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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393345 135020212 1 O6C17H24 A6B17C24 -242.26 3.6 -9.85 -1.34 0
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393346 135020220 1 O7C18H28 A7B18C28 -319.98 2.29 -9.62 -0.29 0
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393347 135020222 1 N2O11C41H50 A2B11C41D50 -358.52 7.53 -8.9 -2.0 0
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393348 135020224 1 O4C11H14 A4B11C14 -154.44 5.37 -10.14 -0.46 0
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393349 135020226 1 NSO3C15H19 ABC3D15E19 -97.72 5.48 -9.39 -0.38 0
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393350 135020260 1 Si3O8C47H88 A3B8C47D88 -573.71 3.55 -8.57 0.1 0
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393351 135020261 1 ClSi2O7C41H73 AB2C7D41E73 -479.43 3.6 -8.79 0.01 0
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393352 135020262 1 O8C19H24 A8B19C24 -348.97 3.73 -9.05 0.11 0
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393353 135020269 1 NSO3C16H21 ABC3D16E21 -66.75 4.58 -9.48 -0.32 0
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393354 135020270 2 NO3C10H10 AB3C10D10 -169.49 1.45 -9.04 -1.17 0
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393356 135020273 1 N2O4C6H11 A2B4C6D11 -142.28 3.76 0.0 0.0 0
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393357 135020284 1 N3O5C27H35 A3B5C27D35 -123.76 8.04 -9.66 -0.02 0
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393358 135020285 1 N3O5C27H31 A3B5C27D31 -93.49 7.3 -9.8 -0.71 0
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393359 135020289 1 N8C31H48 A8B31C48 77.62 9.09 -9.1 -0.95 0
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393361 135020318 1 BrO5H21C25 AB5C21D25 -120.85 5.62 -9.63 -1.43 0
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393363 135020320 1 NOC17H19 ABC17D19 -26.54 4.32 -8.78 -0.06 0
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393364 135020326 1 NSO3C20H21 ABC3D20E21 -20.3 5.78 -9.46 -0.42 0
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393365 135020327 1 NO7C21H21 AB7C21D21 -219.69 3.27 -9.4 -1.27 0
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393367 135020333 1 NO2C20H23 AB2C20D23 -64.6 4.51 -9.46 -0.16 0
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393368 135020334 1 SO4C12H20 AB4C12D20 -194.82 4.8 -9.12 0.21 0
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393369 135020335 1 NO7C21H21 AB7C21D21 -190.21 6.41 -8.88 -0.5 -2
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393370 135020336 1 NO4H15C18 AB4C15D18 -61.68 6.26 -9.65 -0.75 0
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393373 135020344 1 O3C17H26 A3B17C26 -155.53 4.53 -9.73 0.03 0
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393374 135020347 1 ClO2H13C15 AB2C13D15 -5.07 3.25 -8.73 -0.63 1
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393375 135020348 1 NOC8H10 ABC8D10 1.06 5.69 0.0 0.0 0
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393376 135020349 1 F3C20H23 A3B20C23 -118.7 6.64 -9.01 -0.76 0
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393377 135020350 1 BrNOH18C22 ABCD18E22 96.74 1.62 -9.18 -0.35 0
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393378 135020351 1 BrNOH18C22 ABCD18E22 97.05 1.74 -9.13 -0.33 0
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393380 135020353 1 OPH19C25 ABC19D25 58.05 0.92 -8.66 -0.65 0
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393381 135020354 1 OSiC22H30 ABC22D30 -64.12 2.54 -8.86 0.2 0
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393382 135020355 1 SN2O3C16H22 AB2C3D16E22 -84.86 7.15 -9.12 -0.52 0
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393383 135020356 1 SN2O3C19H22 AB2C3D19E22 -65.34 4.44 -9.14 -0.54 0
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393384 135020357 2 OH8C12 AB8C12 32.51 0.74 -8.01 -1.06 0
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393385 135020358 1 PO2H19C25 AB2C19D25 3.46 5.35 -8.78 -0.71 0
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393386 135020359 1 SN2O3C20H32 AB2C3D20E32 -125.44 6.7 -9.17 -0.31 0
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393387 135020360 1 SN2O3C15H22 AB2C3D15E22 -104.93 7.09 -9.12 -0.69 0
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393388 135020361 1 OH20C28 AB20C28 85.81 0.06 -8.46 -0.58 0
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393389 135020362 1 BrMgH25C26 ABC25D26 15.35 1.9 -8.26 -0.92 0
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393390 135020363 26 CH AB 45.33 1.08 -8.22 -0.88 0
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393391 135020364 2 OH33C37 AB33C37 100.89 3.5 -8.14 -1.02 0
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393392 135020365 2 OH31C36 AB31C36 88.48 3.73 -8.12 -1.09 0
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393393 135020378 1 O6H20C25 A6B20C25 -120.63 2.23 -8.36 -1.33 0
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393394 135020379 1 SiO3C19H36 AB3C19D36 -236.98 4.15 -8.77 0.4 -1
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393395 135020397 1 ClO2H12C15 AB2C12D15 -5.05 0.98 0.0 0.0 0
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393397 135020412 1 SiO5C31H34 AB5C31D34 -187.03 1.31 -8.92 -1.61 0
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393398 135020413 1 O5H18C25 A5B18C25 -102.24 4.36 -9.34 -1.93 0
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393399 135020425 1 N3O3H19C21 A3B3C19D21 -56.92 1.76 -8.95 -0.38 1
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393400 135020430 1 N2H21C26 A2B21C26 142.17 3.74 0.0 0.0 0
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393401 135020452 1 NOH15C17 ABC15D17 52.25 4.59 -8.74 -1.07 0
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393403 135020462 1 N2O6C17H24 A2B6C17D24 -261.79 2.13 -9.26 -0.92 0
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393404 135020464 1 O2N3C10H13 A2B3C10D13 -8.86 5.03 -9.24 -0.79 0
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393405 135020465 1 N2O5H16C19 A2B5C16D19 -153.3 7.03 -9.19 -0.84 0
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393406 135020470 1 BrNOF3H7C15 ABCD3E7F15 -100.01 5.7 -9.16 -1.31 0
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393407 135020472 1 N3H9C16 A3B9C16 169.29 2.36 -9.09 -1.35 0
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393408 135020474 2 NO2H7C8 AB2C7D8 -33.31 6.39 -9.21 -1.55 0
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393409 135020475 1 SN2H6C9 AB2C6D9 125.27 4.0 -9.15 -1.09 0
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393410 135020479 5 NOC3H3 ABC3D3 -27.32 5.18 -10.12 -2.09 0
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393411 135020480 1 N3O7C20H25 A3B7C20D25 -212.8 5.69 -9.88 -1.92 0
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393412 135020481 2 O2F3H12C18 A2B3C12D18 -363.24 6.08 -8.52 -0.97 0
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393413 135020482 2 O2F3H16C20 A2B3C16D20 -399.93 1.12 -8.75 -0.81 0
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393414 135020486 2 NF3O4H11C18 AB3C4D11E18 -359.48 8.95 -9.32 -1.71 0
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393415 135020488 1 O2C13H14 A2B13C14 -38.55 4.74 -10.06 -0.42 0
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393416 135020491 1 SO7C20H30 AB7C20D30 -306.13 4.39 -9.01 0.06 0
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393417 135020492 1 O6C15H16 A6B15C16 -241.48 4.66 -9.71 -1.22 0
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393418 135020493 1 BrOH11C14 ABC11D14 35.96 2.72 -9.03 -0.2 0
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393419 135020494 1 BrO2H15C16 AB2C15D16 -35.57 5.27 -9.32 -0.49 0
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393420 135020496 1 ON2F3H15C19 AB2C3D15E19 -103.93 5.81 -8.8 -0.72 0
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393421 135020497 1 N2F3H15C18 A2B3C15D18 -72.0 4.51 -8.62 -0.42 0
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393422 135020499 1 BrIO2N4H6C9 ABC2D4E6F9 102.97 4.53 -9.84 -1.66 0
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393423 135020510 1 OF3H15C17 AB3C15D17 -149.5 4.59 -8.86 -0.6 0
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393424 135020530 2 OH9C10 AB9C10 33.67 2.79 -8.97 -0.03 0
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393425 135020536 1 NSO4H17C22 ABC4D17E22 -78.33 5.65 -8.78 -0.79 0
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393426 135020545 1 N2O2F3H15C19 A2B2C3D15E19 -146.97 5.22 -8.82 -0.76 0
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393427 135020551 1 O6C23H28 A6B23C28 -208.95 2.52 -9.45 -0.7 0
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393428 135020553 1 O5C21H30 A5B21C30 -216.38 2.56 -8.9 0.48 0
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393429 135020557 1 NO7C21H25 AB7C21D25 -214.74 4.24 -8.62 -1.06 0
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393430 135020561 1 ISiO3C19H29 ABC3D19E29 -150.6 1.33 -8.76 -0.88 0
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393431 135020564 1 ClN2O5H13C18 AB2C5D13E18 -152.11 7.52 -9.46 -1.32 0
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393432 135020565 1 N2O6H16C19 A2B6C16D19 -187.54 5.99 -9.28 -0.93 0
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393433 135020588 3 NOC6H7 ABC6D7 -31.68 6.66 -8.62 -0.54 0
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393434 135020591 1 O10H24C25 A10B24C25 -365.99 2.66 -9.2 -2.32 0
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393435 135020592 1 OI2H12C18 AB2C12D18 50.69 1.6 -8.95 -1.35 0
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393436 135020594 1 SF2N3O4H15C20 AB2C3D4E15F20 -125.07 2.5 -9.36 -1.2 1
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393437 135020596 1 SN5C26H36 AB5C26D36 68.98 10.34 0.0 0.0 0
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393438 135020597 1 SN5C26H35 AB5C26D35 50.45 8.97 -8.26 -0.42 0
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393439 135020598 1 N2H12C13 A2B12C13 99.81 4.94 -8.8 -0.56 0
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393440 135020599 2 NO2H7C8 AB2C7D8 -36.17 5.77 -9.36 -1.53 0
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393441 135020601 1 O6H26C29 A6B26C29 -137.24 4.9 -8.53 -1.43 0
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393442 135020610 1 O2H16C23 A2B16C23 9.6 3.52 -9.18 -0.95 0
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393443 135020611 1 NO5H13C23 AB5C13D23 -30.89 7.08 -9.07 -2.02 0
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393444 135020615 1 BrO2H15C16 AB2C15D16 -24.81 3.38 -8.82 -0.4 0
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393445 135020616 1 BrO3C17H17 AB3C17D17 -59.36 4.42 -8.32 -0.29 0
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393446 135020617 1 BrO5C19H21 AB5C19D21 -130.24 3.54 -8.67 -0.4 0
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393447 135020618 1 BrO4C18H19 AB4C18D19 -89.3 4.22 -8.58 -0.25 0
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393448 135020619 1 BrO6C20H23 AB6C20D23 -162.99 3.53 -8.3 -0.39 0
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393449 135020620 1 BrO4C18H19 AB4C18D19 -99.28 2.92 -8.66 -0.26 0
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393450 135020622 1 NC19H33 AB19C33 -22.94 1.14 -8.43 0.62 0
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393451 135020623 1 BrO3C17H17 AB3C17D17 -73.03 4.78 -9.05 -0.28 0
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393452 135020624 1 O2C13H14 A2B13C14 -66.2 4.9 -9.3 -0.5 0
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393453 135020625 1 SeO2H16C17 AB2C16D17 -36.25 4.53 -8.64 -0.41 0