List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
312561 126606523 1 NO4C8H17 AB4C8D17 -191.99 3.94 -9.18 1.61 0
312562 126606525 1 ClF3O3N6C26H26 AB3C3D6E26F26 -188.96 1.81 -9.04 -1.27 0
312563 126606528 1 SN3O3C11H21 AB3C3D11E21 -116.2 3.44 -9.07 -0.11 0
312564 126606530 1 NC11H23 AB11C23 -41.07 1.64 -8.9 3.09 0
312565 126606533 1 SN3O4C14H27 AB3C4D14E27 -190.76 6.2 -8.65 0.19 0
312566 126606535 1 ClON5H22C24 ABC5D22E24 101.87 5.9 -9.6 -0.95 0
312567 126606536 1 NC11H23 AB11C23 -37.21 1.57 -8.28 2.95 0
312568 126606537 1 NOSC10H11 ABCD10E11 -9.69 4.9 -8.44 -0.72 0
312569 126606538 1 SN2O5C17H26 AB2C5D17E26 -174.25 3.52 -8.41 -0.58 0
312570 126606539 1 SN3O3C13H25 AB3C3D13E25 -127.32 4.27 -8.96 -0.02 0
312571 126606540 1 SN2O4C10H18 AB2C4D10E18 -163.35 3.66 -9.35 -0.65 0
312572 126606541 1 F3O5C33H41 A3B5C33D41 -393.83 5.5 -9.13 -1.05 0
312573 126606542 1 FSO3N4C10H19 ABC3D4E10F19 -81.37 2.81 -9.11 -0.44 0
312574 126606543 1 NO3C9H19 AB3C9D19 -153.47 2.08 -9.16 1.48 0
312575 126606547 1 SN3O4C11H23 AB3C4D11E23 -176.04 4.08 -9.05 -0.1 0
312576 126606548 1 SN3O3C9H17 AB3C3D9E17 -112.85 2.61 -9.28 -0.7 0
312577 126606549 1 SO3N5C9H15 AB3C5D9E15 -48.79 4.37 -9.48 -0.61 0
312578 126606550 1 SN3O3C13H23 AB3C3D13E23 -106.78 3.13 -9.06 -0.46 0
312579 126606551 1 SN3O3C12H23 AB3C3D12E23 -121.41 5.52 -8.66 0.12 0
312580 126606553 1 NO4C9H19 AB4C9D19 -184.04 1.83 -9.36 1.42 0
312581 126606556 1 BrOC8H13 ABC8D13 -24.28 4.27 -10.18 0.06 0
312582 126606558 1 SN3O4C14H27 AB3C4D14E27 -193.78 0.95 -9.18 -0.06 0
312583 126606561 1 ClSN3O3C11H20 ABC3D3E11F20 -105.67 1.58 -9.05 -1.0 0
312584 126606563 1 O3C20H22 A3B20C22 -74.64 4.48 -8.46 -0.39 0
312585 126606564 1 OC22H30 AB22C30 -64.44 1.77 -8.46 0.66 0
312586 126606565 1 IOC20H25 ABC20D25 -35.31 3.43 -8.49 -0.91 0
312587 126606567 1 NOC11H23 ABC11D23 -69.14 0.87 -8.49 2.15 0
312588 126606568 1 ClO3C22H23 AB3C22D23 -101.13 6.03 -8.94 -1.04 0
312589 126606638 1 PO3N9C37H38 AB3C9D37E38 65.67 9.94 -8.65 -0.81 0
312590 126606715 1 OC18H22 AB18C22 -18.47 1.75 -8.6 0.31 0
312591 126606717 1 IOH19C25 ABC19D25 65.64 3.46 -9.14 -1.31 0
312592 126606718 2 OC13H18 AB13C18 -24.46 2.65 -8.12 -0.32 0
312593 126606720 1 PO2N6C37H37 AB2C6D37E37 53.67 5.6 -8.75 -1.08 0
312594 126606721 1 OH22C26 AB22C26 54.64 1.51 -9.11 -0.02 0
312595 126606727 1 PO3N9C37H38 AB3C9D37E38 14.83 3.33 -8.42 -0.86 0
312596 126606734 2 OC11H13 AB11C13 -35.34 2.56 -8.39 -0.27 0
312597 126606745 1 O3C24H28 A3B24C28 -68.37 2.51 -8.24 -0.34 0
312598 126606746 1 O2C19H20 A2B19C20 0.83 4.25 -8.55 -0.45 0
312599 126606747 1 IO3C13H13 AB3C13D13 -77.63 2.83 -8.35 -1.09 0
312600 126606748 1 ON2C26H32 AB2C26D32 4.86 3.01 -7.94 -0.12 0
312601 126606749 1 NO3C15H17 AB3C15D17 -49.76 4.37 -8.3 -0.98 0
312602 126606750 1 NO4C18H23 AB4C18D23 -114.82 4.16 -8.39 -0.54 0
312603 126606751 1 O3H18C20 A3B18C20 -37.88 4.59 -8.62 -0.53 0
312604 126606762 1 O2H16C21 A2B16C21 -14.35 1.33 -8.48 -0.71 0
312605 126606764 1 O2H12C13 A2B12C13 18.54 5.48 -9.23 -0.87 0
312606 126606788 1 Cl2F2O2N3H27C30 A2B2C2D3E27F30 -127.07 3.72 -9.27 -0.95 0
312607 126606789 2 NO2H5C7 AB2C5D7 -102.66 3.36 -8.82 -1.9 0
312608 126606791 1 N2O4H12C13 A2B4C12D13 -133.57 3.31 -9.09 -1.48 0
312609 126606792 1 O5C14H16 A5B14C16 -171.05 2.88 -8.45 -0.49 0
312610 126606793 2 N2O3C13H16 A2B3C13D16 -221.09 6.04 -9.17 -1.0 0
312611 126606797 1 N3O7C21H27 A3B7C21D27 -185.68 7.84 -9.38 -1.3 0
312612 126606801 1 NOC19H21 ABC19D21 1.48 5.98 -8.25 -0.3 0
312613 126606823 1 OC18H22 AB18C22 -28.91 2.01 -8.97 0.42 0
312614 126606825 2 O3C10H13 A3B10C13 -180.44 3.04 -8.46 0.39 0
312615 126606826 1 NO2C12H23 AB2C12D23 -115.88 3.51 -9.64 0.13 0
312616 126606827 1 O5C18H24 A5B18C24 -145.55 5.46 -8.75 0.15 0
312617 126606828 1 O6C19H24 A6B19C24 -190.17 1.55 -8.24 0.2 0
312618 126606829 1 NSO3C32H35 ABC3D32E35 -57.85 4.7 -8.41 -0.23 0
312619 126606831 1 ClF2N4O5C35H37 AB2C4D5E35F37 -259.42 2.8 -9.0 -0.94 0
312620 126606833 1 OC18H24 AB18C24 -21.4 3.06 -9.12 0.42 0
312621 126606834 2 OC10H14 AB10C14 -96.96 3.33 -9.64 -0.08 0
312622 126606835 2 OC17H19 AB17C19 -64.27 2.15 -9.03 0.2 0
312623 126606849 1 O5C18H28 A5B18C28 -177.41 4.77 -8.74 -0.28 0
312624 126606850 2 OH6C7 AB6C7 -37.85 4.06 -8.86 -0.66 0
312625 126606907 1 ClF2N4O4C33H33 AB2C4D4E33F33 -217.14 7.39 -8.84 -0.92 0
312626 126606918 1 ClFN5O5H31C33 ABC5D5E31F33 -164.05 7.09 -8.73 -1.57 0
312627 126606919 1 O7C31H38 A7B31C38 -269.66 3.68 -8.71 0.05 0
312628 126606927 1 ClF2N4O4C32H33 AB2C4D4E32F33 -213.37 3.86 -9.11 -0.91 0
312629 126606995 1 ClF2O2N6H29C33 AB2C2D6E29F33 -56.17 8.78 -8.74 -1.01 0
312630 126606996 1 PSC13H24 ABC13D24 -42.54 4.55 0.0 0.0 0
312631 126607002 1 ClF2N4O4H31C33 AB2C4D4E31F33 -178.43 4.43 -8.52 -0.91 0
312632 126607004 1 ClF2O2N5H30C34 AB2C2D5E30F34 -72.03 3.01 -8.53 -0.94 0
312633 126607007 1 ClFO2N6C31H32 ABC2D6E31F32 -29.95 6.35 -8.59 -0.54 0
312634 126607009 1 ClFN4O4C34H38 ABC4D4E34F38 -169.14 6.78 -8.84 -0.51 0
312635 126607052 1 N2O3C14H18 A2B3C14D18 -30.92 7.07 -9.89 -0.72 0