List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
66451 46504595 1 N5O5H19C23 A5B5C19D23 -59.94 3.88 -8.04 -1.78 0
66452 46504597 1 ClO4N5H16C22 AB4C5D16E22 -33.19 5.02 -8.65 -1.71 0
66453 46504598 1 ClFO3N5H13C21 ABC3D5E13F21 -40.6 4.39 -9.05 -1.82 0
66454 46504600 1 N5O5C23H23 A5B5C23D23 -114.6 6.0 -8.99 -1.73 0
66455 46504602 1 O3N5H17C19 A3B5C17D19 -14.98 5.59 -8.98 -1.64 0
66456 46504607 1 O3N4C27H32 A3B4C27D32 -78.5 8.83 -8.49 -0.54 0
66457 46504608 1 FO3N4H27C28 AB3C4D27E28 -86.33 10.91 -8.57 -0.71 0
66458 46504610 1 N4O5C29H30 A4B5C29D30 -103.91 7.71 -8.29 -0.69 0
66459 46504614 1 N4O5H28C29 A4B5C28D29 -101.89 7.66 -8.27 -0.69 0
66460 46504617 1 O3N5C31H33 A3B5C31D33 -25.93 8.33 -8.17 -0.72 0
66461 46504618 1 O3N4C33H36 A3B4C33D36 -46.14 7.97 -8.5 -0.58 0
66462 46504620 4 NOC6H7 ABC6D7 -98.29 4.37 -8.4 -0.56 0
66463 46504621 1 O3N5C28H37 A3B5C28D37 -70.97 4.07 -8.38 -0.58 0
66464 46504622 1 O3N4C28H34 A3B4C28D34 -79.93 9.58 -8.52 -0.53 0
66465 46504624 1 N4O5H26C28 A4B5C26D28 -93.24 9.93 -8.28 -0.69 0
66466 46504626 1 N5O5C33H35 A5B5C33D35 -78.86 6.13 -8.38 -0.64 0
66467 46504627 1 N4O4C29H30 A4B4C29D30 -74.33 8.7 -8.33 -0.6 0
66468 46504632 1 N3O7H25C27 A3B7C25D27 -168.86 7.87 -7.95 -0.86 0
66469 46504633 1 ClN3O6H22C26 AB3C6D22E26 -142.44 9.45 -8.53 -0.84 0
66470 46504635 1 N3O8H27C28 A3B8C27D28 -204.15 5.55 -8.52 -0.91 0
66471 46504637 1 FN4O5H27C29 AB4C5D27E29 -131.28 4.17 -8.89 -0.81 0
66472 46504638 1 N3O5C31H31 A3B5C31D31 -112.38 4.02 -8.95 -0.84 0
66473 46504639 1 N3O6C24H25 A3B6C24D25 -172.1 6.26 -9.06 -0.91 0
66474 46504642 1 BrON3C23H24 ABC3D23E24 29.24 1.46 -8.3 -1.02 0
66475 46504644 2 N2O2C11H12 A2B2C11D12 -33.91 5.59 -8.02 -1.4 0
66476 46504647 1 N3O3C22H23 A3B3C22D23 -53.05 2.01 -7.92 -0.65 0
66477 46504648 1 N4O4C19H20 A4B4C19D20 -14.0 4.76 -8.18 -1.92 0
66478 46504651 1 OSN3C22H25 ABC3D22E25 17.62 1.82 -7.78 -0.75 0
66479 46504655 1 N4O5H20C24 A4B5C20D24 -19.3 6.83 -8.37 -1.35 0
66480 46504657 1 FON3C23H24 ABC3D23E24 -39.16 2.13 -7.94 -0.64 0
66481 46504658 1 ON3C27H33 AB3C27D33 -15.9 2.65 -7.86 -0.3 0
66482 46504659 1 N3O4C26H31 A3B4C26D31 -104.02 3.79 -7.89 -0.38 0
66483 46504660 1 ON3C27H33 AB3C27D33 -18.79 3.19 -7.95 -0.38 0
66484 46504661 1 ClON3C23H24 ABC3D23E24 -0.17 2.49 -7.89 -0.71 0
66485 46504662 1 ClFON3C23H23 ABCD3E23F23 -47.6 2.06 -7.98 -0.93 0
66486 46504663 1 O2N3C21H23 A2B3C21D23 -20.6 1.32 -7.95 -0.61 0
66487 46504666 1 ClO3N4C23H23 AB3C4D23E23 -1.52 5.55 -8.06 -1.99 0
66488 46504667 1 N3O3C25H29 A3B3C25D29 -70.53 4.7 -7.91 -0.41 0
66489 46504672 1 N3O4C29H37 A3B4C29D37 -126.06 4.28 -7.9 -0.34 0
66490 46504674 1 O2N3C30H37 A2B3C30D37 -43.28 4.2 -7.8 -0.64 0
66491 46504676 1 O2N3C27H31 A2B3C27D31 -26.3 5.16 -7.82 -0.6 0
66492 46504678 1 FNOH12C16 ABCD12E16 -29.01 1.13 -8.82 -1.16 0
66493 46504679 1 FNO2H12C16 ABC2D12E16 -60.64 1.6 -8.7 -1.16 0
66494 46504680 1 FNOH16C18 ABCD16E18 -37.04 0.5 -8.93 -1.0 0
66495 46504683 1 FNO2H14C17 ABC2D14E17 -64.43 1.93 -8.8 -0.86 0
66496 46504684 1 FNO3H14C17 ABC3D14E17 -96.13 1.94 -8.41 -1.25 0
66497 46504687 1 BrFNOH9C15 ABCDE9F15 -16.55 2.39 -9.07 -1.44 0
66498 46504689 1 FNOH14C17 ABCD14E17 -31.81 0.73 -8.93 -1.01 0
66499 46504691 1 FNOH10C15 ABCD10E15 -18.57 0.66 -8.93 -1.24 0
66500 46504693 1 FNOCl2H8C15 ABCD2E8F15 -35.71 0.48 -9.02 -1.14 0
66501 46504695 1 BrNOH18C19 ABCD18E19 7.12 0.67 -8.95 -1.01 0
66502 46504696 1 BrNOH16C18 ABCD16E18 12.02 0.52 -8.96 -1.02 0
66503 46504697 1 BrClNOH9C15 ABCDE9F15 20.76 1.24 -9.02 -1.33 0
66504 46504698 1 BrNO2H14C17 ABC2D14E17 -18.03 3.06 -8.7 -1.1 0
66505 46504699 1 BrNO2H14C17 ABC2D14E17 -16.43 1.83 -8.85 -1.0 0
66506 46504703 1 BrNO3H14C17 ABC3D14E17 -46.89 2.07 -8.41 -1.28 0
66507 46504704 1 NOBr2H9C15 ABC2D9E15 32.68 2.26 -9.09 -1.43 0
66508 46504705 1 BrClNOH9C15 ABCDE9F15 20.5 2.16 -9.06 -1.43 0
66509 46504708 1 N3O4C22H23 A3B4C22D23 -117.1 2.87 -8.61 -0.56 0
66510 46504710 1 BrSN2F3O4H18C20 ABC2D3E4F18G20 -280.4 10.68 -9.18 -1.03 0
66511 46504711 1 BrClSN3O4C23H25 ABCD3E4F23G25 -116.0 9.69 -8.74 -0.82 0
66512 46504712 1 BrSN2O6C22H23 ABC2D6E22F23 -187.58 8.17 -8.59 -0.85 0
66513 46504713 1 BrSN2O4C21H27 ABC2D4E21F27 -155.99 10.07 -9.08 -0.9 0
66514 46504714 1 BrSN2O4C23H25 ABC2D4E23F25 -135.5 12.35 -8.68 -0.94 0
66515 46504716 1 BrClSN2O4C21H22 ABCD2E4F21G22 -136.39 10.16 -9.12 -0.96 0
66516 46504717 1 BrSN2O4C20H27 ABC2D4E20F27 -169.29 6.24 -8.97 -0.78 0
66517 46504719 1 BrSN2O4C21H23 ABC2D4E21F23 -121.77 6.86 -8.84 -0.83 0
66518 46504720 1 BrSN2O4C21H23 ABC2D4E21F23 -130.13 9.71 -8.7 -0.95 0
66519 46504727 1 BrClSN3O4C23H25 ABCD3E4F23G25 -122.65 9.17 -8.54 -0.91 0
66520 46504728 1 BrSN3O4C25H30 ABC3D4E25F30 -130.75 7.42 -8.44 -0.85 0
66521 46504731 1 BrSN2O4C16H21 ABC2D4E16F21 -158.03 6.41 -8.99 -0.81 0
66522 46504732 1 SBr2N2O4C20H20 AB2C2D4E20F20 -128.69 8.27 -8.83 -0.87 0
66523 46504733 1 BrClSN2O4C20H20 ABCD2E4F20G20 -132.68 12.07 -8.73 -0.98 0
66524 46504734 1 BrSN2O4C18H25 ABC2D4E18F25 -168.25 7.74 -8.98 -0.8 0
66525 46504735 1 BrSN2O4C24H25 ABC2D4E24F25 -106.12 6.97 -9.04 -0.78 0
66526 46504736 1 BrSN3O5C25H28 ABC3D5E25F28 -157.83 11.62 -8.62 -0.91 0
66527 46504737 1 BrSN3O4C24H28 ABC3D4E24F28 -115.35 11.58 -8.93 -0.92 0
66528 46504738 1 BrSN2O5C21H21 ABC2D5E21F21 -158.93 13.72 -8.88 -1.03 0
66529 46504739 1 BrSN4O4C22H25 ABC4D4E22F25 -106.8 11.35 -8.46 -1.03 0
66530 46504744 1 BrSN3O4C25H30 ABC3D4E25F30 -129.03 9.25 -8.91 -0.9 0
66531 46504746 1 BrSN2F3O4H18C20 ABC2D3E4F18G20 -299.71 7.19 -8.95 -0.81 0
66532 46504748 1 BrClSN2O5C20H20 ABCD2E5F20G20 -165.51 3.53 -8.6 -1.09 0
66533 46504750 1 BrSN2O5C18H25 ABC2D5E18F25 -200.74 7.75 -9.02 -0.84 0
66534 46504751 1 BrSN3O5C24H28 ABC3D5E24F28 -148.09 5.95 -8.18 -0.79 0
66535 46504752 1 BrSN2O5C21H23 ABC2D5E21F23 -164.0 9.97 -8.47 -0.82 0
66536 46504756 1 SBr2N2O4C20H20 AB2C2D4E20F20 -124.19 13.19 -8.96 -1.08 0
66537 46504757 1 BrFSN3O4C23H25 ABCD3E4F23G25 -156.03 7.98 -9.02 -0.82 0
66538 46504758 1 BrSN2O4C21H31 ABC2D4E21F31 -182.35 6.44 -8.98 -0.79 0
66539 46504759 1 BrClFSN2O4H17C19 ABCDE2F4G17H19 -172.33 11.31 -8.87 -1.02 0
66540 46504760 1 BrSN2F3O5H18C20 ABC2D3E5F18G20 -322.88 3.66 -9.24 -1.18 0
66541 46504761 1 BrSN3O4C25H30 ABC3D4E25F30 -128.52 6.45 -8.38 -0.81 0
66542 46504762 1 BrSN3O4C24H30 ABC3D4E24F30 -139.01 9.31 -7.58 -1.0 0
66543 46504763 1 BrSN2O4C19H25 ABC2D4E19F25 -161.66 5.68 -8.97 -0.78 0
66544 46504764 1 BrSN2O4C20H21 ABC2D4E20F21 -128.76 7.79 -8.78 -0.88 0
66545 46504765 1 BrClSN2O4H18C19 ABCD2E4F18G19 -131.58 14.79 -8.71 -1.18 0
66546 46504767 1 BrSN2O5C17H21 ABC2D5E17F21 -180.97 8.23 -9.06 -0.82 0
66547 46504770 1 BrSN2O4C17H23 ABC2D4E17F23 -162.7 6.64 -8.98 -0.79 0
66548 46504772 1 BrSN3O4C24H30 ABC3D4E24F30 -125.87 12.79 -7.86 -0.91 0
66549 46504777 1 BrClSN2O4C20H20 ABCD2E4F20G20 -131.46 14.29 -9.13 -1.11 0
66550 46504780 1 BrSN2O5C19H21 ABC2D5E19F21 -145.85 8.43 -8.05 -0.73 0