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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
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184920 77229305 1 ClF3N3O5H21C24 AB3C3D5E21F24 -324.31 12.64 -9.54 -1.05 0
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184921 77229306 1 ClO3N7C22H24 AB3C7D22E24 -7.37 7.11 -8.52 -0.81 0
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184922 77229359 1 ClN3O7C32H36 AB3C7D32E36 -266.71 5.5 -8.46 -0.57 0
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184923 77229764 1 NSO4C7H13 ABC4D7E13 -171.57 3.44 -9.86 0.29 0
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184924 77229810 1 IOF2N3H14C16 ABC2D3E14F16 -43.79 8.62 -9.05 -1.08 0
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184925 77229811 1 FO3N5C23H24 AB3C5D23E24 -86.45 3.6 -9.67 -0.97 0
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184926 77230011 2 NOC9H11 ABC9D11 -46.73 3.13 -8.94 -0.36 0
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184927 77230866 1 NOCl2H11C12 ABC2D11E12 -21.9 4.81 -8.92 -0.88 0
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184928 77231141 1 ClNO2C10H12 ABC2D10E12 -76.53 1.8 -9.53 -0.88 0
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184929 77231670 1 SO30N35C99H171 AB30C35D99E171 -1471.13 13.12 -9.18 -0.43 0
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184930 77231671 1 SO30N32C101H172 AB30C32D101E172 -1480.12 12.84 -9.07 0.06 0
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184931 77231684 1 SO30N35C103H179 AB30C35D103E179 -1506.44 12.19 -8.99 -0.32 1
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184932 77231934 1 ClSF2O2N4H24C29 ABC2D2E4F24G29 -61.58 6.16 0.0 0.0 1
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184933 77231935 1 SF2O2N4H27C30 AB2C2D4E27F30 -62.49 5.17 0.0 0.0 0
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184934 77232206 1 OSN4C13H14 ABC4D13E14 27.26 5.67 -9.18 -1.42 0
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184935 77232207 1 ClS2N5O5C22H28 AB2C5D5E22F28 -178.83 3.19 -9.25 -0.61 0
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184936 77232208 1 SCl2N4O4C16H22 AB2C4D4E16F22 -179.92 1.93 -9.32 -0.54 0
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184937 77233122 1 BrClFN4O4C26H29 ABCD4E4F26G29 -172.11 6.38 -9.87 -1.24 0
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184938 77233123 1 ClN4O4C26H31 AB4C4D26E31 -127.89 6.1 -9.94 -0.92 0
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184939 77233138 1 O3N8H22C24 A3B8C22D24 16.23 7.15 -8.84 -1.25 0
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184940 77233152 1 O5N6C26H28 A5B6C26D28 -111.31 0.89 -8.94 -1.07 0
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184941 77233153 2 N3O3C13H14 A3B3C13D14 -111.34 7.47 -9.35 -1.31 -1
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184942 77233154 1 N6O6C26H27 A6B6C26D27 -110.36 3.11 0.0 0.0 0
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184943 77233273 1 N2S3O6C30H48 A2B3C6D30E48 -227.36 2.7 -8.34 -0.07 0
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184944 77233370 1 SN4O5C9H18 AB4C5D9E18 -182.47 5.36 -8.29 -0.46 -1