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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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46403 10524274 1 NO3C25H25 AB3C25D25 -59.3 4.88 -8.9 -1.02 0
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46404 10524277 1 N3O4C21H29 A3B4C21D29 -169.32 1.75 -8.53 -0.09 0
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46405 10524278 1 O2N3C24H25 A2B3C24D25 141.55 3.38 -9.14 -0.66 0
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46407 10524282 1 NSO4C21H25 ABC4D21E25 -140.52 1.44 -8.68 -0.17 0
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46408 10524285 1 NO2C26H29 AB2C26D29 -32.83 2.68 -8.64 -0.43 0
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46409 10524290 1 N2Cl3O4H9C15 A2B3C4D9E15 -99.11 4.64 -9.32 -2.13 0
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46410 10524292 1 ClNOSF4H10C17 ABCDE4F10G17 -163.76 0.28 -9.45 -1.39 0
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46411 10524294 1 ClNSO2C21H22 ABCD2E21F22 -45.67 1.99 -9.16 -0.88 0
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46412 10524299 1 NOSnC17H35 ABCD17E35 -87.72 4.14 -8.45 0.73 0
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46413 10524302 1 FOCl2N3H12C19 ABC2D3E12F19 12.95 3.23 -8.81 -1.27 0
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46414 10524303 1 FCl2N5H12C18 AB2C5D12E18 63.04 2.04 -8.93 -1.09 0
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46415 10524306 1 BrO2N3C18H18 AB2C3D18E18 -18.94 3.1 -8.82 -0.77 0
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46416 10524320 1 N4O5C19H24 A4B5C19D24 -192.59 3.97 -8.76 -1.25 0
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46417 10524328 1 SN2O5C19H20 AB2C5D19E20 -124.03 7.91 -9.33 -1.66 1
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46418 10524347 1 N2C14H21 A2B14C21 48.66 1.75 0.0 0.0 0
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46419 10524348 1 SN2O3C21H28 AB2C3D21E28 -86.07 4.66 -8.76 -0.2 0
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46420 10524349 1 N4C25H32 A4B25C32 61.63 2.47 -8.1 0.03 0
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46421 10524350 1 OSN4C21H32 ABC4D21E32 40.18 6.99 -9.22 -1.29 0
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46422 10524351 1 SiN2O3C21H32 AB2C3D21E32 -146.73 7.74 -8.86 -0.48 0
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46423 10524356 1 SiO2C24H40 AB2C24D40 -157.01 0.74 -8.78 0.05 1
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46424 10524368 1 FSO2N4H12C16 ABC2D4E12F16 21.3 6.16 0.0 0.0 0
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46425 10524369 1 F3N3O4C17H22 A3B3C4D17E22 -300.81 4.16 -9.52 -0.8 0
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46426 10524371 1 FN3O5C19H20 AB3C5D19E20 -228.15 7.92 -9.91 -1.57 0
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46427 10524381 1 NSO6C19H19 ABC6D19E19 -203.36 7.82 -9.44 -1.5 0
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46428 10524382 1 NO4H23C24 AB4C23D24 -101.47 4.24 -9.36 -0.38 0
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46429 10524383 1 NO4H23C24 AB4C23D24 -90.49 4.8 -9.56 -0.39 0
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46430 10524387 1 N3O3C23H23 A3B3C23D23 -68.38 5.51 -8.64 -0.34 0
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46431 10524389 1 O2N5C22H23 A2B5C22D23 53.38 3.14 -9.45 -1.12 0
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46432 10524393 1 NO3C25H27 AB3C25D27 -68.96 5.41 -8.47 0.04 0
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46433 10524395 1 N3O4C21H31 A3B4C21D31 -200.23 3.1 -9.39 0.17 0
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46435 10524401 1 N3O3C22H35 A3B3C22D35 -156.42 5.55 -8.76 -0.05 0
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46436 10524405 1 NOSi2C23H27 ABC2D23E27 19.34 4.94 -8.19 -0.2 0
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46437 10524406 1 Si2N3O3C17H39 A2B3C3D17E39 -222.24 1.99 -8.88 0.29 0
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46438 10524411 1 ClNO2C23H32 ABC2D23E32 -98.48 4.58 -8.64 0.11 0
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46439 10524417 1 OBr2S2H6C12 AB2C2D6E12 65.95 0.46 -8.69 -1.34 0
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46440 10524418 1 BrSO2N3H12C16 ABC2D3E12F16 9.18 3.82 -9.03 -0.99 0
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46441 10524419 1 NCl2O3H17C20 AB2C3D17E20 -72.3 3.94 -8.82 -0.55 0
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46442 10524429 1 SO7H18C19 AB7C18D19 -214.42 13.92 -8.14 -1.39 0
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46443 10524430 1 PN4O5C16H31 AB4C5D16E31 -274.88 7.18 -8.6 -0.33 0
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46444 10524432 1 FSN2O6C16H23 ABC2D6E16F23 -280.34 5.95 -10.64 -1.39 0
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46445 10524435 1 N2S2O5H14C17 A2B2C5D14E17 -113.23 6.08 -9.01 -0.73 0
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46446 10524440 1 SN2O5C19H22 AB2C5D19E22 -179.14 4.66 -9.09 -0.61 0
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46447 10524442 1 SN2O3H18C22 AB2C3D18E22 -24.65 6.06 -8.24 -0.6 0
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46448 10524443 1 SN2O3H18C22 AB2C3D18E22 -18.91 3.04 -8.4 -1.01 0
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46449 10524446 1 O2N4C23H26 A2B4C23D26 -7.89 2.89 -8.32 -0.26 0
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46450 10524447 2 N2H11C13 A2B11C13 124.12 6.09 -8.63 -0.6 0
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46451 10524469 1 SSiO4C19H38 ABC4D19E38 -265.11 3.81 -8.76 0.22 0
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46452 10524470 1 OSiN2C23H42 ABC2D23E42 -128.6 1.25 -8.65 0.13 0
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46453 10524479 1 Cl2N2O3H16C19 A2B2C3D16E19 -43.19 1.71 -8.91 -0.77 0
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46454 10524481 1 BrN2O2C19H23 AB2C2D19E23 -33.18 5.65 -9.27 0.0 0
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46455 10524483 1 O2N3F4H13C19 A2B3C4D13E19 -190.86 6.83 -9.18 -1.04 0
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46456 10524485 1 NSF4O4H13C16 ABC4D4E13F16 -323.71 6.02 -9.87 -1.06 0
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46457 10524489 1 NF2O4C21H23 AB2C4D21E23 -241.88 6.14 -9.8 -0.64 0
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46458 10524497 1 NO4C24H25 AB4C24D25 -85.5 4.52 -8.91 -0.4 0
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46459 10524500 1 O2N5C22H25 A2B5C22D25 16.85 6.54 -9.22 -0.46 0
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46460 10524504 1 SO2N3H21C22 AB2C3D21E22 26.67 1.02 -8.18 -0.38 0
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46461 10524507 1 N3O3S3H13C16 A3B3C3D13E16 -36.89 2.42 -8.73 -0.97 0
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46462 10524512 1 OSN3C23H25 ABC3D23E25 20.99 4.33 -8.8 -0.41 0
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46463 10524514 1 SN5C22H25 AB5C22D25 92.84 5.16 -8.76 -0.41 0
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46464 10524521 1 ClN3O5C18H18 AB3C5D18E18 -102.94 6.59 -9.18 -1.23 0
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46465 10524525 1 Br2N2O3C12H12 A2B2C3D12E12 -79.45 5.36 -9.34 -0.91 0
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46466 10524530 1 NSCl2F2O3H9C15 ABC2D2E3F9G15 -150.31 2.02 -9.34 -1.44 0
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46467 10524535 1 IN2S2C13H17 AB2C2D13E17 38.97 3.18 -8.34 -0.54 0
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46468 10524537 1 OCl2N3C20H23 AB2C3D20E23 -11.91 4.26 -9.41 -0.75 0
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46469 10524564 1 FSO4C21H25 ABC4D21E25 -181.16 6.62 -9.79 -0.8 0
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46470 10524570 1 N2O3C24H28 A2B3C24D28 -92.83 3.77 -9.34 -0.83 0
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46471 10524571 1 ON2H24C27 AB2C24D27 60.87 8.16 -8.35 -0.1 0
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46472 10524572 1 SO5C21H28 AB5C21D28 -196.04 3.92 -9.49 -0.51 0
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46473 10524579 1 S2O3C21H28 A2B3C21D28 -121.16 5.4 -8.37 -0.53 0
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46474 10524585 1 ClO2N4H17C21 AB2C4D17E21 88.9 9.8 -8.46 -1.83 0
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46475 10524594 1 SN3C12H13 AB3C12D13 69.51 4.72 -8.82 -0.76 0
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46476 10524618 1 N5O5C18H27 A5B5C18D27 -181.85 6.22 -8.84 -0.24 0
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46478 10524627 1 O2N5C22H27 A2B5C22D27 -9.56 2.64 -8.17 -0.22 0
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46479 10524629 1 NSO3C23H23 ABC3D23E23 -38.28 4.51 -8.51 -0.29 0
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46480 10524630 1 NO5C22H35 AB5C22D35 -272.48 5.88 -8.68 0.37 0
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46481 10524632 1 NSSiO7C15H27 ABCD7E15F27 -357.35 5.1 -10.14 -0.37 0
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46482 10524635 1 NSiO4C21H35 ABC4D21E35 -233.73 1.28 -9.06 0.23 1
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46483 10524643 1 ClO2N3H21C22 AB2C3D21E22 14.36 4.78 0.0 0.0 0
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46484 10524648 2 OH2F5C7 AB2C5D7 -480.15 2.58 -10.61 -1.59 0
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46485 10524651 1 ISiO3C14H23 ABC3D14E23 -150.51 3.0 -9.74 -1.38 0
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46486 10524657 1 FON4H15C24 ABC4D15E24 88.19 3.06 -9.12 -1.64 0
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46487 10524659 1 N2O5C22H22 A2B5C22D22 -145.99 5.27 -8.84 -1.13 0
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46488 10524663 1 O3N6C20H22 A3B6C20D22 26.88 3.59 -8.4 -0.59 0
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46489 10524664 1 SN2O6C18H22 AB2C6D18E22 -164.8 5.56 -8.75 -1.26 0
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46490 10524681 1 O2N6C21H26 A2B6C21D26 31.34 10.83 -8.18 -1.88 0
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46491 10524698 1 SiO4C22H38 AB4C22D38 -256.01 2.39 -8.87 0.34 0
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46492 10524705 1 ClSN2O5H15C17 ABC2D5E15F17 -128.93 5.85 -9.34 -1.09 0
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46493 10524715 1 BrO5C18H19 AB5C18D19 -174.09 4.08 -10.19 -0.78 0
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46494 10524717 1 BrSN2O3H15C16 ABC2D3E15F16 -51.65 7.64 -9.65 -0.78 0
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46495 10524721 1 N5O6H13C18 A5B6C13D18 14.05 5.15 -10.38 -1.85 0
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46496 10524722 1 N3O3F6C14H23 A3B3C6D14E23 -468.3 2.49 -9.47 -0.28 0
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46497 10524732 1 SF2N3O3C18H19 AB2C3D3E18F19 -166.64 13.11 -8.98 -1.55 0
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46498 10524754 1 O2S2N3C19H29 A2B2C3D19E29 -82.04 5.08 -8.98 -0.78 0
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46499 10524795 1 N2O3C15H24 A2B3C15D24 -120.32 3.03 -8.39 0.21 0
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46500 10524804 1 SN2O6C18H24 AB2C6D18E24 -224.33 7.4 -9.48 -0.3 0
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46501 10524807 1 OPH25C27 ABC25D27 19.65 4.56 -8.87 -0.33 0
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46502 10524808 1 SO3N4C20H20 AB3C4D20E20 -35.83 6.08 -8.88 -0.71 0
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46503 10524812 1 N2O4C23H28 A2B4C23D28 -157.08 4.28 -9.33 -0.39 0
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46504 10524817 1 O3N4C22H28 A3B4C22D28 -97.71 2.94 -9.05 -0.55 0
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46505 10524826 4 NOC5H9 ABC5D9 -211.21 3.51 -9.59 0.64 0