C17 A2B2C8D17 -91.0 2.29 -9.28 -1.39 0
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436080 135193719 1 ClO2H9C17 AB2C9D17 -10.48 1.46 -9.11 -1.26 0
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436081 135193723 1 O2F3H9C18 A2B3C9D18 -166.32 5.66 -9.35 -1.44 0
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436082 135193738 1 FO2H9C17 AB2C9D17 -51.5 3.74 -9.14 -1.34 0
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436083 135193740 1 ClO2H9C17 AB2C9D17 -13.65 2.52 -9.2 -1.31 0
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436084 135193748 1 F2O2H8C17 A2B2C8D17 -95.42 5.23 -9.35 -1.48 0
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436085 135193752 2 O2H5C9 A2B5C9 -60.86 2.57 -8.4 -1.21 0
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436086 135193759 1 F2O2H8C17 A2B2C8D17 -100.46 3.76 -9.49 -1.43 0
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436087 135193760 1 F2O2H8C17 A2B2C8D17 -94.61 2.97 -9.37 -1.4 0
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436088 135193764 1 O6H10C19 A6B10C19 -120.87 1.76 -8.4 -1.24 0
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436089 135193769 1 F3O3H11C19 A3B3C11D19 -201.47 4.19 -9.37 -1.4 0
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436090 135193775 1 O3H14C19 A3B14C19 -57.34 1.55 -8.79 -0.99 0
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436091 135193788 1 FO3H11C18 AB3C11D18 -91.28 3.65 -9.09 -1.12 0
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436092 135193789 1 F3O3H11C19 A3B3C11D19 -196.97 3.57 -9.12 -1.32 0
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436093 135193792 1 FO3H11C18 AB3C11D18 -90.68 2.93 -8.89 -1.28 0