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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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215637 85085016 1 O12N14C53H92 A12B14C53D92 -626.86 6.1 -9.3 0.16 0
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215638 85085017 1 ClS3O8N9C56H60 AB3C8D9E56F60 -57.37 50.06 -6.22 -2.71 1
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215639 85085018 1 S3O8N9C56H60 A3B8C9D56E60 -89.01 2.73 0.0 0.0 0
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215640 85085020 2 O11C28H47 A11B28C47 -1066.07 5.38 -9.28 0.37 0
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215641 85085021 2 N4O6C30H47 A4B6C30D47 -598.36 5.66 -9.37 0.06 0
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215642 85085022 1 O13N16C50H88 A13B16C50D88 -658.57 2.97 -9.1 0.0 0
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215643 85085024 1 O11N15C55H75 A11B15C55D75 -385.57 11.85 -8.96 -0.35 0
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215644 85085025 2 SO6N9C23H32 AB6C9D23E32 -424.45 24.27 -7.3 -1.2 0
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215645 85085026 1 O11N14C56H78 A11B14C56D78 -466.14 6.64 -8.49 -0.44 0
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215646 85085027 1 NO13C66H109 AB13C66D109 -715.47 6.13 -9.75 -0.96 0
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215647 85085028 2 SO5N9C24H36 AB5C9D24E36 -335.97 9.42 -9.17 -1.62 0
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215649 85085030 1 N17O17C45H75 A17B17C45D75 -751.71 15.49 -9.3 -0.82 0
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215650 85085031 1 N9O14C59H67 A9B14C59D67 -406.14 4.84 -8.31 -1.9 0
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215651 85085032 1 S2N10O11C55H86 A2B10C11D55E86 -542.37 5.76 -8.4 -0.06 0
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215652 85085034 1 SN10O19C48H76 AB10C19D48E76 -920.54 6.0 -8.81 -0.26 0
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215653 85085035 1 O13N16C51H84 A13B16C51D84 -600.79 8.17 -9.28 -0.36 0
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215654 85085036 1 SN11O15C53H67 AB11C15D53E67 -603.12 6.7 -8.78 -0.5 0
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215655 85085037 1 SN12O14C52H84 AB12C14D52E84 -682.36 10.52 -8.5 -0.2 0
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215656 85085038 1 S2O11N15C51H71 A2B11C15D51E71 -455.37 6.23 -9.12 -0.94 0
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215657 85085039 1 P3N9O25C39H58 A3B9C25D39E58 -1286.91 4.5 -9.83 -0.6 0
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215658 85085040 1 O10N27C43H85 A10B27C43D85 -417.88 4.5 -9.26 -0.23 0
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215659 85085042 1 SN16O16C46H76 AB16C16D46E76 -708.15 6.71 -8.98 -0.53 0
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215660 85085043 1 O25C54H92 A25B54C92 -1210.31 6.15 -9.66 0.4 0
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215661 85085044 1 O13N16C52H84 A13B16C52D84 -561.83 12.83 -9.22 0.13 0
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215663 85085048 1 SN13O18C47H79 AB13C18D47E79 -830.67 10.0 -9.2 -0.8 0