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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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441403 135234536 1 NPO4C16H22 ABC4D16E22 -158.12 7.71 -8.64 -0.87 0
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441404 135234537 1 NO2C13H25 AB2C13D25 -95.41 2.33 -8.74 2.0 0
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441405 135234540 4 HN3C5 AB3C5 390.77 0.75 -10.71 -3.46 0
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441406 135234542 1 ON9H23C30 AB9C23D30 209.59 3.34 -8.8 -2.47 0
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441407 135234544 1 FSO2N8H23C31 ABC2D8E23F31 122.59 8.45 -8.92 -2.51 0
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441408 135234546 1 ClO2N4H15C21 AB2C4D15E21 41.47 7.84 -9.23 -1.23 0
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441409 135234550 2 NOC9H9 ABC9D9 -6.79 4.44 -8.67 -0.78 0
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441410 135234552 1 N2O3C16H18 A2B3C16D18 -87.96 5.35 -8.9 -1.16 0
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441411 135234565 1 NH29C36 AB29C36 151.01 1.58 -8.08 -0.78 0
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441412 135234567 1 N2Cl3H21C40 A2B3C21D40 135.85 5.15 -8.24 -1.2 0
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441413 135234569 1 ClNO2C10H12 ABC2D10E12 -81.18 5.77 -8.47 -0.21 0
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441414 135234577 3 FOH5C6 ABC5D6 -238.79 7.41 -9.34 -1.14 0
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441415 135234578 1 N3O3C22H23 A3B3C22D23 -12.96 8.44 -8.77 -0.34 0
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441416 135234579 1 NO3C16H17 AB3C16D17 -95.13 1.99 -9.23 -0.25 0
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441417 135234581 1 N2O5C25H32 A2B5C25D32 -147.78 3.35 -8.93 -0.69 0
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441418 135234583 1 NO2C19H21 AB2C19D21 -49.09 3.85 -8.68 -0.69 1
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441419 135234585 1 N2O4C20H31 A2B4C20D31 -172.18 6.3 0.0 0.0 0
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441420 135234589 1 NS2O10H21C26 AB2C10D21E26 -319.91 13.27 -9.43 -2.43 0
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441421 135234591 2 NC8H12 AB8C12 2.77 0.92 -8.2 0.18 0
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441422 135234593 1 FON5C24H36 ABC5D24E36 -51.06 1.93 -8.45 -0.11 0
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441423 135234596 1 S2N3O11H27C32 A2B3C11D27E32 -328.05 12.78 -9.33 -2.38 0
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441424 135234609 1 SO2N6C25H26 AB2C6D25E26 30.25 7.2 -8.03 -0.57 0
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441425 135234618 1 O2S2N5C26H27 A2B2C5D26E27 7.34 7.64 -7.92 -1.38 0
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441426 135234639 1 ClN2F3O3H28C30 AB2C3D3E28F30 -208.07 6.68 -8.46 -1.2 0
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441427 135234640 1 F2N2O4C31H32 A2B2C4D31E32 -197.47 9.26 -8.19 -0.96 0
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441428 135234644 1 N3C19H25 A3B19C25 51.24 1.77 -8.32 -0.5 0
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441429 135234645 1 SO3N5C26H27 AB3C5D26E27 -32.76 5.1 -8.14 -1.13 0
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441430 135234653 1 O2F3N4H23C26 A2B3C4D23E26 -125.4 2.7 -8.3 -2.14 0
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441431 135234659 1 BrO2N5C15H20 AB2C5D15E20 -58.91 2.12 -8.49 -0.46 0
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441432 135234667 1 FO2N5H24C26 AB2C5D24E26 -0.49 2.73 -8.54 -0.64 0
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441433 135234672 3 NC5H9 AB5C9 21.45 2.59 -8.0 0.1 0
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441434 135234673 1 N3C16H21 A3B16C21 86.78 4.23 -8.33 0.18 0
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441435 135234674 1 S5C12H36 A5B12C36 45.86 10.62 -4.91 0.55 0
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441436 135234675 1 ClF2N2O2H25C28 AB2C2D2E25F28 -112.94 1.78 -8.25 -1.3 0
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441437 135234676 1 FOSN4C26H37 ABCD4E26F37 -62.71 5.31 -8.15 -0.38 0
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441438 135234677 2 S2C5H15 A2B5C15 19.41 3.54 -6.35 0.64 0
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441439 135234678 1 N3C18H23 A3B18C23 58.86 4.8 -8.39 0.04 0
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441440 135234681 1 O2N7C29H39 A2B7C29D39 -3.93 4.52 -8.13 -0.4 0
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441441 135234682 1 ON7C22H33 AB7C22D33 28.39 2.49 -8.14 0.04 0
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441442 135234683 1 O2N5H27C28 A2B5C27D28 63.13 3.61 -8.41 -0.59 0
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441443 135234684 1 OSN5H23C26 ABC5D23E26 125.33 5.22 -8.28 -0.4 0
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441444 135234690 1 O2F3N6H23C27 A2B3C6D23E27 -89.69 5.86 -8.28 -1.12 0
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441445 135234693 2 NSC5H14 ABC5D14 42.76 3.4 -6.87 0.86 0
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441446 135234694 1 SO3N5C25H25 AB3C5D25E25 9.52 4.74 -8.25 -0.34 0
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441447 135234697 1 O3N5C28H29 A3B5C28D29 1.06 3.49 -8.39 -0.49 0
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441448 135234700 1 O3N6C26H26 A3B6C26D26 13.77 3.46 -8.59 -0.73 0
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441449 135234701 2 ON3C16H18 AB3C16D18 33.18 3.38 -8.32 -0.43 0
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441450 135234703 1 FO2N6H23C26 AB2C6D23E26 25.58 6.01 -8.66 -0.8 0
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441451 135234705 2 ON3H12C13 AB3C12D13 85.74 5.92 -8.61 -0.75 0
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441452 135234706 1 O2N5H25C27 A2B5C25D27 65.22 5.19 -8.33 -0.4 0