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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6201 67474 1 SH8C12 AB8C12 57.19 0.81 -8.66 -0.79 0
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6202 67475 1 OH8C12 AB8C12 23.44 0.38 -8.74 -0.46 0
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6203 67476 1 N2H8C11 A2B8C11 73.73 2.17 -8.76 -0.82 0
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6204 67481 7 H2C3 A2B3 80.04 0.75 -8.4 -0.76 0
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6205 67489 1 N3H5C7 A3B5C7 83.73 5.63 -10.37 -1.5 0
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6206 67503 1 SeN2H4C6 AB2C4D6 162.28 1.03 -7.99 -2.78 0
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6207 67511 2 OC2H3 AB2C3 -44.75 1.87 -9.98 1.46 0
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6208 67514 1 SiC3H8 AB3C8 -7.46 0.36 -9.76 0.43 0
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6209 67519 1 CH2N4 AB2C4 79.91 2.29 -11.45 -0.62 0
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6210 67525 15 CH2 AB2 -69.23 0.06 -10.36 4.13 0
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6211 67527 2 SO2C6H12 AB2C6D12 -179.37 1.19 -8.85 0.25 0
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6212 67528 2 ClN4H15C19 AB4C15D19 446.64 23.31 -6.5 -3.66 2
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6213 67531 1 SN4O4C26H26 AB4C4D26E26 -89.31 4.58 -9.0 -0.86 0
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6214 67532 1 NBr2O3C9H9 AB2C3D9E9 -106.46 3.81 -9.6 -1.03 0
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6215 67533 2 ClNC9H12 ABC9D12 -21.69 4.26 -8.85 -0.22 0
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6216 67535 1 NO2C11H11 AB2C11D11 -60.88 2.6 -10.25 -1.33 0
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6217 67538 1 NO3C16H23 AB3C16D23 -94.46 5.53 -8.43 0.14 0
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6218 67539 1 SN2O3H4C6 AB2C3D4E6 24.3 17.25 -9.75 -3.54 0
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6219 67542 1 HO2C6F11 AB2C6D11 -622.58 2.44 -12.14 -0.88 0
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6220 67545 1 HO2C12F23 AB2C12D23 -1205.91 2.44 -12.1 -0.95 0
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6221 67546 1 IC12F25 AB12C25 -1208.1 1.47 -10.99 -2.7 0
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6222 67547 1 IC14F29 AB14C29 -1399.38 0.98 -11.0 -2.72 0
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6223 67550 1 H2O2C11F20 A2B2C11D20 -1054.06 3.74 -12.13 -0.89 0
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6224 67554 1 NPCl2O6C10H12 ABC2D6E10F12 -242.48 4.48 -10.44 -1.53 0
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6225 67556 1 FSO2H9C12 ABC2D9E12 -74.05 5.6 -10.23 -0.74 0
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6226 67561 1 ClOF3H4C8 ABC3D4E8 -178.85 5.64 -10.88 -1.54 0
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6227 67562 1 F5H5C8 A5B5C8 -239.43 3.87 -10.58 -0.97 0
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6228 67563 1 OF4H4C8 AB4C4D8 -220.58 6.21 -10.98 -1.61 0
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6229 67564 2 F4C5 A4B5 -307.52 0.0 -10.01 -2.03 0
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6230 67565 1 NOSC19H19 ABCD19E19 30.76 4.7 -8.22 -0.36 0
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6231 67566 1 HNO2F4C6 ABC2D4E6 -153.06 3.55 -11.14 -1.89 0
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6232 67571 1 N2H10C15 A2B10C15 78.66 3.9 -8.5 -0.78 0
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6233 67573 3 ClFC2 ABC2 -136.73 0.0 -10.17 -1.42 0
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6234 67575 1 FCl2H5C7 AB2C5D7 -42.9 2.6 -10.18 -0.83 0
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6235 67578 1 ClOF3H4C8 ABC3D4E8 -171.16 2.71 -10.31 -1.56 0
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6236 67595 1 O2F3N3H4C8 A2B3C3D4E8 -108.24 2.52 -10.36 -2.08 0
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6237 67607 1 ClOF3H4C8 ABC3D4E8 -181.77 0.91 -10.96 -1.86 0
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6238 67610 1 FSO3H5C6 ABC3D5E6 -141.28 3.03 -9.74 -1.16 0
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6239 67618 1 FOPN2C14H16 ABCD2E14F16 -113.55 3.43 -9.54 -0.01 0
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6240 67622 1 ClFC8H8 ABC8D8 -45.33 0.33 -9.74 -0.25 0
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6241 67626 1 PN2O2S2C10H17 AB2C2D2E10F17 -160.74 5.35 -9.02 -0.81 0
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6242 67627 1 SN3C4H5 AB3C4D5 38.12 3.53 -9.12 -0.48 0
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6243 67628 1 FO2C7H13 AB2C7D13 -165.03 1.96 -10.81 0.73 0
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6244 67629 1 ClFC13H26 ABC13D26 -137.82 2.27 -10.75 1.96 0
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6245 67630 1 CNOF3 ABCD3 -129.63 1.12 -10.73 -2.26 0
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6246 67631 1 CSO2F4 ABC2D4 -277.24 1.16 -12.84 -1.63 0
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6247 67632 1 OC4F8 AB4C8 -431.23 0.97 -12.6 -1.4 0
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6248 67633 1 IC7F15 AB7C15 -723.38 1.31 -11.0 -2.71 0
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6249 67634 1 OC8F16 AB8C16 -820.15 0.67 -12.49 -1.33 0
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6250 67635 1 SO2C7F16 AB2C7D16 -858.67 1.21 -12.84 -1.66 0
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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