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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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184895 77225474 1 BrN2O3C20H25 AB2C3D20E25 -109.55 4.12 -9.46 -0.49 0
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184896 77225475 1 BrN2O3C20H25 AB2C3D20E25 -103.22 7.83 -9.55 -0.39 0
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184897 77225578 1 ClSN2O6C31H39 ABC2D6E31F39 -253.11 10.44 -9.36 -0.74 0
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184898 77226302 1 O5N6C30H40 A5B6C30D40 -158.24 6.95 -9.45 -0.28 0
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184899 77226782 1 N5O5C19H23 A5B5C19D23 -148.29 4.58 -8.94 -0.66 0
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184900 77226985 2 ClON3C6H7 ABC3D6E7 5.82 7.83 -9.98 -1.12 0
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184901 77226986 1 N5O7C18H21 A5B7C18D21 -207.99 3.12 -9.04 -0.83 0
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184902 77227102 1 ClO4N5H18C22 AB4C5D18E22 -6.17 5.9 -9.03 -2.57 0
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184903 77227139 1 N4O5C21H26 A4B5C21D26 -138.26 4.53 -8.33 -0.95 0
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184904 77227140 1 ClNO3C10H12 ABC3D10E12 -110.74 8.71 -10.16 -0.11 0
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184905 77227269 1 ClNO3C11H14 ABC3D11E14 -106.77 7.14 -9.77 0.3 0
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184906 77227292 1 N5O8H31C34 A5B8C31D34 -219.51 10.16 -9.45 -1.49 0
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184907 77227293 1 FSN4O7H21C24 ABC4D7E21F24 -147.38 5.84 -8.96 -2.81 0
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184908 77227429 1 O2N3C17H25 A2B3C17D25 -84.55 4.05 -8.59 0.03 1
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184909 77227717 1 ClN5O7C44H51 AB5C7D44E51 -172.68 9.76 0.0 0.0 0
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184910 77228164 1 O3N7H21C23 A3B7C21D23 -2.23 11.11 -9.05 -1.27 0
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184911 77228339 1 ON6C23H26 AB6C23D26 59.37 6.6 -8.74 -0.76 0
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184912 77228425 1 FOCl2N2H7C14 ABC2D2E7F14 -21.48 4.14 -9.33 -1.59 -1
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184913 77228601 1 BrSN4O7H26C27 ABC4D7E26F27 -33.6 7.53 0.0 0.0 0
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184914 77228602 1 BrSN4O7C27H27 ABC4D7E27F27 -111.63 9.72 -9.05 -1.53 0
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184915 77228934 1 O2S3N5C17H21 A2B3C5D17E21 10.79 2.08 -9.12 -1.52 0
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184916 77229172 1 ClN4O5H25C26 AB4C5D25E26 -153.99 3.36 -8.52 -0.39 0
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184917 77229173 1 ClN3O7C28H32 AB3C7D28E32 -264.38 3.18 -8.98 -0.54 0
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184918 77229303 1 BrN3O5H22C23 AB3C5D22E23 -160.95 5.86 -8.97 -0.61 0
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184919 77229304 1 ClN3O6C28H32 AB3C6D28E32 -238.35 2.49 -8.45 -0.43 0