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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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437332 135224904 1 O3N4C34H44 A3B4C34D44 -89.77 0.42 -8.37 -0.32 0
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437333 135224906 1 NSC15H19 ABC15D19 75.74 2.04 -7.01 0.37 0
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437334 135224932 1 IN2C10H19 AB2C10D19 -4.76 3.05 -8.66 -1.34 0
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437335 135225036 1 NO10C28H31 AB10C28D31 -379.08 3.53 -9.0 -1.81 0
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437336 135225189 2 O2C7H12 A2B7C12 -188.83 1.88 -9.78 0.01 0
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437337 135225190 2 O2C11H15 A2B11C15 -166.12 2.97 -8.75 -0.17 0
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437338 135225191 1 O4C13H22 A4B13C22 -185.4 3.92 -10.05 -0.09 0
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437339 135225279 2 PS2O6C27H37 AB2C6D27E37 -556.76 3.04 -8.69 -0.78 0
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437340 135225593 1 FNC19H34 ABC19D34 -80.01 3.31 -8.75 1.11 0
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437341 135225653 1 SN2O6C29H40 AB2C6D29E40 -229.73 7.42 -8.44 -0.42 0
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437342 135225786 2 NO4H15C17 AB4C15D17 -247.91 3.01 -8.25 -0.34 0
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437343 135225801 1 SN3O5C28H31 AB3C5D28E31 -139.8 7.02 -9.14 -1.15 0
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437344 135225802 1 SN3O4C25H25 AB3C4D25E25 -95.74 4.69 -9.4 -0.9 0
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437345 135226041 1 O2N7C27H29 A2B7C27D29 138.29 3.83 -8.26 -0.39 1
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437346 135226155 1 N2O4C29H37 A2B4C29D37 -161.81 6.7 0.0 0.0 1
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437347 135226156 1 N2O4C22H23 A2B4C22D23 -114.41 9.69 0.0 0.0 1
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437348 135226157 1 N2O4C24H27 A2B4C24D27 -126.46 5.44 0.0 0.0 1
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437349 135226158 1 N2O4C25H29 A2B4C25D29 -133.36 9.11 0.0 0.0 1
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437350 135226159 1 N2O4C22H23 A2B4C22D23 -114.44 8.64 0.0 0.0 1
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437351 135226160 1 N2O4C24H27 A2B4C24D27 -123.66 8.69 0.0 0.0 1
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437352 135226161 1 N2O2C25H29 A2B2C25D29 -48.2 4.7 0.0 0.0 0
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437353 135226162 1 SC20H36 AB20C36 -13.5 3.05 -8.47 -0.6 0
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437354 135226163 1 O2N3C16H29 A2B3C16D29 -98.8 2.6 -8.37 0.58 0
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437355 135226164 1 ClF3O5N7H31C40 AB3C5D7E31F40 -172.66 6.0 -8.73 -1.18 0
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437356 135226165 1 BrN3O3C14H16 AB3C3D14E16 -91.92 6.4 -9.24 -0.71 0
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437357 135226166 2 O2C9H15 A2B9C15 -198.95 6.57 -9.72 0.73 0
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437358 135226167 1 F2O3C18H28 A2B3C18D28 -261.25 1.07 -9.81 0.33 0
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437359 135226168 1 N2O2C31H54 A2B2C31D54 -134.66 2.8 -8.32 0.56 0
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437360 135226169 1 O3C23H34 A3B23C34 -83.57 3.17 -9.17 -0.4 0
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437361 135226170 1 BrN2O2C13H19 AB2C2D13E19 -80.08 2.57 -9.36 -0.56 0
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437362 135226171 1 ClN3O3C17H20 AB3C3D17E20 -63.96 5.62 -8.69 -1.17 0
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437363 135226172 1 ClFO3N4H30C32 ABC3D4E30F32 -92.52 5.56 -8.96 -0.77 0
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437364 135226173 1 ON2C10H12 AB2C10D12 47.92 2.84 -9.46 -1.12 0
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437365 135226174 1 ClF2O3N5C38H50 AB2C3D5E38F50 -138.69 7.76 -8.42 -0.73 0
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437366 135226175 1 ClFSO4N6H20C23 ABCD4E6F20G23 -56.31 4.54 -9.26 -0.78 0
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437367 135226176 1 ClFO3N6H24C30 ABC3D6E24F30 -13.96 6.42 -8.94 -0.6 0
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437368 135226177 1 ClFIO3N5H24C30 ABCD3E5F24G30 -36.7 3.28 -8.72 -1.75 0
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437369 135226178 2 O2C11H18 A2B11C18 -183.69 2.91 -9.11 -0.39 0
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437370 135226179 2 OC11H19 AB11C19 -106.23 4.62 -9.16 -0.03 0
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437371 135226180 1 SF2O3N7H21C27 AB2C3D7E21F27 -66.16 4.34 -9.09 -1.26 0
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437372 135226181 1 ClSO3N4F7H22C28 ABC3D4E7F22G28 -378.37 14.27 -9.19 -1.0 0
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437373 135226182 1 SN2F3H3C6 AB2C3D3E6 -92.76 2.39 -9.13 -1.25 0
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437374 135226183 1 ClSO4F5N5H21C28 ABC4D5E5F21G28 -316.66 10.11 -8.86 -1.06 0
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437375 135226184 1 F2O3N5H27C30 A2B3C5D27E30 -103.51 3.7 -8.66 -0.44 0
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437376 135226185 1 ClFO3N7H25C30 ABC3D7E25F30 -14.42 2.95 -8.98 -1.12 0
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437377 135226186 1 O5C9H10 A5B9C10 -186.75 4.67 -10.75 -1.36 0
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437378 135226187 1 ClNF2O3H16C20 ABC2D3E16F20 -169.2 4.09 -9.21 -0.8 0
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437379 135226188 1 FO4C9H11 AB4C9D11 -208.35 0.91 -10.78 -0.73 0
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437380 135226189 1 O5C9H12 A5B9C12 -204.53 3.87 -10.82 -0.74 0
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437381 135226190 1 ClF2O3N7H30C32 AB2C3D7E30F32 -100.47 7.53 -9.1 -0.85 0
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437382 135226191 1 F2N2O3C23H24 A2B2C3D23E24 -133.01 3.76 -9.21 -0.39 0
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437383 135226192 1 ClF2O3N4H21C28 AB2C3D4E21F28 -94.88 5.73 -9.16 -1.34 0
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437384 135226193 1 NF2O2H21C22 AB2C2D21E22 -131.24 3.79 -9.33 -0.44 0
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437385 135226194 1 N2S3O7H30C49 A2B3C7D30E49 -41.04 8.82 -9.0 -2.03 0
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437386 135226195 1 NC14H29 AB14C29 -50.83 2.12 -8.73 3.3 0
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437387 135226196 1 O3C10H18 A3B10C18 -160.42 0.85 -9.71 1.54 0
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437388 135226197 1 SO2N7C24H31 AB2C7D24E31 -30.89 6.16 -8.23 -0.22 0
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437389 135226198 1 SN3O3C11H13 AB3C3D11E13 -56.02 7.03 -8.88 -0.42 0
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437390 135226199 1 NO5C27H27 AB5C27D27 -144.03 2.24 -8.84 -0.39 0
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437391 135226200 1 O5C14H18 A5B14C18 -187.1 2.02 -9.75 -0.12 0
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437392 135226201 1 O5C13H16 A5B13C16 -189.05 4.4 -9.93 -0.23 0
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437393 135226202 1 F2O3H14C15 A2B3C14D15 -169.02 6.01 -9.21 -1.01 0
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437394 135226203 1 F2O4C17H22 A2B4C17D22 -254.71 3.98 -9.82 -1.04 0
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437395 135226204 2 FO2C7H8 AB2C7D8 -248.8 6.06 -9.89 -0.49 0
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437396 135226205 1 F2O3N5C29H33 A2B3C5D29E33 -104.51 9.16 -8.72 -0.49 0
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437397 135226206 2 FNOC6H8 ABCD6E8 -119.88 6.8 -9.0 -0.2 0
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437398 135226207 1 NO6C13H25 AB6C13D25 -268.45 5.44 -9.89 -0.47 0
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437399 135226208 1 NF2O2C13H17 AB2C2D13E17 -133.28 4.27 -9.18 -0.33 0
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437400 135226209 2 FO2N3C15H17 AB2C3D15E17 -141.42 12.28 -8.99 -0.63 0
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437401 135226210 1 F2O3N6C28H32 A2B3C6D28E32 -86.94 8.55 -9.09 -0.69 0
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437402 135226211 1 SN3O7C21H29 AB3C7D21E29 -270.72 9.59 -8.77 -0.39 0
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437403 135226212 1 F2N3O5C17H23 A2B3C5D17E23 -204.71 2.02 -9.09 -0.85 0
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437404 135226213 1 F2O2N8C27H30 A2B2C8D27E30 -23.45 6.28 -8.54 -0.52 0
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437405 135226214 1 FNO3C13H16 ABC3D13E16 -135.95 4.51 -9.97 -0.62 0
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437406 135226215 1 SO5C12H18 AB5C12D18 -203.69 6.95 -9.66 -0.8 0
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437407 135226268 1 F2O3N7H27C29 A2B3C7D27E29 -30.63 14.98 -9.28 -1.06 0
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437408 135226269 1 F2O5N6C30H32 A2B5C6D30E32 -164.55 9.33 -8.9 -0.74 0
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437409 135226270 1 FO3N9C28H32 AB3C9D28E32 4.72 7.59 -8.47 -0.73 0
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437410 135226271 1 F2O3N8H28C30 A2B3C8D28E30 -10.07 9.36 -9.33 -1.27 0
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437411 135226272 1 F2O3N9C28H31 A2B3C9D28E31 -37.44 7.92 -8.51 -0.77 0
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437412 135226273 1 FO5N7C31H34 AB5C7D31E34 -118.56 9.93 -8.86 -0.88 0
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437413 135226274 1 FO3N7C28H30 AB3C7D28E30 -15.69 7.64 -9.12 -0.83 0
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437414 135226275 1 FO3N8C30H31 AB3C8D30E31 12.04 5.38 -8.83 -0.71 0
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437415 135226276 1 F2O3N9C27H29 A2B3C9D27E29 -37.79 8.61 -8.67 -0.74 0
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437416 135226277 1 FO3N7C27H30 AB3C7D27E30 -13.06 5.1 -8.72 -0.51 0
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437417 135226278 1 FO5N7C31H34 AB5C7D31E34 -118.27 9.36 -8.83 -0.84 0
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437418 135226279 1 FO3N9C29H30 AB3C9D29E30 35.63 10.47 -8.98 -0.78 0
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437419 135226281 1 F2O3N10H28C29 A2B3C10D28E29 24.87 6.24 -9.3 -0.96 0
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437420 135226282 1 F2O3N7H29C31 A2B3C7D29E31 -31.45 7.53 -9.19 -0.98 0
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437421 135226283 1 FO3N9C29H30 AB3C9D29E30 30.34 12.53 -8.89 -0.97 0
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437422 135226284 1 FO3N9C29H30 AB3C9D29E30 28.59 11.12 -9.19 -0.96 0
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437423 135226285 1 FO3N9C29H30 AB3C9D29E30 30.52 14.18 -8.98 -0.99 0
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437424 135226286 1 FO3N9C29H30 AB3C9D29E30 23.82 13.67 -8.98 -0.85 0
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437425 135226288 1 FSO6N8C29H33 ABC6D8E29F33 -135.49 14.64 -9.45 -1.07 0
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437426 135226289 1 SF2O6N7C30H33 AB2C6D7E30F33 -191.81 13.89 -9.38 -1.06 0
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437427 135226290 1 SF2O4N6C31H34 AB2C4D6E31F34 -144.48 4.38 -8.06 -0.47 0
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437428 135226291 1 FO3N8H29C30 AB3C8D29E30 24.85 8.66 -9.22 -0.99 0
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437429 135226292 1 F2O5N6C30H30 A2B5C6D30E30 -140.14 10.52 -9.37 -0.95 0
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437430 135226293 1 F2O5N6H28C29 A2B5C6D28E29 -148.91 12.79 -9.36 -1.04 0
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437431 135226294 1 FO5N7C29H30 AB5C7D29E30 -83.82 11.14 -9.48 -0.98 0