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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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335584 127254446 1 ClSN3O3H12C16 ABC3D3E12F16 -22.29 2.76 -8.88 -1.38 0
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335585 127254447 1 SO2N4C17H18 AB2C4D17E18 -11.73 9.91 -8.29 -1.05 0
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335586 127254448 1 OSN3C14H19 ABC3D14E19 -11.15 2.82 -8.86 -0.31 0
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335587 127254449 1 O3N4H20C23 A3B4C20D23 -34.07 2.49 -8.84 -1.21 0
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335588 127254450 1 F3O3N4H19C22 A3B3C4D19E22 -198.02 5.95 -8.51 -0.85 0
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335589 127254451 1 BrClNO3H25C31 ABCD3E25F31 -23.34 4.95 -8.53 -1.48 0
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335590 127254452 1 N4O5C26H28 A4B5C26D28 -179.91 4.16 -8.83 -0.04 0
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335591 127254453 1 OS2N3C11H11 AB2C3D11E11 37.8 5.94 -8.64 -1.27 0
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335592 127254454 1 SO2N4C19H22 AB2C4D19E22 -19.85 6.07 -8.54 -0.89 0
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335593 127254455 1 ON4C21H24 AB4C21D24 19.3 0.6 -8.8 -0.64 0
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335594 127254456 1 ClON5C22H22 ABC5D22E22 53.03 7.72 -8.47 -1.37 0
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335595 127254457 1 O2N3H15C16 A2B3C15D16 1.46 5.97 -8.93 -1.33 0
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335596 127254458 1 O3N4C26H34 A3B4C26D34 -71.22 5.07 -8.2 -0.14 0
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335597 127254459 1 OSN3C10H15 ABC3D10E15 -12.86 5.53 -8.64 0.21 0
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335598 127254460 1 OF3N5C16H20 AB3C5D16E20 -134.49 8.95 -8.79 -0.77 0
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335599 127254461 1 O4N5C24H25 A4B5C24D25 -81.91 2.07 -9.12 -0.46 0
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335600 127254462 1 O3N5C23H25 A3B5C23D25 -70.2 6.99 -9.05 -0.61 0
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335601 127254463 1 O2N3C19H19 A2B3C19D19 2.31 2.46 -8.91 -0.74 0
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335602 127254464 1 OSN4H20C21 ABC4D20E21 55.7 6.82 -8.28 -1.17 0
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335603 127254465 2 NO3C12H14 AB3C12D14 -159.22 2.81 -8.43 -0.77 0
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335604 127254466 1 OSN5C16H25 ABC5D16E25 14.52 9.8 -9.51 -1.41 0
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335605 127254467 1 O2N7C17H23 A2B7C17D23 22.37 2.58 -9.2 -0.83 0
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335606 127254468 1 N3O5C27H31 A3B5C27D31 -149.36 5.59 -8.85 -1.0 0
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335607 127254469 1 Cl2N3O5C15H17 A2B3C5D15E17 -88.19 13.11 -9.07 -1.8 1
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335608 127254470 1 ClN3O5C15H17 AB3C5D15E17 -85.17 11.58 0.0 0.0 0
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335609 127254471 1 N3O5C24H25 A3B5C24D25 -98.89 3.96 -8.74 -0.5 0
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335610 127254472 1 OSN2C21H32 ABC2D21E32 -58.17 4.67 -8.58 0.63 0
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335611 127254473 1 FNO5H26C35 ABC5D26E35 -35.85 6.69 -8.21 -1.25 0
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335612 127254474 1 N4O5C24H26 A4B5C24D26 -55.21 5.18 -8.17 -1.06 0
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335613 127254475 1 S2O3N4C19H20 A2B3C4D19E20 -18.51 6.93 -8.6 -1.52 0
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335614 127254476 1 SN4O6C25H26 AB4C6D25E26 -155.95 8.38 -8.84 -0.58 0
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335615 127254477 1 O2N5C16H27 A2B5C16D27 -51.99 8.72 -9.86 -0.32 0
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335616 127254478 1 N4O6H14C15 A4B6C14D15 -207.68 6.19 -8.76 -0.84 0
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335617 127254479 1 ON7C15H19 AB7C15D19 67.58 6.89 -9.43 -0.68 0
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335618 127254480 1 OSN4C19H22 ABC4D19E22 32.42 6.88 -8.23 -0.8 0
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335619 127254481 1 ON7C18H23 AB7C18D23 76.92 8.65 -9.54 -0.37 0
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335620 127254482 1 ON5C16H23 AB5C16D23 10.86 4.73 -8.72 0.05 0
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335621 127254483 1 O3N6H18C19 A3B6C18D19 7.25 7.99 -8.58 -0.82 0
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335622 127254484 1 O3N5C20H23 A3B5C20D23 -19.59 5.8 -8.7 -0.29 0
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335623 127254485 1 OSN3C19H21 ABC3D19E21 20.75 5.86 -8.59 -0.76 0
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335624 127254486 1 OSN3C19H21 ABC3D19E21 9.94 3.18 -8.51 -0.47 0
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335625 127254487 1 ON6C16H18 AB6C16D18 71.6 4.87 -9.09 -1.07 0
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335626 127254488 1 O3N5C24H27 A3B5C24D27 -55.74 2.94 -8.79 -1.07 0
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335627 127254489 1 N3O3C21H23 A3B3C21D23 -66.47 4.53 -8.11 0.04 0
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335628 127254490 1 SO2N7C17H17 AB2C7D17E17 70.01 9.46 -8.18 -0.85 0
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335629 127254491 1 F2N3O4C21H21 A2B3C4D21E21 -211.76 5.27 -9.4 -0.59 0
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335630 127254492 1 BrN2O3H23C33 AB2C3D23E33 85.15 2.25 -8.72 -0.79 0
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335631 127254493 1 ON7C13H21 AB7C13D21 48.76 8.69 -9.38 -0.85 0
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335632 127254494 1 ON4H16C18 AB4C16D18 63.08 5.65 -8.43 -0.77 0
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335633 127254495 1 O3N4C25H26 A3B4C25D26 -25.62 13.08 -6.99 -1.86 0
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335634 127254496 1 O2N5C10H19 A2B5C10D19 -27.8 7.8 -10.42 -0.26 0
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335635 127254497 1 N5O5H15C19 A5B5C15D19 -126.14 9.33 -8.96 -1.14 0
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335636 127254498 1 N2O5H32C41 A2B5C32D41 -41.1 3.75 -8.34 -0.41 0
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335637 127254499 1 ON3C15H19 AB3C15D19 -0.51 5.78 -8.86 -0.38 0
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335638 127254500 1 ClNSO4H12C15 ABCD4E12F15 -119.9 9.39 -8.81 -1.09 0
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335639 127254501 1 BrClFN2O3H21C33 ABCD2E3F21G33 -27.59 1.12 -8.81 -1.04 0
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335640 127254502 1 O3N5H13C15 A3B5C13D15 -5.02 3.73 -8.87 -1.35 0
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335641 127254503 1 ClON3C15H18 ABC3D15E18 -4.17 5.16 -8.83 -0.66 0
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335642 127254504 1 SN2O3H22C23 AB2C3D22E23 -57.86 4.01 -8.82 -1.46 0
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335643 127254505 1 FON3C21H24 ABC3D21E24 -44.91 8.84 -8.68 -0.37 0
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335644 127254506 1 N3O7C24H27 A3B7C24D27 -238.46 7.35 -9.05 -0.65 0
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335645 127254507 2 ON2C8H9 AB2C8D9 -24.13 3.31 -8.8 -0.51 0
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335646 127254508 1 FO3N4H19C21 AB3C4D19E21 -106.29 1.58 -9.2 -0.89 0
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335647 127254509 1 O3N4C20H28 A3B4C20D28 -110.48 3.37 -8.82 0.24 0
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335648 127254510 1 O3N5H11C17 A3B5C11D17 -4.45 11.44 -8.68 -1.27 0
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335649 127254511 1 SO3N4C19H22 AB3C4D19E22 -57.5 4.53 -8.74 -0.15 0
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335650 127254512 1 ON5C18H21 AB5C18D21 38.23 4.7 -8.49 -0.66 0
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335651 127254513 1 FSO2N4H19C22 ABC2D4E19F22 -24.84 7.44 -8.41 -1.09 0
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335652 127254514 2 NO2C11H12 AB2C11D12 -135.36 4.09 -8.96 0.14 0
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335653 127254515 1 OSN7C21H23 ABC7D21E23 98.42 7.4 -9.48 -1.53 0
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335654 127254516 1 SO3N4H16C17 AB3C4D16E17 -4.42 5.26 -8.91 -1.4 0
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335655 127254517 2 ON2C12H15 AB2C12D15 -41.28 4.3 -8.9 -0.14 0
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335656 127254518 1 S2O3N6C14H14 A2B3C6D14E14 4.71 11.88 -9.6 -1.85 0
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335657 127254519 1 SN4O4C13H14 AB4C4D13E14 -72.35 2.84 -8.79 -1.29 0
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335658 127254520 1 O2N5C23H25 A2B5C23D25 6.83 5.49 -8.84 -0.63 0
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335659 127254521 1 N5O5H21C23 A5B5C21D23 -87.6 4.73 -8.49 -1.01 0
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335660 127254522 1 O3N4C27H32 A3B4C27D32 -50.17 12.63 -6.94 -1.75 0
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335661 127254523 1 ClN3O6H24C30 AB3C6D24E30 -134.34 6.34 -8.44 -0.49 0
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335662 127254524 4 NOC7H7 ABC7D7 -99.49 7.71 -8.22 -0.65 0
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335663 127254525 1 SN3O3H15C22 AB3C3D15E22 -7.14 3.25 -8.88 -1.56 0
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335664 127254526 1 O4N5H21C26 A4B5C21D26 -65.16 4.27 -8.53 -1.11 0
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335665 127254527 1 FNO6H28C36 ABC6D28E36 -77.14 6.96 -8.77 -1.21 0
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335666 127254528 1 O3N4C25H32 A3B4C25D32 -70.86 4.91 -8.24 -0.25 0
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335667 127254529 1 ON4C13H18 AB4C13D18 2.06 3.93 -8.65 0.07 0
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335668 127254530 1 O2N7C17H19 A2B7C17D19 18.75 4.91 -9.25 -1.27 0
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335669 127254531 1 N4O5C27H28 A4B5C27D28 -125.94 4.82 -8.63 -0.53 0
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335670 127254532 1 O3N4C19H26 A3B4C19D26 -107.12 4.56 -8.87 0.18 0
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335671 127254533 1 ON4C13H18 AB4C13D18 9.24 2.59 -8.83 0.39 0
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335672 127254534 1 FOSN6H9C11 ABCD6E9F11 42.9 3.52 -9.59 -1.22 0
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335674 127254536 1 FSN2O3C15H17 ABC2D3E15F17 -150.3 6.64 -8.4 -1.26 0
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335675 127254537 1 N4O4H18C19 A4B4C18D19 -105.82 7.0 -9.1 -1.21 0
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335676 127254538 1 BrClN2O4H20C28 ABC2D4E20F28 -56.24 4.4 -8.7 -0.79 0
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335677 127254539 1 N3O4C19H25 A3B4C19D25 -152.05 2.62 -9.33 -0.02 0
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335678 127254540 2 ON3C9H11 AB3C9D11 32.45 6.65 -8.62 -0.45 0
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335679 127254541 1 F3N3O5C22H22 A3B3C5D22E22 -332.95 3.23 -9.23 -0.56 0
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335680 127254542 1 SN3O4C21H29 AB3C4D21E29 -137.43 7.97 -8.79 -0.23 0
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335681 127254543 1 N3O5C27H29 A3B5C27D29 -146.77 2.09 -8.9 -1.06 0
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335682 127254544 1 ON4C22H30 AB4C22D30 -6.64 3.36 -8.73 -0.26 0
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335683 127254545 1 N3O5H19C22 A3B5C19D22 -70.03 4.27 -8.22 -1.31 0
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335684 127254546 1 O3N4C20H24 A3B4C20D24 -61.48 6.94 -8.7 -0.89 0