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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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25471 625407 1 IN2C10H11 AB2C10D11 61.56 1.69 -9.02 -0.77 0
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25472 625420 1 O3C19H28 A3B19C28 -169.75 5.16 -9.58 0.9 0
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25473 625454 2 ClNH2O2C5 ABC2D2E5 -14.5 4.36 -10.3 -2.53 -4
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25474 625457 1 BC11H11 AB11C11 93.19 1.34 -8.43 -0.56 0
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25475 625460 1 NOSiH15C19 ABCD15E19 27.08 5.84 -9.64 -1.0 0
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25476 625580 1 ClFON2H16C18 ABCD2E16F18 -35.25 3.02 -9.16 -0.88 0
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25477 625581 2 O3C9H10 A3B9C10 -188.33 8.27 -8.33 -0.18 0
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25478 625587 1 ON2H20C25 AB2C20D25 88.94 2.02 -9.05 -0.82 0
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25479 625588 4 OC6H9 AB6C9 -229.2 7.26 -9.78 0.34 -6
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25480 625640 1 SiC10H16 AB10C16 1.01 1.25 -8.59 0.56 0
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25481 625642 1 ClINO2C17H17 ABCD2E17F17 -47.17 6.87 -8.62 -0.88 0
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25482 625645 1 NO9C14H21 AB9C14D21 -359.35 3.39 -9.1 0.04 0
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25483 625668 1 SH16C20 AB16C20 124.44 0.82 -8.62 -0.79 0
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25484 625671 1 Si2Cl4H6C7 A2B4C6D7 -157.65 0.7 -9.74 -0.64 0
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25485 625672 1 Br2N2C11H12 A2B2C11D12 40.4 2.46 -8.75 -0.6 0
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25486 625681 1 ClS2H9C15 AB2C9D15 76.34 2.95 -8.65 -1.81 0
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25487 625687 1 ClN5C14H16 AB5C14D16 48.4 1.85 -8.73 -0.18 0
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25488 625690 1 NO2F3H12C16 AB2C3D12E16 -187.4 6.41 -9.46 -1.08 0
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25489 625692 1 ClNH12C19 ABC12D19 89.5 3.17 -8.74 -1.42 0
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25490 625752 1 N2O7C18H36 A2B7C18D36 -299.49 4.79 -8.71 1.55 0
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25491 625837 1 N2O2Si3C21H38 A2B2C3D21E38 -220.21 1.35 -7.99 0.1 0
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25492 625848 1 ON2H18C19 AB2C18D19 37.66 0.81 -8.6 -1.03 0
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25493 625861 1 SN2O2C15H18 AB2C2D15E18 -31.36 2.26 -8.34 -0.87 0
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25494 625872 1 N2S2C15H18 A2B2C15D18 51.83 7.16 -7.89 -0.94 0
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25495 625873 1 ClNO4C18H20 ABC4D18E20 -152.41 4.67 -8.88 -0.62 0
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25496 625875 1 O2F3H9C16 A2B3C9D16 -189.65 2.77 -9.72 -1.71 0
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25497 625876 1 O2F3H9C16 A2B3C9D16 -189.9 5.4 -9.7 -1.58 0
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25498 625877 1 O2C19H30 A2B19C30 -141.04 2.08 -9.08 1.31 0
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25499 625879 2 C11H13 A11B13 -9.23 1.0 -8.27 -0.04 0
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25500 625880 1 ClOSN2H11C14 ABCD2E11F14 16.54 4.72 -8.29 -0.83 0
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25501 625881 1 ClSO3N4C14H15 ABC3D4E14F15 -83.45 8.73 -9.18 -0.89 0
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25502 625883 1 OCl2N2H8C14 AB2C2D8E14 41.09 4.87 -9.18 -1.47 0
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25503 625949 1 SN3O4H9C12 AB3C4D9E12 32.63 7.17 -9.25 -1.55 0
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25504 625961 1 N4F6H10C15 A4B6C10D15 -215.7 7.09 -9.35 -1.45 0
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25505 626015 2 NOH8C9 ABC8D9 -4.15 5.01 -8.81 -0.87 0
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25506 626016 1 NO2H17C19 AB2C17D19 -0.9 5.39 -8.64 -0.31 0
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25507 626017 1 N2C37H58 A2B37C58 50.26 4.46 -8.13 -0.27 0
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25508 626023 1 NCl2O2H7C14 AB2C2D7E14 -28.01 1.27 -9.23 -2.02 0
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25509 626024 1 NCl2O2H7C14 AB2C2D7E14 -27.75 1.47 -9.06 -1.77 0
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25510 626052 1 NO4S4C11H13 AB4C4D11E13 -157.83 3.9 -9.32 -1.93 0
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25511 626064 1 NO4C30H47 AB4C30D47 -189.95 3.46 -8.67 0.18 0
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25512 626074 2 NOH8C9 ABC8D9 31.88 2.94 -8.25 -0.92 0
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25513 626099 1 PC20H21 AB20C21 59.63 1.25 -8.58 0.19 0
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25514 626101 1 FSN2O2H13C14 ABC2D2E13F14 -55.64 2.55 -8.3 -1.18 0
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25515 626102 1 FSN2O3H9C13 ABC2D3E9F13 -72.75 4.24 -10.06 -1.38 0
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25516 626104 1 ClSiH13C18 ABC13D18 23.54 1.71 -8.84 -0.76 0
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25517 626105 1 ClN2O2F3H8C11 AB2C2D3E8F11 -190.6 3.35 -9.24 -1.38 0
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25518 626107 1 FOC19H29 ABC19D29 -138.72 3.1 -8.92 1.52 0
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25519 626110 1 OC21H24 AB21C24 -31.67 1.12 -8.36 -0.32 0
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25520 626111 1 ON4H16C17 AB4C16D17 102.42 5.91 -8.49 -0.93 1
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25521 626112 1 ON4C17H17 AB4C17D17 96.34 3.15 0.0 0.0 0
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25522 626113 2 FH7C10 AB7C10 -54.32 2.44 -8.34 -1.06 0
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25523 626232 1 O3H18C19 A3B18C19 -73.81 5.82 -9.13 -0.45 0
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25524 626235 1 NOCl2H13C15 ABC2D13E15 -10.21 4.76 -9.0 -1.04 0
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25525 626236 1 BrO2N6H21C26 AB2C6D21E26 127.05 5.05 -8.81 -2.21 0
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25526 626237 1 ClN3O4H8C12 AB3C4D8E12 25.76 6.98 -9.8 -1.78 0
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25527 626243 1 NSBr2H3C7 ABC2D3E7 65.48 1.74 -9.32 -1.31 -8
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25528 626249 1 FePC22H33 ABC22D33 83.67 0.6 -7.05 -0.23 0
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25529 626250 1 O2N3C18H19 A2B3C18D19 17.81 3.37 -8.14 -1.28 0
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25530 626255 1 SO3C20H20 AB3C20D20 -86.55 7.42 -8.32 -0.6 0
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25531 626256 1 O5C20H28 A5B20C28 -245.74 8.57 -8.69 0.22 -4
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25532 626283 4 SiC4H9 AB4C9 -82.36 0.15 -7.65 0.18 0
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25533 626284 2 O2H7C9 A2B7C9 -68.16 1.18 -8.51 -1.14 0
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25535 626300 1 ClO3N4H11C12 AB3C4D11E12 11.35 4.1 -9.27 -1.3 0
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25536 626301 1 O3N4H10C15 A3B4C10D15 58.57 5.06 -9.68 -1.68 0
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25537 626302 1 N2O3H14C17 A2B3C14D17 -25.81 4.28 -8.74 -1.36 0
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25538 626303 2 O2C10H11 A2B10C11 -144.79 5.17 -9.82 -0.57 0
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25539 626304 1 SF3N4H5C12 AB3C4D5E12 -33.21 9.88 -9.44 -2.11 0
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25540 626305 1 ON2C19H22 AB2C19D22 17.0 1.48 -8.33 0.38 0
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25541 626306 1 SN2O2H10C16 AB2C2D10E16 21.83 2.08 -9.01 -1.46 0
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25542 626307 1 O2N6C15H16 A2B6C15D16 146.1 4.0 -8.11 -1.59 0
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25543 626308 1 ClSN2O2H11C13 ABC2D2E11F13 -22.73 2.56 -8.94 -0.69 0
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25544 626309 1 Cl2N2O2H8C13 A2B2C2D8E13 52.92 6.19 -9.6 -1.6 0
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25545 626310 1 PSO3C14H15 ABC3D14E15 -138.67 6.11 -8.73 -0.24 0
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25546 626311 2 O2H7C9 A2B7C9 -81.62 2.26 -8.85 -0.32 0