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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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327201 126689203 1 F3O3N4H27C29 A3B3C4D27E29 -157.0 4.17 -9.35 -1.1 0
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327202 126689206 1 FSC2H3O3 ABC2D3E3 -160.32 2.03 -10.0 -0.78 0
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327203 126689207 1 FO3N5H24C31 AB3C5D24E31 24.91 6.83 -8.59 -1.02 0
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327204 126689212 1 FPO3C12H16 ABC3D12E16 -227.96 3.01 -9.57 -0.29 0
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327205 126689213 1 O3N6H22C31 A3B6C22D31 113.82 10.99 -8.79 -1.24 0
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327206 126689215 1 O2N5C24H29 A2B5C24D29 -13.17 2.52 -8.57 -0.89 0
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327207 126689219 1 ClN5C15H16 AB5C15D16 73.72 6.08 -8.82 -0.76 -1
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327208 126689223 1 FSO2C6H10 ABC2D6E10 -125.85 3.87 0.0 0.0 0
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327209 126689224 1 FSO2C6H11 ABC2D6E11 -145.48 2.59 -8.94 0.2 0
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327210 126689226 1 NaSO5H11C16F18 ABC5D11E16F18 -1159.81 20.87 -9.49 -1.19 0
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327211 126689227 1 SO5H12C16F18 AB5C12D16E18 -1128.63 1.59 -11.2 -0.87 0
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327212 126689230 2 ON3C18H23 AB3C18D23 -21.4 6.69 -8.54 -0.28 0
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327213 126689233 1 O3N5C30H41 A3B5C30D41 -88.42 2.94 -8.33 -0.21 0
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327214 126689235 1 NO2H15C16 AB2C15D16 -21.73 2.37 -8.41 -0.53 0
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327215 126689236 1 O2C9H16 A2B9C16 -17.02 3.43 -9.82 0.65 0
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327216 126689238 1 O2F3N4H21C25 A2B3C4D21E25 -122.5 7.46 -9.32 -1.0 0
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327217 126689246 1 N3O4C14H19 A3B4C14D19 -86.72 9.29 -8.86 -1.01 0
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327218 126689248 1 O2F3N4C25H25 A2B3C4D25E25 -162.77 3.24 -8.72 -1.14 0
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327219 126689251 1 F2O3N4C24H26 A2B3C4D24E26 -174.73 4.26 -9.1 -1.04 0
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327220 126689255 1 FN2O3C11H11 AB2C3D11E11 -71.65 7.31 -9.66 -1.53 0
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327221 126689258 1 F3N4O4C31H31 A3B4C4D31E31 -219.8 3.02 -9.05 -0.92 0
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327222 126689259 1 F3O3N4C25H27 A3B3C4D25E27 -224.53 2.69 -8.87 -0.88 0
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327223 126689261 1 F3N3O5H22C23 A3B3C5D22E23 -294.08 7.5 -9.36 -1.17 0
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327224 126689280 1 FN2O3H7C11 AB2C3D7E11 -47.0 8.03 -9.43 -1.45 0
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327225 126689282 1 O2F3N4H23C24 A2B3C4D23E24 -152.43 6.57 -8.88 -1.15 0
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327226 126689283 1 FN2O3C12H13 AB2C3D12E13 -82.18 2.53 -9.91 -1.63 0
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327227 126689284 1 FNO4C12H14 ABC4D12E14 -134.9 3.64 -10.12 -0.76 0
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327228 126689292 1 F2O3N4C25H28 A2B3C4D25E28 -174.24 6.3 -9.01 -1.04 0
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327229 126689293 1 F3O3N5H20C23 A3B3C5D20E23 -185.97 2.33 -8.77 -1.24 0
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327230 126689294 1 F3N4O4C25H27 A3B4C4D25E27 -274.91 2.34 -8.97 -0.99 0
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327231 126689297 1 SC2H2O3 AB2C2D3 -80.96 3.05 -9.69 -1.34 0
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327232 126689298 2 CSH2O3 ABC2D3 -235.85 1.6 -9.67 -0.78 0
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327233 126689300 1 F3O3N4C24H25 A3B3C4D24E25 -231.58 5.05 -9.12 -1.3 0
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327234 126689301 1 O2N3C16H25 A2B3C16D25 -85.56 3.57 -8.17 0.15 0
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327235 126689302 1 FO3N4C23H27 AB3C4D23E27 -103.55 5.53 -8.9 -0.36 0
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327236 126689310 1 F2O3N4C24H26 A2B3C4D24E26 -174.78 4.41 -9.11 -1.08 0
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327237 126689312 1 F3O3N4C23H23 A3B3C4D23E23 -219.83 4.18 -8.9 -1.32 0
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327238 126689315 1 F3O3N4C27H29 A3B3C4D27E29 -231.7 7.26 -9.02 -1.29 0
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327239 126689316 4 FNOC6H6 ABCD6E6 -307.18 8.4 -8.9 -1.06 0
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327240 126689318 1 F3N4O4C24H25 A3B4C4D24E25 -267.72 5.38 -8.82 -0.93 0
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327241 126689319 1 N3O3C15H19 A3B3C15D19 -25.0 3.99 -8.85 -1.04 0
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327242 126689320 1 FO2C5H9 AB2C5D9 -163.9 2.64 -11.31 0.54 0
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327243 126689321 1 F3O3N4C25H27 A3B3C4D25E27 -236.66 3.9 -8.86 -1.26 0
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327244 126689325 1 F3O3N4C25H27 A3B3C4D25E27 -235.44 7.5 -9.0 -1.39 0
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327245 126689326 1 F3N4O4C24H25 A3B4C4D24E25 -268.69 2.92 -8.98 -0.98 0
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327246 126689328 1 FNOC12H14 ABCD12E14 -80.67 3.69 -9.53 -0.21 0
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327247 126689329 1 F3O3N4C25H27 A3B3C4D25E27 -231.85 8.59 -8.99 -1.31 0
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327248 126689331 1 S2C3O6H8 A2B3C6D8 -270.9 2.41 -9.26 -0.33 1
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327249 126689333 1 NOH30C41 ABC30D41 137.47 3.5 0.0 0.0 0
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327250 126689335 1 O3F4N4C25H26 A3B4C4D25E26 -280.39 3.92 -8.87 -0.94 0
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327251 126689340 1 F3O3N4C23H23 A3B3C4D23E23 -221.87 5.75 -9.03 -1.38 0
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327252 126689341 1 F3O3N4C25H27 A3B3C4D25E27 -219.91 2.27 -9.01 -0.82 0
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327253 126689344 1 FSN4O7C22H25 ABC4D7E22F25 -182.81 2.24 -9.07 -1.21 0
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327254 126689345 1 FSN4O5C21H23 ABC4D5E21F23 -96.1 2.9 -9.07 -1.27 0
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327255 126689348 1 ClFSN4O5C22H24 ABCD4E5F22G24 -127.53 5.95 -9.41 -1.37 0
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327256 126689350 1 FNOC12H14 ABCD12E14 -82.59 3.88 -9.65 -0.23 0
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327257 126689353 1 F3N4O4C23H23 A3B4C4D23E23 -260.89 4.52 -8.92 -1.06 0
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327258 126689355 1 N3O4C15H21 A3B4C15D21 -97.36 4.16 -9.08 -1.15 0
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327259 126689357 1 F3O3N4C24H25 A3B3C4D24E25 -225.06 3.12 -8.96 -1.25 0
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327260 126689358 1 SN3O7C24H25 AB3C7D24E25 -161.43 3.52 -9.26 -1.12 0
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327261 126689359 1 SN3O7C24H25 AB3C7D24E25 -160.89 3.29 -9.34 -1.03 0
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327262 126689360 1 FSN3O5C20H20 ABC3D5E20F20 -166.77 5.1 -9.35 -1.04 0
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327263 126689361 1 FSN3O6C23H24 ABC3D6E23F24 -132.45 3.47 -9.44 -1.4 0
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327264 126689362 1 F2O3N4C23H24 A2B3C4D23E24 -162.53 2.74 -8.97 -1.02 0
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327265 126689364 1 FSN3O6C22H22 ABC3D6E22F22 -112.86 2.66 -9.39 -1.37 0
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327266 126689366 1 FSN3O6C22H22 ABC3D6E22F22 -112.86 2.84 -9.39 -1.38 0
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327267 126689371 1 SN3O6C23H25 AB3C6D23E25 -79.52 4.46 -9.45 -1.22 0
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327268 126689372 1 SN3O6C23H25 AB3C6D23E25 -79.84 4.62 -9.43 -1.21 0
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327269 126689373 1 FSN5O6C25H28 ABC5D6E25F28 -143.47 3.76 -9.38 -1.32 0
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327270 126689375 1 SN3O6C21H23 AB3C6D21E23 -170.94 3.28 -9.35 -0.9 0
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327271 126689377 1 FSN5O6C25H28 ABC5D6E25F28 -153.12 2.41 -9.37 -1.32 0
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327272 126689381 1 F3O3N4C27H29 A3B3C4D27E29 -211.08 1.8 -8.79 -1.21 0
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327273 126689383 1 ClFSN5O6C25H29 ABCD5E6F25G29 -205.3 8.24 -9.49 -1.43 0
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327274 126689386 1 SN4O7C27H34 AB4C7D27E34 -209.6 3.27 -8.77 -0.73 0
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327275 126689387 3 FNOC8H8 ABCD8E8 -227.41 2.68 -8.92 -1.27 0