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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39003 8138325 1 ClO2S2N3C12H12 AB2C2D3E12F12 -13.31 2.91 -9.14 -0.74 0
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39004 8138329 1 N3O3C14H15 A3B3C14D15 -57.6 3.35 -9.01 -0.28 0
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39005 8138336 1 FSN4O4C17H19 ABC4D4E17F19 -142.05 3.46 -9.38 -0.77 0
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39006 8138338 1 N3O4C19H23 A3B4C19D23 -89.88 2.74 -8.43 -0.8 0
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39007 8138340 1 BrN3O3C14H14 AB3C3D14E14 -52.72 1.8 -9.15 -0.43 0
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39008 8138341 1 ClOSN5C20H22 ABCD5E20F22 51.08 8.78 -9.11 -0.85 0
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39009 8138343 1 ClOSN5C20H22 ABCD5E20F22 51.68 7.22 -9.18 -0.91 0
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39010 8138344 1 SN3O5H19C20 AB3C5D19E20 -137.2 1.51 -9.33 -1.35 0
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39011 8138349 1 SO2N3C15H19 AB2C3D15E19 -37.74 2.67 -9.24 -0.77 0
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39012 8138352 1 OSN3C13H15 ABC3D13E15 8.69 1.93 -9.15 -1.2 0
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39013 8138356 1 OSN3H19C20 ABC3D19E20 35.93 3.59 -8.87 -0.96 0
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39014 8138358 1 ClN3O3C17H20 AB3C3D17E20 -85.69 1.51 -8.93 -0.45 0
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39015 8138359 1 ClOSN4H11C17 ABCD4E11F17 109.23 2.9 -9.35 -1.32 0
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39016 8138360 1 O3N5C18H19 A3B5C18D19 -33.87 1.69 -8.98 -1.11 0
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39017 8138361 1 SO2N3C13H13 AB2C3D13E13 -9.84 2.36 -9.14 -0.62 0
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39018 8138362 1 S2N3O3C19H23 A2B3C3D19E23 -84.14 7.49 -9.37 -1.4 0
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39019 8138364 1 S2N3O3C19H23 A2B3C3D19E23 -80.84 5.15 -9.15 -1.19 0
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39020 8138365 1 O2S2N5C16H17 A2B2C5D16E17 -2.79 3.03 -8.79 -0.94 0
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39021 8138368 1 ClN3O4C14H14 AB3C4D14E14 -91.94 2.94 -8.91 -0.68 0
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39022 8138377 1 BrSN4O4C13H13 ABC4D4E13F13 -80.82 4.05 -9.0 -0.94 0
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39023 8138380 1 OSN3H17C19 ABC3D17E19 57.01 2.34 -9.25 -1.3 0
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39024 8138382 1 SN4O4C15H18 AB4C4D15E18 -98.83 5.4 -9.22 -0.55 0
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39025 8138383 1 SO2N3H17C21 AB2C3D17E21 15.65 4.28 -8.78 -1.18 0
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39026 8138384 1 ClSN4O4C14H15 ABC4D4E14F15 -101.78 3.81 -9.18 -0.43 0
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39027 8138385 1 SO3N5H13C15 AB3C5D13E15 -60.51 7.55 -8.83 -0.89 0
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39028 8138390 1 OSN4H16C19 ABC4D16E19 83.02 3.03 -9.23 -1.34 1
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39029 8138392 1 ClO2F3N5C17H18 AB2C3D5E17F18 -180.69 5.71 0.0 0.0 0
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39030 8138393 1 ClO2F3N5C17H17 AB2C3D5E17F17 -179.8 6.78 -8.95 -0.74 0
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39031 8138397 1 OSN3C13H15 ABC3D13E15 0.97 5.29 -9.26 -1.22 0
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39032 8138400 1 OSN3C20H21 ABC3D20E21 26.11 2.91 -8.88 -0.98 0
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39033 8138402 1 OSN3C20H21 ABC3D20E21 26.14 3.27 -8.87 -0.95 0
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39034 8138404 1 FO2N3H12C14 AB2C3D12E14 -42.88 1.75 -9.28 -0.81 0
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39035 8138406 1 SO2N3C15H17 AB2C3D15E17 -28.75 2.59 -8.72 -0.33 0
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39036 8138408 1 SO2N3C15H17 AB2C3D15E17 -29.42 2.6 -8.97 -0.47 0
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39037 8138411 1 BrN4O4H9C12 AB4C4D9E12 -8.42 6.14 -9.73 -1.5 0
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39038 8138412 1 ClN3O4C16H16 AB3C4D16E16 -79.41 5.08 -8.72 -1.01 0
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39039 8138413 1 N2O5C22H22 A2B5C22D22 -92.4 3.44 -9.44 -0.83 0
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39040 8138415 1 SN3O4C13H13 AB3C4D13E13 -88.69 6.98 -9.24 -1.3 0
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39041 8138416 1 ClN2O5H17C20 AB2C5D17E20 -84.9 4.09 -9.51 -0.98 0
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39042 8138417 1 SF2O2N3H17C20 AB2C2D3E17F20 -87.61 3.31 -9.16 -0.53 0
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39043 8138419 1 ClSO2N3H18C20 ABC2D3E18F20 -3.01 4.13 -9.1 -0.57 0
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39044 8138420 1 FN2O5H19C21 AB2C5D19E21 -154.01 2.28 -9.64 -1.31 0
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39045 8138422 1 FN2O5H19C21 AB2C5D19E21 -151.37 4.13 -9.56 -1.37 0
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39046 8138423 1 ClSO2N3C14H14 ABC2D3E14F14 -25.27 1.32 -9.14 -0.48 0
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39047 8138424 1 NSO7C20H25 ABC7D20E25 -245.51 8.53 -9.47 -0.57 0
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39048 8138425 1 ClN3O3H12C13 AB3C3D12E13 -56.08 0.99 -9.52 -0.45 0
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39049 8138426 1 SO2N3C14H15 AB2C3D14E15 -13.7 2.33 -8.78 -0.6 0
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39050 8138505 1 SN3O4H19C21 AB3C4D19E21 -51.89 5.43 -8.97 -0.77 0
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39051 8138524 2 ON2H6C7 AB2C6D7 10.16 1.27 -8.93 -0.75 0
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39052 8138561 1 N2O5H22C24 A2B5C22D24 -104.66 3.39 -9.32 -0.6 0