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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227044 87559878 1 SN3Cl4F6O8H31C35 AB3C4D6E8F31G35 -532.54 5.28 -9.78 -1.85 0
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227045 87559879 1 HfC4O4H6 AB4C4D6 -215.72 1.45 -9.04 -4.03 0
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227046 87559881 1 SN3O6C21H31 AB3C6D21E31 -219.43 7.16 -8.87 -0.45 0
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227047 87559882 1 SN3F4H7C11 AB3C4D7E11 -76.61 4.2 -8.68 -1.95 0
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227048 87559888 1 O4C11H20 A4B11C20 -208.21 3.92 -10.4 -0.04 0
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227049 87559891 1 ClN4O4C34H69 AB4C4D34E69 -290.79 3.93 -9.04 -0.59 0
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227050 87559910 1 OSC25H38 ABC25D38 -0.74 1.73 -8.95 -0.88 0
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227051 87559918 1 NSO4C6H15 ABC4D6E15 -188.19 2.68 -9.8 -0.15 0
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227052 87559919 1 NSO4C6H15 ABC4D6E15 -196.85 6.84 -10.23 -0.01 0
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227053 87559929 1 FSN3H8C10 ABC3D8E10 82.88 4.74 -8.5 -1.76 0
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227054 87559933 1 N2O5C16H16 A2B5C16D16 -49.91 6.09 -8.28 -0.44 0
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227055 87559935 1 BrClN2O2H8C14 ABC2D2E8F14 -3.55 8.22 -9.28 -1.56 0
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227056 87559940 1 S2N3O6C24H33 A2B3C6D24E33 -216.44 6.96 -9.15 -0.97 0
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227057 87559964 1 BrClNO4C13H13 ABCD4E13F13 -134.81 7.43 -10.27 -1.77 0
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227058 87559989 1 PCl2N2S2O5H13C15 AB2C2D2E5F13G15 -189.1 6.25 -9.14 -1.52 0
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227059 87559994 1 INO3C13H14 ABC3D13E14 -68.8 10.63 -9.67 -1.3 0
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227060 87559995 1 FSN3O3C28H28 ABC3D3E28F28 -35.19 10.44 -8.72 -0.99 1
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227061 87559996 1 FSN3O3C28H29 ABC3D3E28F29 -54.1 8.04 0.0 0.0 0
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227062 87559998 2 PC6H12 AB6C12 -53.83 2.21 -8.79 2.74 0
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227063 87560000 1 SiS2O3C13H30 AB2C3D13E30 -262.28 5.25 -8.59 0.74 0
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227064 87560001 1 Cl2N3O5C27H29 A2B3C5D27E29 -128.91 2.12 -8.26 -0.77 0
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227065 87560006 1 N2O3C13H16 A2B3C13D16 -46.36 2.11 -9.86 -1.48 0
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227066 87560012 1 O6C9H22 A6B9C22 -281.06 4.62 -10.01 1.23 0
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227067 87560013 1 N3C17H21 A3B17C21 43.59 1.89 -7.89 -0.16 0
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227068 87560014 1 ClLiSN2O3H4C8 ABCD2E3F4G8 -92.92 10.99 -9.99 -1.77 0
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227069 87560026 1 N4C23H52 A4B23C52 -75.23 1.98 -8.6 2.18 0
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227070 87560029 1 BOPH50C53 ABCD50E53 117.22 26.19 -7.4 -1.5 0
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227071 87560041 1 ClON5C25H28 ABC5D25E28 59.48 5.31 -9.17 -0.36 0
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227072 87560052 1 BrON2C12H15 ABC2D12E15 0.82 2.04 -8.72 -1.07 0
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227073 87560054 1 NO2S2C12H19 AB2C2D12E19 -73.28 3.62 -8.74 -0.33 0
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227074 87560061 1 BrClNO13C20H25 ABCD13E20F25 -537.34 3.13 -8.53 -1.39 0
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227075 87560062 1 ClLiNSO3H5C9 ABCDE3F5G9 -112.08 3.04 -9.77 -1.33 0
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227076 87560073 1 ON2H18C22 AB2C18D22 73.04 4.72 -8.85 -0.36 0
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227077 87560100 1 ClH7O10C18 AB7C10D18 -322.05 5.0 -10.93 -3.01 0
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227078 87560103 1 Cl2O2N6H20C25 A2B2C6D20E25 47.79 8.43 -9.02 -1.57 0
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227079 87560106 1 N2O2C35H46 A2B2C35D46 72.9 4.12 -7.75 -0.41 0
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227080 87560109 1 SO5C12H16 AB5C12D16 -174.49 6.15 -9.52 -0.83 0
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227081 87560113 2 NC4O4H7 AB4C4D7 -370.54 10.6 -9.95 -0.55 0
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227082 87560121 1 ON3C31H39 AB3C31D39 41.89 2.8 -8.63 -0.34 0
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227083 87560126 1 NF3O5C29H30 AB3C5D29E30 -324.56 1.52 -9.12 -0.65 0
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227084 87560128 1 ClNaSO3H10C18 ABCD3E10F18 -78.74 17.04 -9.05 -1.4 0
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227085 87560130 2 OC8H9 AB8C9 -43.02 4.54 -8.6 -0.53 0
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227086 87560135 1 O7F12H26C30 A7B12C26D30 -768.0 4.43 -10.1 -1.36 0
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227087 87560138 1 SF3O5H17C18 AB3C5D17E18 -333.79 4.24 -9.32 -0.86 0
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227088 87560139 1 SF3O5H21C24 AB3C5D21E24 -309.68 5.55 -9.38 -1.21 0
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227089 87560140 1 ClNaH2N2S2O3C6 ABC2D2E2F3G6 -96.21 8.47 -9.76 -1.97 0
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227090 87560159 1 AsNOSF3H3C8 ABCDE3F3G8 -83.02 2.78 -8.79 -1.96 0
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227091 87560160 1 F2S2N8O10C45H50 A2B2C8D10E45F50 -344.3 8.2 -8.94 -1.32 0
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227092 87560164 1 OS2F3N3H6C9 AB2C3D3E6F9 -141.37 4.98 -9.01 -1.48 0
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227093 87560165 1 SN3O4C13H17 AB3C4D13E17 -79.27 9.32 -8.67 -0.43 0