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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390415 134999056 1 NOPH24C28 ABCD24E28 29.45 5.44 -8.95 -0.73 0
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390416 134999058 1 NOSC26H31 ABCD26E31 0.47 2.8 -8.44 -0.03 0
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390419 134999074 1 OSN2C11H14 ABC2D11E14 0.59 4.73 -8.9 -0.44 0
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390420 134999079 1 NOSC16H19 ABCD16E19 0.88 2.87 -8.22 -0.6 0
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390421 134999083 1 NSO3H19C21 ABC3D19E21 -31.03 4.1 -9.07 -0.41 0
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390422 134999096 1 ClO3N4C15H17 AB3C4D15E17 -9.95 4.08 -8.68 -1.26 0
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390423 134999098 1 SiC18H22 AB18C22 17.07 0.85 -9.14 0.47 0
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390424 134999111 1 ClSN4C21H21 ABC4D21E21 89.92 5.8 -8.72 -0.77 0
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390425 134999114 1 O8C11H20 A8B11C20 -359.22 3.43 -10.39 -0.37 0
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390426 134999115 1 O3C13H24 A3B13C24 -142.65 2.09 -9.75 1.11 0
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390427 134999116 1 O3C12H16 A3B12C16 -107.29 3.7 -9.81 -0.09 0
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390428 134999117 1 NOC17H19 ABC17D19 -7.18 2.69 -8.1 0.14 0
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390429 134999118 1 NOC21H25 ABC21D25 -21.13 4.51 -8.23 0.4 0
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390430 134999126 1 SN2O3C15H16 AB2C3D15E16 -38.06 1.44 -9.46 -0.84 0
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390431 134999129 1 SiO6C15H30 AB6C15D30 -329.37 2.61 -9.83 1.29 0
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390432 134999137 1 SiO8C41H62 AB8C41D62 -378.9 2.29 -8.71 0.28 0
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390433 134999140 1 NO3C19H19 AB3C19D19 -57.22 2.28 -8.31 -0.34 0
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390434 134999142 1 SiO3C16H24 AB3C16D24 -123.25 1.13 -9.36 0.39 0
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390435 134999143 1 NSiO2C20H33 ABC2D20E33 -103.55 1.76 -9.28 0.42 0
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390436 134999145 1 SiO2C16H26 AB2C16D26 -120.87 3.32 -9.38 0.3 0
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390437 134999148 1 N2O2C35H64 A2B2C35D64 -198.52 3.44 -8.67 0.84 0
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390438 134999156 1 NO6C29H37 AB6C29D37 -259.34 4.81 -8.6 0.05 0
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390439 134999157 1 CrO5C17H18 AB5C17D18 -20.06 3.59 -7.1 -0.03 0
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390440 134999161 1 NO2C18H23 AB2C18D23 -30.42 2.6 -9.2 0.27 0
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390441 134999166 1 NSSiO2C22H31 ABCD2E22F31 -78.57 4.66 -9.28 -0.11 0
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390442 134999167 1 NSSiO3C18H25 ABCD3E18F25 -98.31 4.5 -9.09 -0.15 1
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390443 134999171 1 SSiN3O3C15H22 ABC3D3E15F22 -61.23 3.74 0.0 0.0 0
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390444 134999172 1 CrSi2O5C31H48 AB2C5D31E48 -179.53 2.8 -7.84 -0.36 0
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390445 134999174 1 SN8O38C66H110 AB8C38D66E110 -1765.41 18.23 -9.3 -0.17 0
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390446 134999175 1 NSnC11H23 ABC11D23 -13.72 1.88 -8.44 1.13 0
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390447 134999183 2 NO3C11H15 AB3C11D15 -259.86 6.66 -8.9 0.11 0
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390448 134999198 1 ON2C16H22 AB2C16D22 4.29 2.86 -9.23 0.51 0
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390449 134999199 1 ON2C17H24 AB2C17D24 1.02 1.39 -9.32 0.43 0
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390450 134999203 1 ClON6C19H21 ABC6D19E21 88.37 2.74 -8.8 -1.43 0
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390451 134999220 1 NOC18H21 ABC18D21 1.1 2.0 -8.14 0.31 0
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390452 134999224 1 NSC23H23 ABC23D23 69.96 2.67 -8.22 -0.05 0
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390453 134999229 1 NOSH33C35 ABCD33E35 77.38 2.98 -8.38 -0.05 0
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390454 134999243 1 OSCl2N2H14C16 ABC2D2E14F16 15.86 3.82 -9.09 -0.84 0
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390455 134999251 1 ClO5C22H23 AB5C22D23 -187.66 3.2 -9.5 -0.97 0
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390456 134999258 1 NSO4C20H29 ABC4D20E29 -182.86 3.77 -8.63 0.01 0
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390457 134999260 1 NSO6C11H13 ABC6D11E13 -157.82 2.7 -9.44 -0.7 0
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390458 134999267 1 NSO5C26H29 ABC5D26E29 -129.53 4.25 -8.54 -0.32 0
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390459 134999268 1 OSF3N3H6C11 ABC3D3E6F11 -115.08 8.13 -9.58 -1.68 1
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390460 134999270 1 NO3C19H28 AB3C19D28 -118.35 4.11 0.0 0.0 0
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390461 134999271 1 AlNCl2O3C16H22 ABC2D3E16F22 -196.48 5.68 -8.68 -0.26 0
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390463 134999281 5 C3H4 A3B4 20.39 0.56 -8.79 0.4 0
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390464 134999283 1 ClNOF3H7C14 ABCD3E7F14 -129.47 4.87 -9.66 -1.39 0
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390465 134999284 1 NO4C15H25 AB4C15D25 -208.03 2.7 -9.88 -0.32 0
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390466 134999294 1 NSO5C9H9 ABC5D9E9 -130.68 4.42 -9.36 -0.78 0
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390467 134999299 1 NOC16H23 ABC16D23 -24.71 0.59 -9.02 0.34 0
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390468 134999305 1 OSiC13H20 ABC13D20 -55.72 2.65 -9.02 0.19 0
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390469 134999309 1 SN2O2H20C21 AB2C2D20E21 -8.74 8.56 -8.5 -0.68 0
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390470 134999310 1 SiO2C13H22 AB2C13D22 -126.9 1.75 -8.72 0.74 0
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390471 134999311 1 CoO3C5H10 AB3C5D10 -130.31 10.8 0.0 0.0 0
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390472 134999312 1 N3O4C13H17 A3B4C13D17 -113.68 2.36 -9.09 -0.15 0
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390473 134999313 1 N3C13H27 A3B13C27 5.1 4.57 -8.42 0.49 0
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390474 134999314 1 PN2O3H17C25 AB2C3D17E25 -14.37 6.2 -9.26 -1.88 0
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390475 134999319 1 BSiO2C23H31 ABC2D23E31 -153.41 2.77 -8.82 0.34 0
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390476 134999324 1 SiO3C17H30 AB3C17D30 -188.49 3.19 -8.64 0.18 0
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390478 134999329 1 BO5C38H43 AB5C38D43 -161.65 1.3 -9.21 0.15 0
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390479 134999335 1 SiB2F4O5C47H56 AB2C4D5E47F56 -495.11 2.17 -8.67 -0.48 0
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390480 134999337 1 NO4C17H21 AB4C17D21 -162.56 2.39 -10.31 -1.41 0
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390481 134999354 1 NSiC19H23 ABC19D23 56.71 1.39 -9.16 0.08 0
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390482 134999369 2 O3C15H16 A3B15C16 -198.58 2.36 -9.44 -0.11 0
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390483 134999379 1 N2O2C15H22 A2B2C15D22 -35.01 1.73 -8.36 0.3 0
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390484 134999387 1 OSN2C12H14 ABC2D12E14 7.45 2.49 -8.74 -0.81 0
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390485 134999401 1 NF3O3H12C18 AB3C3D12E18 -159.97 1.5 -9.01 -1.35 -1
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390487 134999405 1 SN2O3H22C26 AB2C3D22E26 43.39 2.54 -9.32 -0.93 0
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390488 134999406 1 OC14H20 AB14C20 -31.29 2.02 -9.24 0.3 0
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390489 134999409 1 SiO2C17H32 AB2C17D32 -170.51 3.31 -8.55 0.7 0
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390490 134999410 1 O3C11H18 A3B11C18 -144.3 2.07 -10.24 0.15 0
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390491 134999411 1 NO3C20H21 AB3C20D21 -74.77 3.13 -8.71 -0.36 0
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390492 134999415 1 NaSeC9H19 ABC9D19 -39.09 9.62 -6.64 -0.26 -1
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390493 134999423 1 ORhSiC21H25 ABCD21E25 19.17 16.93 -10.26 -3.02 0
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390494 134999427 1 SN2O2C16H24 AB2C2D16E24 -65.83 7.23 -9.02 -0.47 0
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390495 134999428 1 SiO2C15H30 AB2C15D30 -156.83 1.46 -8.84 -0.13 3
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390496 134999431 1 BrCoP3F7C16H30 ABC3D7E16F30 -491.98 2.84 -7.92 -5.79 0
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390497 134999432 1 OH14C17 AB14C17 61.48 2.05 -8.67 -0.14 0
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390498 134999440 1 BO2C16H29 AB2C16D29 -182.23 3.1 -8.93 0.52 0
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390499 134999442 1 O2C15H26 A2B15C26 -133.68 5.37 -10.51 0.93 0
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390500 134999446 1 NO7C15H25 AB7C15D25 -341.55 3.26 -10.07 0.23 0
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390501 134999452 1 ClN2O2C22H23 AB2C2D22E23 -64.33 3.3 -8.7 -0.34 0
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390502 134999453 1 NO2H17C18 AB2C17D18 -9.87 4.92 -8.49 -0.79 0
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390503 134999457 1 OC14H18 AB14C18 -29.6 1.97 -9.3 0.44 0
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390504 134999458 1 NOSiC21H33 ABCD21E33 -84.56 1.99 -8.7 0.23 0
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390505 134999461 1 N2O2H14C17 A2B2C14D17 38.88 6.34 -8.52 -1.33 0
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390506 134999466 1 NO3C21H25 AB3C21D25 -69.18 4.68 -8.76 0.24 0
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390507 134999472 1 NO2C22H25 AB2C22D25 -16.32 1.67 -9.06 -0.13 0
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390508 134999491 1 ClO5C24H27 AB5C24D27 -197.28 4.3 -9.54 -0.58 0
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390509 134999493 1 ON4C18H18 AB4C18D18 62.56 3.8 -9.87 -0.46 0
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390510 134999497 1 F3O3C14H17 A3B3C14D17 -211.84 2.7 -9.44 -0.62 0
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390511 134999508 1 NSO7C10H13 ABC7D10E13 -241.64 4.93 -10.79 -1.13 0
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390512 134999509 1 ClOSN2C15H15 ABCD2E15F15 19.28 4.16 -8.72 -0.78 0
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390513 134999513 1 S3O5N7C19H21 A3B5C7D19E21 -43.73 4.31 -8.31 -0.98 1
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390514 134999514 1 S3O5N7C19H22 A3B5C7D19E22 -40.43 8.61 0.0 0.0 0
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390515 134999517 1 FeNSO3H15C16 ABCD3E15F16 141.18 24.14 -7.04 -3.68 0
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390516 134999520 2 NPSO2F6C9H13 ABCD2E6F9G13 -979.59 7.33 -8.23 -2.12 0
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390517 134999525 1 BrNF3C13H13 ABC3D13E13 -123.23 4.04 -8.69 -0.31 0
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390518 134999526 1 NSO3C23H27 ABC3D23E27 -76.03 6.49 -8.99 -0.5 0
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390519 134999536 1 SnO2C17H32 AB2C17D32 -99.13 4.59 -9.69 0.62 0