List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
273625 103771506 1 NO3C12H23 AB3C12D23 -175.31 2.31 -9.51 1.11 0
273626 103771508 1 BrN2O2C12H17 AB2C2D12E17 -88.81 2.99 -9.87 -1.23 0
273627 103771516 1 NSCl2O2C14H19 ABC2D2E14F19 -106.99 4.3 -8.93 -0.86 0
273628 103771519 1 ClNO2C15H20 ABC2D15E20 -87.66 2.91 -9.71 -0.92 0
273629 103771520 1 NO4C16H19 AB4C16D19 -155.24 5.63 -9.78 -1.69 0
273630 103771521 1 N2O5C14H20 A2B5C14D20 -132.49 7.02 -9.94 -1.43 0
273631 103771522 1 SN2O2C16H22 AB2C2D16E22 -79.3 2.29 -9.18 -0.74 0
273632 103771523 1 NO3C16H25 AB3C16D25 -151.6 2.7 -8.97 0.39 0
273633 103771524 1 NO3C16H25 AB3C16D25 -147.82 4.93 -8.84 0.35 0
273634 103771525 1 FNO3C14H20 ABC3D14E20 -173.05 2.81 -9.28 -0.23 0
273635 103771526 1 NO4C16H25 AB4C16D25 -172.81 1.12 -8.56 0.08 0
273636 103771528 1 ClNSO2C11H16 ABCD2E11F16 -87.59 1.69 -9.75 -1.2 0
273637 103771529 1 NSO2C16H25 ABC2D16E25 -102.18 2.51 -8.44 0.03 0
273638 103771530 1 BrNSO2C11H16 ABCD2E11F16 -76.08 1.74 -9.77 -1.22 0
273639 103771531 1 NO3C16H25 AB3C16D25 -145.01 2.34 -9.09 -0.12 0
273640 103771532 1 NF2O3C14H19 AB2C3D14E19 -237.4 0.63 -9.77 -0.81 0
273641 103771533 1 SN2O3C15H20 AB2C3D15E20 -131.73 3.29 -9.01 -1.09 0
273642 103771534 1 NO4C16H25 AB4C16D25 -175.04 1.95 -8.46 -0.06 0
273643 103771535 1 N2O3C16H24 A2B3C16D24 -143.45 4.91 -9.59 -0.67 0
273644 103771541 1 N2O3C11H18 A2B3C11D18 -100.04 0.22 -9.87 -0.44 0
273645 103771553 1 N2S2O4C13H22 A2B2C4D13E22 -158.45 6.28 -9.73 -1.29 0
273646 103771555 1 N3O4C14H25 A3B4C14D25 -217.18 2.23 -9.98 0.25 0
273647 103771556 1 N2O3C16H20 A2B3C16D20 -83.45 2.53 -9.54 -1.35 0
273648 103771560 1 NO2C17H25 AB2C17D25 -110.78 3.85 -9.42 -0.18 0
273649 103771564 1 NSO2C15H25 ABC2D15E25 -116.36 2.4 -9.12 -0.55 0
273650 103771565 1 ClNSO2C15H18 ABCD2E15F18 -80.49 3.85 -9.02 -1.28 0
273651 103771571 2 NOSC7H9 ABCD7E9 -48.24 3.89 -9.4 -1.47 0
273652 103771576 1 N3O4C14H23 A3B4C14D23 -154.73 1.93 -9.75 -1.1 0
273653 103771593 1 ClSO2N3C12H18 ABC2D3E12F18 -75.25 2.68 -9.1 -1.34 0
273654 103771594 2 NO2C7H9 AB2C7D9 -93.25 2.83 -9.59 -1.15 0
273655 103771597 1 N3O3C14H19 A3B3C14D19 -69.87 5.31 -10.04 -1.17 0
273656 103771601 1 NO2C10H21 AB2C10D21 -136.19 2.5 -9.66 1.26 0
273657 103771602 1 FNO2C16H22 ABC2D16E22 -125.53 2.07 -9.73 -0.3 0
273658 103771603 1 N2O3C13H20 A2B3C13D20 -134.87 3.8 -9.36 -0.93 0
273659 103771608 1 NCl2O3C14H19 AB2C3D14E19 -144.43 1.23 -9.43 -0.78 0
273660 103771614 1 ClINO3C14H19 ABCD3E14F19 -118.65 1.72 -9.35 -1.41 0
273661 103771616 1 N2O3C15H28 A2B3C15D28 -184.54 4.25 -9.83 0.94 0
273662 103771617 1 NO3C12H25 AB3C12D25 -178.58 2.68 -9.65 1.25 0
273663 103771631 1 BrClNO2C13H17 ABCD2E13F17 -101.07 3.04 -9.68 -0.94 0
273664 103771633 1 NSO2C10H13 ABC2D10E13 -55.85 2.22 -9.26 -0.44 0
273665 103771643 1 SN2O3C14H22 AB2C3D14E22 -134.7 6.36 -9.45 -0.61 0
273666 103771646 2 NOSC5H6 ABCD5E6 -36.44 5.59 -9.33 -0.64 0
273667 103771647 1 NSO3C8H11 ABC3D8E11 -108.16 2.1 -9.42 -0.58 0
273668 103771651 1 NSO2C12H17 ABC2D12E17 -67.82 2.79 -9.29 -0.46 0
273669 103771654 1 SN2O3C13H14 AB2C3D13E14 -86.42 7.66 -8.97 -0.63 0
273670 103771655 1 NO2S2C13H19 AB2C2D13E19 -81.81 3.48 -8.52 -0.43 0
273671 103771658 1 INSCl2O2H10C13 ABCD2E2F10G13 -30.62 3.55 -9.41 -1.53 0
273672 103771661 1 BrNSO2C16H16 ABCD2E16F16 -29.78 3.22 -9.31 -0.51 0
273673 103771662 1 BrNSO2H14C15 ABCD2E14F15 -19.46 2.79 -9.34 -0.58 0
273674 103771670 1 SN2O3C13H14 AB2C3D13E14 -19.62 4.03 -9.32 -0.61 0
273675 103771675 1 FNSO2H14C15 ABCD2E14F15 -70.01 2.64 -9.37 -0.69 0
273676 103771680 1 N2O2S2H14C15 A2B2C2D14E15 -6.39 6.39 -9.2 -0.93 0
273677 103771699 1 ClNSO3C15H16 ABCD3E15F16 -91.09 6.05 -9.2 -0.66 0
273678 103771713 2 NSO2C6H10 ABC2D6E10 -156.96 7.86 -9.52 -0.72 0
273679 103771716 1 NSO2C15H17 ABC2D15E17 -55.5 2.82 -9.31 -0.53 0
273680 103771719 1 NSO3C16H19 ABC3D16E19 -89.26 4.36 -8.9 -0.59 0
273681 103771724 1 NSCl2O2H13C15 ABC2D2E13F15 -36.7 4.75 -9.38 -0.93 0
273682 103771725 1 BrFNSO2H13C15 ABCDE2F13G15 -65.65 2.37 -9.37 -0.99 0
273683 103771727 1 FNO2S2C14H14 ABC2D2E14F14 -83.41 4.1 -8.74 -0.54 0
273684 103771730 1 FNO2S2H12C15 ABC2D2E12F15 -64.63 4.04 -9.19 -1.15 0
273685 103771732 1 SN2O2C11H12 AB2C2D11E12 -34.82 3.58 -9.33 -0.57 0
273686 103771735 1 SN2O3C14H16 AB2C3D14E16 -106.57 7.39 -8.99 -0.74 0
273687 103771736 1 NSO2C14H21 ABC2D14E21 -87.39 5.21 -9.3 -0.45 0
273688 103771739 1 ClSN2O2H11C12 ABC2D2E11F12 -28.73 2.78 -9.4 -1.02 0
273689 103771740 1 NSCl2O2H13C15 ABC2D2E13F15 -41.02 3.59 -9.28 -1.04 0
273690 103771746 1 NSO2C17H23 ABC2D17E23 -91.4 2.27 -9.29 -0.46 0
273691 103771750 1 SN2O2C11H18 AB2C2D11E18 -68.35 2.03 -8.81 -0.48 0
273692 103771752 1 BrSN2O2H11C12 ABC2D2E11F12 -32.83 1.69 -9.29 -1.1 0
273693 103771754 1 BrNSO3H12C13 ABCD3E12F13 -46.39 2.16 -9.3 -0.94 0
273694 103771777 1 N2O3C14H20 A2B3C14D20 -134.15 6.77 -9.34 -0.56 0
273695 103771779 1 O2N3C11H17 A2B3C11D17 -62.13 6.7 -9.47 -0.16 0
273696 103771786 1 N3O4C14H19 A3B4C14D19 -93.44 5.8 -9.54 -1.38 0
273697 103771792 2 NOSC6H10 ABCD6E10 -83.65 4.4 -8.48 -0.85 0
273698 103771797 1 ClNO2H12C14 ABC2D12E14 -50.46 0.82 -9.1 -0.36 0
273699 103771798 1 ClON2H13C16 ABC2D13E16 3.35 3.56 -8.66 -0.58 0