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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6251 67636 1 HSO3C10F21 ABC3D10E21 -1145.88 2.38 -12.62 -1.57 0
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6252 67637 1 NaO2C8F15 AB2C8D15 -891.77 9.41 -10.22 -0.86 0
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6253 67639 1 OH4C7F12 AB4C7D12 -639.78 2.11 -11.48 -0.23 0
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6254 67640 2 HO2C3F4 AB2C3D4 -549.97 4.0 -12.02 -1.05 0
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6255 67647 1 BrFH6C10 ABC6D10 -3.86 0.85 -9.15 -0.93 0
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6256 67654 1 FOBr2H3C6 ABC2D3E6 -59.24 1.28 -9.52 -1.02 0
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6257 67668 1 ClNF3H5C10 ABC3D5E10 -119.61 3.59 -9.93 -1.54 0
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6258 67682 1 OF3H7C9 AB3C7D9 -180.08 5.52 -10.6 -1.13 0
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6259 67691 1 FH7C8 AB7C8 -10.62 1.83 -9.51 -0.33 0
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6260 67697 1 F2O3C6H8 A2B3C6D8 -233.29 4.55 -10.98 -0.56 0
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6261 67698 1 OF4H4C7 AB4C4D7 -227.13 0.91 -9.91 -0.7 0
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6262 67707 1 CFBr3 ABC3 -25.26 0.43 -10.98 -2.32 0
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6263 67711 1 HC2F2Cl3 AB2C2D3 -128.25 1.44 -11.46 -0.82 0
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6264 67713 1 OC2Cl2F2 AB2C2D2 -150.81 0.59 -11.66 -1.63 0
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6265 67719 1 BrC2F5 AB2C5 -249.11 0.85 -11.96 -2.1 0
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6266 67720 2 CIF2 ABC2 -165.2 0.0 -10.75 -2.97 0
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6267 67724 2 C2F5 A2B5 -515.49 0.42 -14.55 -0.56 0
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6268 67748 1 SiF2C4H10 AB2C4D10 -220.69 2.5 -9.82 1.0 0
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6269 67771 1 BrO2N4C10H15 AB2C4D10E15 -78.43 5.19 -8.38 -0.79 0
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6270 67774 1 FNC7H8 ABC7D8 -35.2 3.32 -8.6 0.17 0
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6271 67802 2 FC7H14 AB7C14 -164.34 2.56 -10.72 3.23 0
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6272 67806 1 IH2C4F7 AB2C4D7 -347.98 2.4 -10.46 -1.88 0
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6273 67820 1 HSO3C7F15 ABC3D7E15 -857.57 1.89 -12.64 -1.61 0
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6274 67826 2 NC3F4 AB3C4 -318.98 0.02 -13.55 -0.81 0
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6275 67831 1 O2C5F6H6 A2B5C6D6 -397.28 1.4 -11.28 0.47 0
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6276 67834 2 F2O2C4H5 A2B2C4D5 -373.77 2.55 -11.5 -0.29 0
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6277 67842 1 SF2O2H8C12 AB2C2D8E12 -122.61 4.42 -10.47 -0.88 0
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6278 67843 1 ClF2O2C4H5 AB2C2D4E5 -200.07 3.01 -11.39 -0.95 0
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6279 67844 1 OSF3C4H5 ABC3D4E5 -200.01 3.96 -10.08 -0.94 0
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6280 67865 1 N2O2F3H5C7 A2B2C3D5E7 -151.87 6.24 -9.84 -1.5 0
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6281 67870 1 F3N3C9H10 A3B3C9D10 -91.4 5.27 -8.88 -0.72 0
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6282 67882 1 FO3H7C8 AB3C7D8 -143.57 3.16 -9.64 -0.69 0
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6283 67883 1 FH7C8 AB7C8 -10.25 1.7 -9.32 -0.25 0
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6284 67889 1 O2F3C5H5 A2B3C5D5 -229.8 3.25 -11.56 -0.75 0
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6285 67892 1 ClFC5H10 ABC5D10 -83.81 2.15 -10.63 0.85 0
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6286 67893 1 FNSC4H6 ABCD4E6 -21.95 4.19 -9.58 -0.54 0
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6287 67917 1 IC4F9 AB4C9 -433.47 1.42 -11.0 -2.71 0
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6288 67920 1 IC10F21 AB10C21 -1016.31 1.42 -10.96 -2.68 0
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6289 67924 1 SC3F3O3H5 AB3C3D3E5 -280.43 3.1 -11.76 -1.3 0
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6290 67925 1 OC3F6 AB3C6 -329.6 1.47 -13.12 -0.46 0
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6291 67926 1 OC3F4H4 AB3C4D4 -256.65 2.51 -11.7 0.38 0
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6292 67927 1 HSiC3Cl3F6 ABC3D3E6 -429.39 1.44 -11.66 -1.43 0
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6293 67933 1 SiF3O3C6H13 AB3C3D6E13 -392.1 6.16 -10.3 0.49 0
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6294 67948 2 OH8C14 AB8C14 68.1 0.06 -8.5 -2.33 0
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6295 67949 2 F5C6 A5B6 -389.92 0.0 -10.82 -1.66 0
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6296 67952 1 ClO2F3N3H15C24 AB2C3D3E15F24 -118.68 2.45 -8.82 -2.03 0
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6297 67956 2 NC2H2O2 AB2C2D2 -146.91 4.7 -9.46 -0.92 0
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6298 67958 1 OF3H5C7 AB3C5D7 -182.9 4.61 -9.72 -0.66 0
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6299 67960 1 BrNF3H5C7 ABC3D5E7 -139.42 4.0 -9.03 -0.66 0
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6300 67964 1 FNOH6C7 ABCD6E7 -64.12 3.22 -10.21 -0.78 0
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6301 67965 1 FNO2H6C7 ABC2D6E7 -36.85 4.64 -10.24 -1.56 0
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6302 67970 1 FOH5C7 ABC5D7 -50.84 3.24 -10.23 -0.98 0
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6303 67971 1 F3H5C8 A3B5C8 -101.35 2.19 -9.79 -0.51 0
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6304 67972 1 NF3H4C8 AB3C4D8 -103.98 5.78 -10.71 -1.33 0
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6305 67982 1 FNC7H8 ABC7D8 -33.66 3.15 -8.49 0.06 0
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6306 67992 1 FSO4H5C7 ABC4D5E7 -183.79 5.86 -11.2 -1.64 0
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6307 67999 1 FOH5C7 ABC5D7 -64.0 4.48 -10.42 -1.08 0
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6308 68003 1 O2N3H6C7 A2B3C6D7 67.53 2.75 0.0 0.0 1
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6309 68004 1 FOC9H9 ABC9D9 -69.13 2.64 -10.13 -0.7 0
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6310 68006 1 BO2N3F4H4C6 AB2C3D4E4F6 -237.53 4.45 -9.47 -1.64 0
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6311 68021 1 BrFH6C7 ABC6D7 -28.85 1.81 -9.67 -0.77 0
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6312 68025 1 ClFNOC4H7 ABCDE4F7 -108.77 0.73 -10.32 0.44 0
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6313 68034 1 FSC3O3H7 ABC3D3E7 -182.61 3.32 -11.27 0.02 0
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6314 68058 2 OH7C14 AB7C14 47.6 0.52 -8.93 -1.94 0
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6315 68066 1 O8H18C19 A8B18C19 -310.81 8.53 -9.1 -1.29 0
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6316 68067 2 NC5H5 AB5C5 37.47 1.78 -7.99 -0.16 0
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6317 68069 1 NC12H15 AB12C15 9.14 2.37 -7.72 0.74 0
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6318 68077 1 O7C20H20 A7B20C20 -190.69 3.61 -8.72 -0.77 0
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6319 68079 1 O5H10C13 A5B10C13 -123.7 8.37 -8.67 -1.08 0
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6320 68082 4 OH2C3 AB2C3 -98.93 5.85 -9.09 -0.94 0
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6321 68084 2 H7C8 A7B8 35.45 0.6 -8.55 -0.39 0
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6322 68085 1 NO2H9C12 AB2C9D12 -2.11 4.77 -8.71 -0.86 0
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6323 68092 1 NO2H7C10 AB2C7D10 -31.96 5.52 -9.69 -1.57 0
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6324 68093 1 O6H10C11 A6B10C11 -229.98 4.21 -9.68 -0.98 0
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6325 68096 4 OH3C4 AB3C4 -84.01 10.77 -8.68 -1.38 0