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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218354 85089218 1 BrSi2O3C19H39 AB2C3D19E39 -258.61 2.75 -8.9 -0.34 0
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218355 85089220 1 NO2C30H45 AB2C30D45 -69.62 13.4 -7.46 -1.03 0
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218356 85089222 1 ClS3O4N5C14H18 AB3C4D5E14F18 -67.45 5.78 -9.21 -1.21 0
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218357 85089223 1 Br2N2O4C15H20 A2B2C4D15E20 -157.18 3.57 -7.91 -0.28 0
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218358 85089224 1 Cl2O2N3C23H31 A2B2C3D23E31 -42.26 12.34 -8.21 -0.61 0
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218359 85089226 1 O8H24C25 A8B24C25 -273.53 3.17 -8.77 -1.18 0
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218360 85089227 1 N4O6C23H24 A4B6C23D24 -186.82 4.13 -9.63 -0.99 0
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218361 85089228 1 N2O6C25H28 A2B6C25D28 -204.73 6.16 -8.62 -0.45 0
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218362 85089230 2 ON3H12C13 AB3C12D13 90.41 5.15 -9.32 -0.82 0
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218363 85089231 1 ON8C25H28 AB8C25D28 175.71 6.32 -8.7 -0.95 0
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218364 85089232 1 SN4O4C23H24 AB4C4D23E24 -61.47 6.07 -8.44 -1.26 0
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218365 85089234 1 N2O5C26H32 A2B5C26D32 -187.64 7.35 -9.7 -0.63 0
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218366 85089235 2 N4C13H16 A4B13C16 157.63 4.23 -8.66 -0.27 0
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218367 85089236 1 SN2O4C25H30 AB2C4D25E30 -136.48 7.0 -9.31 -0.2 0
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218368 85089237 1 N2S3O5C19H20 A2B3C5D19E20 -115.4 9.2 -9.37 -1.29 0
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218369 85089238 1 SO3N4C24H28 AB3C4D24E28 -41.76 3.21 -8.93 -1.35 0
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218370 85089240 1 O3C30H44 A3B30C44 -153.68 4.09 -8.5 -0.49 0
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218372 85089242 1 ClN4O6C20H27 AB4C6D20E27 -247.25 5.8 -9.47 -1.04 0
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218373 85089243 1 ClSO4N6C18H21 ABC4D6E18F21 -104.01 2.56 -9.26 -1.3 0
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218374 85089244 1 ClSSiN2O6C17H31 ABCD2E6F17G31 -350.82 5.16 -9.35 -1.29 0
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218375 85089245 1 PN5O8C17H22 AB5C8D17E22 -326.66 4.5 -9.15 -0.27 0
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218376 85089246 1 F2N3O4H21C24 A2B3C4D21E24 -107.18 3.9 -8.34 -1.19 0
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218377 85089247 1 NO9C22H31 AB9C22D31 -398.29 4.25 -9.79 -0.72 1
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218378 85089248 1 N5O5C23H28 A5B5C23D28 -153.27 5.17 0.0 0.0 0
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218379 85089249 1 S2N3O6C19H23 A2B3C6D19E23 -205.06 1.54 -9.45 -0.96 0
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218380 85089251 1 FS2N3O4C20H24 AB2C3D4E20F24 -177.4 5.12 -8.88 -0.9 0
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218381 85089252 1 NSO4C26H31 ABC4D26E31 -95.09 9.91 -9.64 -0.58 0
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218382 85089253 3 NOC9H13 ABC9D13 -155.53 5.0 -8.99 0.06 1
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218383 85089259 1 N2O9H19C22 A2B9C19D22 -269.19 3.77 0.0 0.0 0
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218384 85089260 1 N2O8H22C23 A2B8C22D23 -229.56 6.94 -9.87 -1.25 0
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218385 85089261 1 SN6O6C18H26 AB6C6D18E26 -213.48 5.79 -8.77 -0.58 0
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218386 85089262 1 O11C20H38 A11B20C38 -531.15 4.08 -10.39 0.35 0
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218387 85089263 1 SN4O4C23H26 AB4C4D23E26 -73.22 3.9 -8.67 -0.94 0
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218388 85089264 1 N2O5C26H34 A2B5C26D34 -200.25 6.38 -9.3 0.06 0
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218389 85089266 1 O4C29H42 A4B29C42 -196.99 8.65 -8.35 0.3 0
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218390 85089267 1 O4C29H42 A4B29C42 -213.65 10.35 -9.52 -0.09 0
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218391 85089268 1 PSiO2C27H39 ABC2D27E39 -151.16 5.34 -8.56 -0.08 0
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218392 85089273 1 FSCl2O2C23H25 ABC2D2E23F25 -116.9 4.12 -8.91 -0.42 0
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218393 85089274 1 O2N3F5C22H22 A2B3C5D22E22 -267.81 5.3 -9.71 -0.9 0
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218394 85089277 1 N3O6C24H29 A3B6C24D29 -242.85 6.4 -9.91 -1.5 0
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218395 85089280 1 N3O5C25H33 A3B5C25D33 -204.46 4.56 -9.12 -0.34 1
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218396 85089283 1 F2O4N6H17C21 A2B4C6D17E21 -116.3 4.77 0.0 0.0 0
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218397 85089286 1 O5H28C29 A5B28C29 -149.36 3.02 -9.5 -0.17 0
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218398 85089374 1 FNCl2O5C21H26 ABC2D5E21F26 -241.71 4.04 -9.04 -1.47 0
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218399 85089381 2 O3C14H15 A3B14C15 -190.2 1.06 -8.88 -0.02 0
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218400 85089383 1 O7C26H38 A7B26C38 -333.01 6.23 -9.11 0.15 0
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218401 85089386 1 N2O3C29H38 A2B3C29D38 -131.37 1.68 -8.82 -0.37 0
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218402 85089387 1 SiO4C27H46 AB4C27D46 -256.46 4.47 -8.94 0.09 0
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218403 85089390 2 ON2C13H13 AB2C13D13 13.24 3.19 -9.17 -1.12 0
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218404 85089393 2 ClN2O3C9H12 AB2C3D9E12 -180.85 2.36 -9.03 -1.61 0
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218405 85089395 1 F3O4N5C20H32 A3B4C5D20E32 -310.77 7.08 -9.61 -0.44 0
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218406 85089397 1 N3O5C26H29 A3B5C26D29 -136.97 6.95 -8.36 -0.24 0
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218407 85089400 1 N3O6C24H37 A3B6C24D37 -300.98 7.9 -9.67 0.08 0
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218408 85089401 1 O2N3H29C30 A2B3C29D30 25.76 6.47 -9.33 -0.9 0
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218409 85089402 1 ON5C29H35 AB5C29D35 25.1 5.59 -7.95 -0.92 0
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218410 85089403 1 NO2C32H33 AB2C32D33 4.85 2.29 -8.81 0.11 0
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218411 85089404 1 NSO3C28H33 ABC3D28E33 -53.61 4.6 -9.3 -0.22 0
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218412 85089405 1 NSiO4C27H33 ABC4D27E33 -151.21 1.4 -8.31 0.03 0
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218413 85089406 1 N2O2Cl3H21C23 A2B2C3D21E23 -36.69 3.97 -9.42 -1.25 0
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218414 85089407 1 BrClN2O2C22H24 ABC2D2E22F24 -38.21 4.4 -9.46 -0.52 0
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218415 85089408 1 BrNO6C21H22 ABC6D21E22 -207.99 3.98 -9.9 -0.98 0
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218416 85089410 1 O3N10C21H24 A3B10C21D24 7.98 2.37 -8.37 -0.51 0
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218417 85089411 1 N4O7C22H32 A4B7C22D32 -291.83 3.42 -9.39 -0.69 0
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218418 85089412 2 O3C14H16 A3B14C16 -184.55 3.16 -9.39 -0.05 0
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218419 85089416 1 O3N6C25H32 A3B6C25D32 -51.54 4.51 -9.06 -0.31 0
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218420 85089417 1 N8C27H32 A8B27C32 167.47 8.19 -8.56 -0.43 0
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218421 85089418 1 O2F3C28H39 A2B3C28D39 -272.05 4.05 -8.17 0.18 0
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218422 85089419 1 ON2C32H36 AB2C32D36 81.18 2.06 -7.76 -0.12 0
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218423 85089420 1 SiO5C26H44 AB5C26D44 -252.71 3.7 -8.72 -0.56 0
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218424 85089421 1 SiO5C26H44 AB5C26D44 -333.51 3.97 -8.97 0.23 0
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218425 85089423 1 SO3C28H48 AB3C28D48 -213.9 3.71 -9.36 0.14 0
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218426 85089425 1 ClO7C24H29 AB7C24D29 -205.8 10.41 -8.85 -1.46 1
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218427 85089426 1 F3N3O5C22H23 A3B3C5D22E23 -319.29 4.17 0.0 0.0 0
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218428 85089427 1 SN3O8C20H23 AB3C8D20E23 -308.58 4.86 -9.54 -0.97 0
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218429 85089428 1 N3O4H23C28 A3B4C23D28 -50.6 12.16 -9.24 -1.83 0