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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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49385 11532954 1 SN4O4C24H32 AB4C4D24E32 -110.42 9.81 -9.35 -0.68 0
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49386 11532955 1 N2S3O4H20C22 A2B3C4D20E22 -96.04 2.29 -8.32 -0.75 0
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49387 11532956 1 ON6C28H36 AB6C28D36 -1.39 5.97 -8.88 -0.66 0
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49388 11532957 2 NO2C14H22 AB2C14D22 -206.16 3.39 -8.62 0.32 0
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49389 11532958 1 N2O2C31H40 A2B2C31D40 -54.89 3.39 -8.32 -0.27 0
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49390 11532959 2 O2C15H24 A2B15C24 -252.46 5.44 -9.58 0.85 0
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49391 11532960 1 ClO2F3N4H16C23 AB2C3D4E16F23 -168.16 5.6 -8.72 -1.08 0
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49392 11532961 1 ClFN2O4C25H26 ABC2D4E25F26 -160.0 9.4 -8.61 -0.69 0
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49393 11532962 1 ClN4O4C24H29 AB4C4D24E29 -85.69 7.77 -8.72 -0.63 0
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49394 11532964 1 SF2O2N7C21H21 AB2C2D7E21F21 -73.91 3.69 -8.69 -1.4 0
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49395 11532965 1 NSF2O6C22H29 ABC2D6E22F29 -347.58 2.2 -8.67 -0.22 0
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49396 11532966 1 O3N7C25H27 A3B7C25D27 -16.31 6.9 -8.41 -0.47 0
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49397 11532967 1 FN3O5C25H32 AB3C5D25E32 -227.01 4.09 -9.41 -1.65 0
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49398 11532969 1 SO3N5H23C25 AB3C5D23E25 5.58 6.25 -8.14 -1.59 0
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49399 11532970 1 N3O4C28H31 A3B4C28D31 -97.45 2.31 -8.88 -0.98 0
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49400 11532971 1 N3O4C28H31 A3B4C28D31 -101.63 6.04 -9.64 -0.99 0
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49401 11532974 1 N3O5C26H39 A3B5C26D39 -217.41 3.2 -9.06 -0.57 0
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49402 11532976 1 NSO5C26H35 ABC5D26E35 -224.86 2.68 -9.93 -1.13 0
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49403 11532977 1 FO2S2N3C24H28 AB2C2D3E24F28 -69.09 9.34 -8.29 -1.04 0
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49404 11532980 1 NSi2O4C24H51 AB2C4D24E51 -349.87 2.35 -8.75 0.7 0
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49405 11532981 1 ClN3O4H20C26 AB3C4D20E26 -61.59 3.0 -9.53 -1.22 0
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49406 11532982 1 ClFO3N5C23H25 ABC3D5E23F25 -95.7 5.11 -8.71 -0.94 0
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49407 11532983 1 ClNSO4C25H28 ABCD4E25F28 -133.92 2.16 -8.66 -0.63 0
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49408 11532984 1 SF2N2O5H20C23 AB2C2D5E20F23 -224.4 5.32 -9.83 -1.31 0
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49409 11532985 1 O4N6C25H26 A4B6C25D26 -30.95 6.66 -8.91 -0.98 0
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49410 11532986 1 SN4O4H22C25 AB4C4D22E25 -27.84 3.1 -8.51 -1.1 0
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49411 11532988 1 SiO7C25H34 AB7C25D34 -319.84 2.12 -8.9 0.04 0
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49412 11532989 1 OSN6C26H30 ABC6D26E30 34.35 3.11 -8.32 -0.8 0
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49413 11532990 1 SN2O4C26H38 AB2C4D26E38 -178.59 7.63 -8.83 -0.84 0
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49414 11532991 2 O2C15H25 A2B15C25 -236.29 2.93 -8.68 0.53 0
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49415 11532993 1 SiO3C29H50 AB3C29D50 -206.84 3.7 -8.72 0.16 0
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49416 11532994 1 ClFO2N4H20C26 ABC2D4E20F26 44.95 3.67 -8.95 -1.3 0
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49417 11532996 1 ClN2O3H27C28 AB2C3D27E28 -7.29 7.12 -8.91 -1.01 0
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49418 11532997 1 ClN4O4C24H31 AB4C4D24E31 -119.77 4.45 -8.37 -0.64 0
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49419 11532998 1 ClOSN4H23C26 ABCD4E23F26 94.35 3.98 -8.56 -0.73 0
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49420 11532999 1 ClN2O2C29H31 AB2C2D29E31 7.62 6.21 -8.49 -0.89 0
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49421 11533001 1 ClS2O3N4C20H31 AB2C3D4E20F31 -128.84 2.86 -8.38 -1.14 0
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49422 11533002 1 S2O3N4C20H30 A2B3C4D20E30 -95.75 2.42 -8.39 -1.02 0
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49423 11533003 1 BrON6H19C23 ABC6D19E23 73.98 1.57 -8.8 -0.76 0
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49424 11533005 1 BrSN2O3C22H23 ABC2D3E22F23 -59.54 5.23 -7.93 -0.84 0
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49425 11533006 1 O2F3N3H20C27 A2B3C3D20E27 -102.15 8.95 -8.84 -1.35 0
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49426 11533007 1 NO8C25H33 AB8C25D33 -339.12 4.63 -8.55 -1.08 0
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49427 11533008 1 FN3O5C25H34 AB3C5D25E34 -250.78 4.89 -8.23 -0.25 0
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49428 11533009 1 FN3O5C25H34 AB3C5D25E34 -228.91 2.23 -8.07 -0.22 0
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49429 11533010 1 FN3O3C28H30 AB3C3D28E30 -82.05 6.09 -8.77 -1.39 0
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49430 11533011 1 NSO5H25C27 ABC5D25E27 -80.11 5.43 -8.5 -0.7 0
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49431 11533013 1 N3O4C28H33 A3B4C28D33 -99.78 6.96 -8.43 -0.64 0
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49432 11533015 1 FS2N3O3C23H26 AB2C3D3E23F26 -89.64 5.47 -8.1 -1.22 0
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49433 11533017 1 O2N5C28H37 A2B5C28D37 -41.75 4.37 -8.86 -0.06 0
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49434 11533018 1 FO2N3C28H46 AB2C3D28E46 -165.89 4.45 -9.03 0.14 0
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49435 11533019 1 N3O3C28H49 A3B3C28D49 -178.49 4.98 -8.78 -0.11 0
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49436 11533021 1 ClN3O4H22C26 AB3C4D22E26 -78.4 9.11 -9.47 -1.05 0
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49437 11533024 1 ClNO3C29H30 ABC3D29E30 -83.46 5.8 -9.6 -1.52 0
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49438 11533025 1 ClON5C27H30 ABC5D27E30 34.88 3.14 -9.1 -1.11 0
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49439 11533026 1 N2O3Cl4H18C20 A2B3C4D18E20 -96.38 6.23 -8.66 -1.87 0
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49440 11533027 1 N2O3Cl4H18C20 A2B3C4D18E20 -103.98 8.25 -8.86 -1.2 0
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49441 11533028 1 Cl2N2O3H16C20 A2B2C3D16E20 -24.8 2.42 -8.88 -1.94 0
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49442 11533029 1 Cl2O2N5C23H27 A2B2C5D23E27 -2.2 2.77 -8.46 -0.83 0
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49443 11533030 1 N6O6H20C23 A6B6C20D23 -11.97 11.54 -9.63 -1.52 0
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49444 11533031 1 BrNO3C25H34 ABC3D25E34 -99.45 15.44 -7.46 -0.33 1
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49445 11533032 1 NO3C25H34 AB3C25D34 -56.98 2.47 0.0 0.0 0
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49446 11533034 1 O4N6C25H28 A4B6C25D28 -53.53 5.37 -8.5 -0.07 0
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49447 11533036 1 N2O5C28H32 A2B5C28D32 -141.65 4.41 -8.6 0.05 0
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49448 11533037 1 FSN4O4C23H29 ABC4D4E23F29 -182.38 8.79 -8.59 -0.6 0
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49449 11533038 1 O3N6C26H32 A3B6C26D32 -30.73 5.24 -8.55 -1.15 0
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49450 11533039 1 SO5C28H28 AB5C28D28 -160.81 6.39 -8.27 -0.58 0
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49451 11533040 1 SO3N4C26H28 AB3C4D26E28 -19.16 8.3 -8.65 -0.59 0
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49452 11533041 1 N2S2O5C23H28 A2B2C5D23E28 -144.16 8.22 -8.37 -0.8 0
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49453 11533043 1 NOSCl3H20C24 ABCD3E20F24 14.23 3.82 -8.88 -0.65 0
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49454 11533044 1 ClOSF3N4H16C22 ABCD3E4F16G22 -107.45 5.9 -8.74 -1.6 0
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49455 11533046 1 NF3O7C22H30 AB3C7D22E30 -456.23 1.98 -9.83 -0.21 0
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49456 11533047 1 F3N3O3C25H30 A3B3C3D25E30 -223.44 5.45 -8.37 -0.42 0
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49457 11533048 1 OF3N7C23H30 AB3C7D23E30 -116.17 6.34 -8.23 -0.64 0
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49458 11533050 1 O2N5H27C29 A2B5C27D29 65.82 3.16 -9.39 -1.22 0
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49459 11533051 1 N7C29H31 A7B29C31 126.1 5.25 -8.06 -0.85 0
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49460 11533052 1 Si2O3N5C22H39 A2B3C5D22E39 -177.91 1.33 -8.79 -0.66 0
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49461 11533054 1 N2O9H18C24 A2B9C18D24 -127.31 3.13 -8.95 -2.35 0
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49462 11533056 1 F3N4O5H21C22 A3B4C5D21E22 -257.28 13.49 -9.19 -1.34 0
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49463 11533057 1 OF4N4H18C26 AB4C4D18E26 -96.1 0.45 -9.31 -0.91 0
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49464 11533058 1 O9H22C26 A9B22C26 -251.6 5.07 -8.56 -1.05 0
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49465 11533059 1 F3N4O4C23H25 A3B4C4D23E25 -272.54 1.55 -9.13 -0.65 0
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49466 11533060 1 N2O7C26H26 A2B7C26D26 -190.92 3.79 -8.34 -1.65 0
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49467 11533061 1 N2O2F3H25C28 A2B2C3D25E28 -126.09 4.94 -8.45 -1.03 0
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49468 11533062 1 FO2N6C26H31 AB2C6D26E31 -35.82 5.21 -8.18 -1.02 0
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49469 11533063 1 SO4N8C20H30 AB4C8D20E30 -96.46 5.61 -8.48 -1.25 0
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49470 11533066 1 N2S2O5C23H30 A2B2C5D23E30 -194.25 7.75 -9.36 -0.76 0
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49471 11533069 1 O2N4C29H42 A2B4C29D42 -81.19 3.94 -8.58 -0.09 0
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49472 11533070 1 ClSO6C24H27 ABC6D24E27 -211.84 0.73 -9.1 -0.44 0
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49473 11533072 2 FNOC13H16 ABCD13E16 -157.52 4.65 -8.88 -0.48 0
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49474 11533075 1 BrON6C23H23 ABC6D23E23 102.27 6.33 -8.76 -1.14 0
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49475 11533076 1 BrO3N4C22H31 AB3C4D22E31 -86.33 5.85 -8.56 -0.39 0
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49476 11533079 1 F2N3O3C27H27 A2B3C3D27E27 -166.97 3.92 -8.3 -0.91 0
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49477 11533082 1 O4N5C26H33 A4B5C26D33 -112.61 4.14 -8.69 -0.5 0
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49478 11533083 1 O3N7C25H33 A3B7C25D33 -57.61 1.92 -7.98 -0.53 0
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49479 11533085 1 NNaO3C30H34 ABC3D30E34 -153.11 15.84 -8.43 -0.81 0
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49480 11533086 1 NO3C30H35 AB3C30D35 -98.25 4.21 -9.16 -0.72 0
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49481 11533089 1 ON5C30H33 AB5C30D33 31.2 2.53 -8.98 -0.63 0
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49482 11533095 1 BrN3O3H22C24 AB3C3D22E24 -57.41 3.59 -8.8 -1.67 0
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49483 11533098 1 N2O2F7C22H23 A2B2C7D22E23 -416.58 5.31 -9.46 -1.22 2
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49484 11533099 1 FeSN2C28H28 ABC2D28E28 111.96 3.84 -7.22 -0.19 0