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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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430278 135170342 1 FSO2N5C18H20 ABC2D5E18F20 -17.3 7.24 -8.19 -0.64 0
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430279 135170343 1 N3C20H27 A3B20C27 8.87 3.71 -8.24 -0.15 0
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430280 135170344 1 N3C23H33 A3B23C33 -2.56 2.28 -8.06 -0.14 0
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430281 135170345 2 NC11H17 AB11C17 7.66 2.46 -8.46 0.31 0
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430282 135170346 2 NC12H18 AB12C18 -16.62 1.82 -8.61 -0.34 0
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430283 135170347 1 N3C18H23 A3B18C23 28.2 3.75 -8.22 -0.24 0
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430284 135170348 1 O2N3C22H31 A2B3C22D31 -62.64 1.6 -7.97 -0.22 0
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430285 135170349 4 NC6H9 AB6C9 -10.5 3.46 -7.83 0.19 0
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430286 135170350 2 N2C13H19 A2B13C19 26.37 3.99 -8.2 -0.18 0
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430287 135170351 1 SO3N4H26C31 AB3C4D26E31 118.38 6.48 -8.43 -1.41 0
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430288 135170352 2 NC9H11 AB9C11 30.08 2.5 -8.17 -0.16 0
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430289 135170353 2 OH3C6 AB3C6 39.37 1.62 -10.02 -1.41 0
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430290 135170354 2 NC12H18 AB12C18 4.98 1.22 -8.59 0.18 0
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430291 135170355 1 N4C29H44 A4B29C44 -11.29 2.95 -8.31 -0.25 0
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430292 135170356 1 O2N3C18H25 A2B3C18D25 -27.14 2.28 -7.94 -0.15 0
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430293 135170357 1 ON3C16H19 AB3C16D19 16.98 1.44 -8.34 -0.19 0
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430294 135170358 1 SO3N4H24C30 AB3C4D24E30 102.79 5.12 -8.52 -1.48 0
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430295 135170359 1 N2C21H30 A2B21C30 22.22 1.52 -8.59 0.14 0
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430296 135170360 1 NOC19H25 ABC19D25 -38.22 1.56 -7.7 0.36 0
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430297 135170361 1 ON3C24H29 AB3C24D29 55.06 4.81 -8.05 -0.33 0
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430298 135170362 1 ON3C21H29 AB3C21D29 -5.82 1.32 -7.98 -0.01 0
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430299 135170363 1 O2N3C21H29 A2B3C21D29 -32.82 1.41 -7.79 -0.12 0
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430300 135170364 1 N3C26H39 A3B26C39 -17.36 1.32 -8.05 -0.08 0
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430301 135170365 1 FNSH20C24 ABCD20E24 46.85 1.82 -8.01 -0.17 0
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430302 135170366 1 N4C23H34 A4B23C34 6.0 2.93 -7.77 -0.23 0
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430303 135170367 1 ON3C24H33 AB3C24D33 -7.36 3.49 -7.86 -0.17 0
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430304 135170368 2 OC5H9 AB5C9 -107.95 2.36 -9.19 0.14 0
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430305 135170369 1 NSO4H19C24 ABC4D19E24 -57.35 3.99 -8.62 -1.39 0
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430306 135170370 1 O3H10C18 A3B10C18 16.95 2.09 -9.26 -1.48 0
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430307 135170371 1 N3C25H37 A3B25C37 -13.33 2.89 -7.94 -0.04 0
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430308 135170372 1 SF3O3N5C20H20 AB3C3D5E20F20 -117.72 2.35 -9.58 -1.48 0
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430309 135170373 1 F2N2C9H12 A2B2C9D12 -42.78 2.63 -8.94 -0.88 0
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430310 135170374 1 NSO3H19C23 ABC3D19E23 -27.29 8.56 -8.26 -0.71 0
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430311 135170375 1 PN2O6C21H41 AB2C6D21E41 -350.96 4.44 -9.62 0.45 0
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430312 135170376 1 ClFSO3N5C20H21 ABCD3E5F20G21 18.91 5.46 -9.39 -1.31 0
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430313 135170377 1 SN2O3H24C27 AB2C3D24E27 -49.76 8.1 -8.45 -1.29 0
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430314 135170378 1 SO3N4H26C31 AB3C4D26E31 153.33 9.81 -8.24 -1.2 0
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430315 135170379 1 OSN2C34H34 ABC2D34E34 71.3 3.89 -8.02 -1.1 0
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430316 135170380 2 NO2C10H21 AB2C10D21 -243.43 7.87 -9.49 1.1 0
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430317 135170381 2 NO2C10H21 AB2C10D21 -238.96 3.67 -9.32 0.66 0
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430319 135170383 1 ClFNO2C14H17 ABCD2E14F17 -133.91 5.5 -9.24 -0.42 0
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430320 135170384 1 FON2C16H19 ABC2D16E19 -48.36 3.52 -9.44 0.09 0
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430321 135170385 1 SN3O3C22H27 AB3C3D22E27 -81.74 1.91 -9.01 -1.03 0
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430322 135170386 1 SN3O3C22H27 AB3C3D22E27 -85.69 1.88 -8.95 -0.81 0
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430323 135170387 1 O4C23H28 A4B23C28 -141.54 5.55 -9.52 -0.46 0
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430324 135170388 1 SN2O2H16C24 AB2C2D16E24 71.33 4.14 -8.37 -1.35 0
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430325 135170389 1 N2C13H26 A2B13C26 -8.88 1.9 -8.68 2.87 0
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430326 135170390 1 ClFSO3N5C15H15 ABCD3E5F15G15 -82.29 6.73 -9.25 -1.2 0
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430327 135170391 1 OF5N8H19C20 AB5C8D19E20 -171.28 9.96 -9.24 -1.58 0
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430328 135170392 1 Cl2O2N4C19H24 A2B2C4D19E24 -25.76 3.54 -8.82 -0.9 0
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430329 135170393 1 SF2N2O4C25H32 AB2C2D4E25F32 -251.5 5.26 -9.57 -0.18 0
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430330 135170394 1 BrFNOC8H9 ABCDE8F9 -41.04 2.48 -8.44 -0.8 0
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430331 135170395 1 SN2C15H22 AB2C15D22 32.78 1.29 -8.41 -0.03 0
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430332 135170396 2 OC17H21 AB17C21 -38.08 0.55 -8.97 0.05 0
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430333 135170397 1 NOH19C25 ABC19D25 76.41 3.02 -8.07 -0.74 0
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430334 135170398 2 O2C11H15 A2B11C15 -164.03 2.48 -8.67 -0.28 0
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430335 135170399 2 NH39C41 AB39C41 223.45 2.55 -7.55 -0.42 0
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430336 135170400 1 NBr2H19C26 AB2C19D26 125.88 3.05 -8.28 -0.54 0
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430337 135170401 1 O4H18C19 A4B18C19 -89.14 3.76 -8.86 -0.29 0
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430338 135170402 1 F2O3N5H19C26 A2B3C5D19E26 -52.03 7.23 -9.41 -1.23 0
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430339 135170403 1 N3O10C32H51 A3B10C32D51 -480.48 4.9 -9.46 -0.02 0
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430340 135170404 1 N10O17C34H46 A10B17C34D46 -688.1 17.18 -9.73 -1.17 0
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430341 135170405 1 N6O10C17H22 A6B10C17D22 -367.89 8.51 -10.48 -0.84 0
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430342 135170406 1 FN10O17C49H57 AB10C17D49E57 -695.25 6.73 -9.15 -1.34 0
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430344 135170408 4 OC5H5 AB5C5 -99.36 2.01 -8.56 -0.07 0
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430345 135170409 1 N13O25C60H75 A13B25C60D75 -998.18 11.65 -9.02 -0.77 0
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430346 135170410 1 BrO4H17C18 AB4C17D18 -102.72 1.95 -9.24 -0.49 0
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430347 135170411 1 O3C22H24 A3B22C24 -46.94 2.19 -8.51 0.04 0
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430348 135170412 1 SN2F6O6H22C23 AB2C6D6E22F23 -529.86 4.21 -9.52 -1.15 0
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430349 135170413 1 O5C23H24 A5B23C24 -101.64 4.56 -8.46 -0.46 0
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430350 135170414 1 SN3F6O6C23H23 AB3C6D6E23F23 -519.13 9.82 -9.58 -1.15 0
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430351 135170415 1 SN2F6O6H22C24 AB2C6D6E22F24 -489.37 9.81 -9.62 -1.16 0
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430352 135170416 1 N2O4C17H30 A2B4C17D30 -197.79 4.21 -10.15 0.15 0
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430354 135170418 1 SN3F6O6C23H23 AB3C6D6E23F23 -517.14 3.82 -9.64 -1.18 0
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430355 135170419 1 N2H78C81 A2B78C81 229.81 1.13 -7.92 -0.48 0
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430356 135170420 2 OC9H15 AB9C15 -117.3 0.81 -8.89 0.15 0
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430357 135170421 2 F5C10H12 A5B10C12 -561.61 2.73 -8.91 0.33 0
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430358 135170422 1 N3C7H13 A3B7C13 27.69 1.29 -8.62 0.63 0
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430359 135170423 1 N2O2C23H24 A2B2C23D24 -5.39 7.21 -8.49 -1.37 0
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430360 135170424 2 NO2C14H16 AB2C14D16 -116.75 4.08 -8.59 -1.49 0
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430361 135170425 1 O2N6C47H60 A2B6C47D60 -5.66 6.92 -7.73 -1.2 0
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430362 135170426 1 O3N4C32H42 A3B4C32D42 -76.9 2.58 -8.47 -1.38 0
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430363 135170427 1 N2O2C15H20 A2B2C15D20 -46.12 6.05 -9.33 -0.63 0
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430364 135170428 1 NSO3C14H17 ABC3D14E17 -99.3 3.16 -9.24 -0.51 0
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430365 135170429 1 N2O7C25H30 A2B7C25D30 -218.24 7.85 -8.39 -0.13 0
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430366 135170430 1 NO6C25H35 AB6C25D35 -248.51 5.16 -8.59 -0.6 0
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430367 135170431 1 NO10C38H53 AB10C38D53 -330.12 3.36 -8.16 -0.75 0
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430368 135170432 1 FNO8C37H44 ABC8D37E44 -323.53 4.65 -8.69 -0.7 1
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430369 135170433 1 O3N6C65H71 A3B6C65D71 19.88 3.31 0.0 0.0 0
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430370 135170434 1 BrClFON3C11H16 ABCDE3F11G16 -86.12 4.48 -9.0 -0.26 0
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430371 135170435 2 ON2C16H19 AB2C16D19 36.54 3.12 -8.31 -1.18 0
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430372 135170436 1 NOC9H13 ABC9D13 -23.08 2.12 -9.04 0.47 0
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430373 135170437 2 ON3C20H22 AB3C20D22 48.38 3.75 -8.38 -1.2 0
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430374 135170438 1 ON2C19H28 AB2C19D28 -30.11 4.73 -8.83 0.37 0
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430375 135170439 1 BrPC8H8 ABC8D8 91.94 9.0 -7.98 0.27 0
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430376 135170440 1 O3N4C36H42 A3B4C36D42 -47.39 4.79 -8.2 -1.05 0
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430377 135170441 1 N2F3C8H11 A2B3C8D11 -143.08 2.89 -9.32 0.42 0
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430378 135170442 1 N2C9H14 A2B9C14 14.11 3.09 -8.88 1.14 0
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430379 135170443 1 N2O2C13H14 A2B2C13D14 -23.47 3.6 -8.77 -0.36 0
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430380 135170444 1 N2O3C12H12 A2B3C12D12 -49.51 2.86 -8.87 -0.74 0