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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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385504 134979256 1 BrClC12H24 ABC12D24 -70.8 4.35 -10.45 -0.03 0
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385505 134979259 1 O3C14H20 A3B14C20 -116.14 5.97 -9.17 -0.56 0
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385506 134979263 2 OC5H10 AB5C10 -111.37 1.25 -9.52 2.2 0
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385507 134979266 1 SiN2H8C9 AB2C8D9 48.88 5.16 -10.0 -0.69 0
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385508 134979269 1 BrGeCl2C7H13 ABC2D7E13 -91.72 3.42 -10.05 -1.57 0
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385509 134979270 1 GeIC10H13 ABC10D13 20.85 3.05 -9.12 -1.22 0
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385510 134979272 1 OSiC10H20 ABC10D20 -75.6 2.28 -9.27 0.59 0
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385511 134979273 1 SiO2C12H26 AB2C12D26 -162.46 1.89 -9.52 0.83 0
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385512 134979275 1 NaSSiSnO4C9H21 ABCDE4F9G21 -174.81 16.39 -8.7 -0.37 0
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385513 134979277 1 NPbC9H17 ABC9D17 61.6 3.6 -9.11 -0.12 0
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385514 134979278 1 PbO4C11H20 AB4C11D20 -146.78 0.93 -9.71 -0.51 0
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385515 134979281 1 BN3C9H13 AB3C9D13 39.23 10.84 0.0 0.0 0
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385516 134979286 1 BO2C16H33 AB2C16D33 -198.24 2.82 -9.58 1.38 0
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385517 134979288 1 SiO2C13H26 AB2C13D26 -151.45 1.47 -9.62 1.5 0
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385518 134979289 2 OC6H12 AB6C12 -144.52 1.76 -10.14 2.71 0
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385519 134979297 4 C4H7 A4B7 -30.44 0.12 -9.41 1.25 -2
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385520 134979298 1 AuPO2C22H25 ABC2D22E25 99.0 5.69 0.0 0.0 0
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385521 134979299 12 CH AB 166.26 0.54 -9.22 0.64 0
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385522 134979302 2 H9C13 A9B13 128.88 0.41 -8.64 -0.51 0
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385523 134979304 1 IC12H15 AB12C15 28.6 1.86 -9.35 -0.6 0
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385524 134979305 1 PO2C23H31 AB2C23D31 -99.9 6.1 -9.42 -0.19 0
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385525 134979310 2 H11C12 A11B12 141.4 0.35 -9.1 0.31 0
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385526 134979313 1 F3O3C15H17 A3B3C15D17 -291.44 3.79 -9.63 -0.36 0
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385527 134979314 18 CH AB 52.7 0.77 -8.72 -0.32 0
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385528 134979315 4 H5C6 A5B6 106.76 0.23 -8.91 -0.12 0
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385529 134979325 2 OC6H7 AB6C7 -7.52 2.26 -8.92 0.29 0
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385530 134979326 1 O2C7H12 A2B7C12 -60.68 0.69 -7.92 0.62 0
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385531 134979327 1 Si2O3C27H50 A2B3C27D50 -223.72 1.0 -8.02 -0.36 0
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385532 134979336 1 O2H22C31 A2B22C31 111.33 3.37 -9.39 -0.64 0
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385533 134979340 1 Si2O3C36H56 A2B3C36D56 -220.63 1.93 -8.77 0.07 0
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385534 134979341 2 OC8H10 AB8C10 -78.63 1.34 -9.21 0.13 0
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385535 134979344 1 OSiC13H24 ABC13D24 -102.6 1.78 -9.22 1.22 0
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385536 134979346 1 SiO6C18H30 AB6C18D30 -332.97 2.27 -9.19 0.14 0
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385537 134979349 1 SiO5C17H30 AB5C17D30 -303.12 4.21 -9.14 0.51 0
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385538 134979352 1 OSiC17H26 ABC17D26 -58.33 2.37 -9.16 0.45 0
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385539 134979354 1 Si2O3C36H56 A2B3C36D56 -221.38 1.4 -8.83 0.01 0
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385540 134979356 1 CrOC9H14 ABC9D14 15.02 1.19 -7.29 1.09 0
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385541 134979359 1 SO4C14H18 AB4C14D18 -132.37 5.64 -10.04 -0.52 0
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385542 134979367 1 N4H8C13 A4B8C13 175.58 6.63 -11.78 -0.44 0
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385546 134979377 1 NOF7H10C11 ABC7D10E11 -375.67 5.7 -10.4 0.35 0
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385547 134979378 1 NOF7H10C11 ABC7D10E11 -376.42 2.16 -10.3 0.06 0
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385548 134979381 1 C17H18 A17B18 49.5 0.15 -9.27 0.34 0
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385549 134979383 2 OC11H12 AB11C12 -4.41 1.62 -9.3 -0.51 0
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385550 134979384 1 SiO2C25H34 AB2C25D34 -93.31 2.84 -8.83 -0.46 0
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385551 134979387 1 NO7C17H17 AB7C17D17 -179.81 2.64 -10.36 -1.99 0
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385552 134979389 1 NSiO5C17H29 ABC5D17E29 -281.21 5.51 -9.11 0.33 0
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385553 134979391 1 NO4C26H27 AB4C26D27 -82.26 2.32 -9.44 -1.3 0
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385554 134979395 2 NOC14H22 ABC14D22 -12.77 1.04 -8.34 0.81 0
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385555 134979397 1 BBrO2C18H32 ABC2D18E32 -192.36 4.68 -9.48 0.0 0
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385556 134979398 1 O2C11H20 A2B11C20 -98.27 3.76 -9.79 0.62 0
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385557 134979400 1 SiO2C23H28 AB2C23D28 -68.19 3.24 -9.08 0.17 0
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385558 134979403 1 NO7C39H43 AB7C39D43 -199.71 6.8 -9.24 -0.23 0
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385560 134979408 3 O2H6C7 A2B6C7 -177.05 2.72 -8.78 -1.65 0
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385561 134979411 2 OC10H13 AB10C13 -67.46 2.78 -8.74 0.37 0
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385562 134979412 1 NO3C15H27 AB3C15D27 -167.72 3.89 -9.52 0.72 0
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385563 134979414 1 O2S2C19H20 A2B2C19D20 -16.28 5.57 -8.59 -0.4 0
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385564 134979415 2 OSC10H11 ABC10D11 -25.57 4.31 -8.72 -0.39 0
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385565 134979416 1 OC27H42 AB27C42 -28.71 1.98 -9.44 1.15 0
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385566 134979419 1 C15H26 A15B26 2.85 0.33 -9.49 2.77 0
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385567 134979420 1 H20C21 A20B21 92.13 0.36 -9.24 0.26 0
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385569 134979428 1 OC8H14 AB8C14 -62.98 2.13 -9.84 2.94 0
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385570 134979431 1 O5C25H34 A5B25C34 -203.39 4.76 -9.45 -0.14 0
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385571 134979439 2 OC4H5 AB4C5 -62.22 4.77 -9.65 -0.05 0
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385572 134979441 2 OC4H5 AB4C5 -27.83 1.86 -9.35 -0.61 0
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385573 134979443 1 O7C17H22 A7B17C22 -241.46 4.23 -9.69 -0.37 0
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385575 134979449 1 O4C15H24 A4B15C24 -174.44 1.35 -9.45 0.68 0
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385576 134979450 16 CH2 AB2 -58.38 0.48 -10.01 1.33 0
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385577 134979457 1 SN2O7C23H34 AB2C7D23E34 -250.93 6.75 -9.23 -0.85 0
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385578 134979461 1 SN2O8C24H36 AB2C8D24E36 -290.23 5.51 -9.29 -0.83 0
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385579 134979463 1 NO6C18H21 AB6C18D21 -235.81 7.02 -9.6 -0.65 0
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385580 134979466 1 SiO7C19H32 AB7C19D32 -384.72 2.9 -9.2 0.53 0
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385581 134979474 1 O2C15H18 A2B15C18 -67.51 4.17 -9.39 0.39 0
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385582 134979475 1 SiO3C12H22 AB3C12D22 -199.7 2.39 -9.66 0.68 0
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385583 134979480 1 O7C16H16 A7B16C16 -253.32 3.9 -10.32 -1.42 0
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385584 134979482 2 OC7H14 AB7C14 -122.65 2.95 -9.79 0.93 0
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385585 134979483 1 BrSO2H17C18 ABC2D17E18 -9.16 4.83 -9.64 -0.39 0
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385586 134979484 1 SiO3C27H36 AB3C27D36 -151.51 6.92 -8.75 -0.5 0
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385587 134979486 1 OH18C19 AB18C19 33.7 1.78 -9.34 0.13 0
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385588 134979488 1 NO3C19H29 AB3C19D29 -138.93 1.71 -9.66 0.5 0
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385589 134979493 1 O2C13H26 A2B13C26 -149.59 1.71 -10.76 0.84 0
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385590 134979496 7 C3H4 A3B4 5.42 0.67 -9.2 0.37 0
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385591 134979497 2 O2C8H11 A2B8C11 -164.56 2.58 -9.46 0.29 0
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385592 134979504 2 C9H14 A9B14 -12.54 0.29 -9.32 0.43 0
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385593 134979507 1 C19H32 A19B32 -19.35 0.38 -8.8 1.45 0
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385594 134979511 1 NO3C23H25 AB3C23D25 -81.72 6.59 -8.53 -0.21 0
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385595 134979513 11 CH2 AB2 -40.01 0.2 -10.05 3.83 0
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385596 134979515 1 NNiO4C13H17 ABC4D13E17 -42.79 4.39 -7.9 -0.54 0
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385597 134979517 1 Si3O5C48H90 A3B5C48D90 -422.67 2.3 -8.72 0.22 0
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385598 134979518 1 OC27H42 AB27C42 -76.62 4.39 -8.6 -0.12 0
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385599 134979520 2 OC11H17 AB11C17 -78.99 2.56 -8.64 0.37 0
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385600 134979521 1 NSO4C23H35 ABC4D23E35 -167.9 7.21 -9.68 -0.36 0
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385601 134979523 1 O2C11H16 A2B11C16 -102.01 5.39 -9.66 0.86 0
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385602 134979528 1 NO3C9H13 AB3C9D13 -25.04 5.13 -10.04 -0.38 0
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385603 134979529 1 ClNO5C16H20 ABC5D16E20 -135.63 1.58 -9.94 -0.55 0
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385604 134979530 1 NO6C17H23 AB6C17D23 -167.83 1.47 -9.08 -0.42 0
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385605 134979531 1 N2O7C16H20 A2B7C16D20 -130.83 6.24 -10.65 -1.64 0
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385606 134979532 1 OSiC20H24 ABC20D24 -25.16 2.22 -9.23 0.12 0
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385607 134979535 1 O5C15H22 A5B15C22 -227.5 2.94 -9.43 0.04 0
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385608 134979536 1 NO6C21H27 AB6C21D27 -251.24 5.33 -9.08 -0.28 0
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385609 134979537 1 BrSi2O3C35H53 AB2C3D35E53 -213.69 2.01 -8.85 -0.83 0