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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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64326 29199114 1 FO3N4C21H21 AB3C4D21E21 -71.89 3.39 -9.0 -0.88 0
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64327 29199120 2 N2O2C11H13 A2B2C11D13 -96.53 4.39 -8.55 -0.55 0
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64328 29199135 1 O2N5C21H21 A2B5C21D21 14.36 4.25 -8.69 -0.36 1
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64329 29199145 1 ClSO2N4C21H26 ABC2D4E21F26 11.47 6.59 0.0 0.0 0
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64330 29199146 1 ClSO2N4C21H25 ABC2D4E21F25 -13.45 5.93 -8.56 -0.91 0
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64331 29199165 1 SO3N4C23H30 AB3C4D23E30 -54.83 4.71 -8.3 -0.28 0
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64332 29199172 1 SF2O2N6H20C21 AB2C2D6E20F21 -68.83 8.85 -8.93 -0.85 0
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64333 29199175 1 SO2N4C22H28 AB2C4D22E28 -16.49 2.26 -8.44 -0.45 1
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64334 29199178 1 SO2N4C22H29 AB2C4D22E29 9.18 4.84 0.0 0.0 0
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64335 29199181 1 FN2O6C25H27 AB2C6D25E27 -204.36 6.83 -9.01 -1.19 0
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64336 29199184 1 SN5O5C24H29 AB5C5D24E29 -129.33 0.89 -9.11 -0.46 1
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64337 29199185 1 SO2N4C23H31 AB2C4D23E31 5.12 5.7 0.0 0.0 1
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64338 29199188 1 SO2N4C23H31 AB2C4D23E31 -1.77 8.15 0.0 0.0 0
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64339 29199189 1 SO2N4C23H30 AB2C4D23E30 -32.27 6.57 -7.9 -0.31 0
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64340 29199190 1 ClON3H18C19 ABC3D18E19 20.13 4.63 -8.71 -0.51 0
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64341 29199199 1 SO2N4C24H32 AB2C4D24E32 -34.96 8.77 -8.26 -0.31 1
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64342 29199201 1 SO3N4C23H31 AB3C4D23E31 -32.86 6.71 0.0 0.0 0
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64343 29199206 1 N2O4C15H18 A2B4C15D18 -90.48 3.67 -9.04 -0.97 0
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64344 29199209 1 ClON3C15H18 ABC3D15E18 -7.76 5.02 -8.71 -0.38 1
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64345 29199216 1 SO3N4C23H31 AB3C4D23E31 -33.84 5.41 0.0 0.0 0
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64346 29199217 1 SO3N4C23H30 AB3C4D23E30 -57.65 5.9 -8.28 -0.32 1
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64347 29199227 1 SO4N5C21H26 AB4C5D21E26 18.0 6.77 0.0 0.0 0
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64348 29199231 1 SO4N5C22H27 AB4C5D22E27 -23.46 7.81 -8.56 -1.46 0
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64349 29199236 1 SN3O4C17H21 AB3C4D17E21 -157.36 4.71 -9.14 -0.76 1
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64350 29199241 1 SO2N4C25H33 AB2C4D25E33 0.84 8.71 0.0 0.0 1
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64351 29199244 1 O2S2N4C21H29 A2B2C4D21E29 15.7 9.04 0.0 0.0 1
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64352 29199250 1 ClO2S2N4C19H24 AB2C2D4E19F24 26.98 4.57 0.0 0.0 0
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64353 29199253 1 SN3O3C20H23 AB3C3D20E23 -55.23 12.16 -9.12 -0.89 1
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64354 29199258 1 SF2O2N4C21H25 AB2C2D4E21F25 -77.74 2.5 0.0 0.0 0
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64355 29199264 1 SO3N4C24H32 AB3C4D24E32 -66.28 5.96 -8.12 -0.28 0
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64356 29199268 1 N2O3C22H26 A2B3C22D26 -77.04 2.32 -8.86 -0.59 0
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64357 29199273 1 SN4O4C23H30 AB4C4D23E30 -92.05 8.61 -8.52 -0.28 0
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64358 29199299 1 OCl2N3H17C19 AB2C3D17E19 30.61 3.14 -8.92 -0.47 1
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64359 29199305 1 SO2N4C21H33 AB2C4D21E33 -28.49 5.7 0.0 0.0 0
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64360 29199312 1 SO2N4C25H28 AB2C4D25E28 15.56 6.44 -8.41 -0.96 1
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64361 29199314 1 SO2N4C25H29 AB2C4D25E29 36.12 5.43 0.0 0.0 1
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64362 29199323 1 FSO2N4C22H28 ABC2D4E22F28 -40.91 5.55 0.0 0.0 0
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64363 29199328 1 ClFON3H15C18 ABCD3E15F18 0.38 3.86 -8.82 -0.91 0
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64364 29199336 1 FSO2N4C22H27 ABC2D4E22F27 -60.42 7.74 -8.58 -0.62 0
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64365 29199342 1 SO2N4C24H32 AB2C4D24E32 -28.71 5.37 -8.16 -0.37 0
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64366 29199346 1 SO2N4C24H32 AB2C4D24E32 -22.9 7.53 -8.54 -0.42 0
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64367 29199350 1 OF3N3C19H20 AB3C3D19E20 -155.56 6.45 -8.98 -0.5 1
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64368 29199351 1 SO3N4C24H33 AB3C4D24E33 -34.53 1.73 0.0 0.0 1
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64369 29199361 1 SO3N4C24H33 AB3C4D24E33 -34.94 4.28 0.0 0.0 1
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64370 29199364 1 SO3N4C24H33 AB3C4D24E33 -11.83 15.16 0.0 0.0 0
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64371 29199365 1 SO3N4C24H32 AB3C4D24E32 -63.25 7.72 -8.33 -0.33 0
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64372 29199366 1 SO2N3H19C21 AB2C3D19E21 15.03 7.75 -8.72 -0.59 0
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64373 29199372 1 OSN3C20H21 ABC3D20E21 38.62 2.96 -8.58 -0.46 1
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64374 29199378 1 SO3N5C25H34 AB3C5D25E34 -40.66 7.56 0.0 0.0 0
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64375 29199379 1 SO3N5C25H33 AB3C5D25E33 -69.62 6.25 -8.2 -0.55 0
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64376 29199388 1 ClSN2O4C16H17 ABC2D4E16F17 -78.44 6.99 -9.08 -1.2 0
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64377 29199391 1 SO3N5C24H31 AB3C5D24E31 -70.28 7.83 -8.48 -0.54 1
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64378 29199394 1 SO3N5C24H32 AB3C5D24E32 -46.99 8.47 0.0 0.0 0
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64379 29199396 1 BrSN2O4C16H17 ABC2D4E16F17 -71.97 7.12 -8.88 -1.33 0
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64380 29199402 1 SO3N5C25H33 AB3C5D25E33 -72.98 6.68 -8.43 -0.43 0
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64381 29199404 1 SO3N5C25H33 AB3C5D25E33 -70.74 5.98 -8.44 -0.57 0
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64382 29199424 1 O2N3H17C18 A2B3C17D18 29.16 4.54 -9.05 -0.76 1
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64383 29199426 1 ClSO2N4C22H28 ABC2D4E22F28 2.73 3.35 0.0 0.0 1
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64384 29199431 1 ClSO3N4C22H28 ABC3D4E22F28 -32.81 5.56 0.0 0.0 0
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64385 29199437 1 ClSO3N4C22H27 ABC3D4E22F27 -49.96 8.81 -8.57 -0.52 0
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64386 29199441 1 ClSO3N4C22H27 ABC3D4E22F27 -56.13 4.49 -8.42 -0.71 1
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64387 29199442 1 ClSO3N4C22H28 ABC3D4E22F28 -29.01 3.47 0.0 0.0 1
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64388 29199444 1 SO3N4C24H33 AB3C4D24E33 -37.79 6.31 0.0 0.0 0
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64389 29199446 1 FNOSH12C16 ABCDE12F16 -19.61 4.67 -8.96 -1.06 0
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64390 29199452 1 N3O3C17H19 A3B3C17D19 -9.68 12.91 -8.88 -0.73 1
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64391 29199453 1 SO3N4C25H35 AB3C4D25E35 -39.66 9.26 0.0 0.0 0
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64392 29199454 1 SO3N4C25H34 AB3C4D25E34 -64.67 5.14 -8.48 -0.29 0
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64393 29199455 1 ON3H17C18 AB3C17D18 50.8 4.35 -9.09 -0.76 0
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64394 29199479 1 SO3N4C24H32 AB3C4D24E32 -57.88 7.48 -8.26 -0.45 1
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64395 29199485 1 SO2N4C27H31 AB2C4D27E31 44.67 8.15 0.0 0.0 0
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64396 29199487 1 SN3O3C17H17 AB3C3D17E17 -28.04 7.73 -9.29 -1.11 0
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64397 29199504 1 ClN2S2O5C18H21 AB2C2D5E18F21 -176.21 2.48 -8.81 -1.04 1
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64398 29199505 1 SO2N4C23H31 AB2C4D23E31 2.96 5.68 0.0 0.0 0
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64399 29199506 1 SO2N4C23H30 AB2C4D23E30 -21.07 1.93 -8.22 -0.04 1
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64400 29199530 1 FSO2N4C22H28 ABC2D4E22F28 -24.89 10.11 0.0 0.0 0