List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
20543 |
584555 |
1 |
NSO4C15H17 |
ABC4D15E17 |
-122.12 |
5.31 |
-9.57 |
-1.57 |
0 |
|
|
20544 |
584557 |
1 |
NO2C10H11 |
AB2C10D11 |
-46.54 |
1.57 |
-8.82 |
-0.06 |
0 |
|
|
20545 |
584560 |
1 |
NS2O4C11H23 |
AB2C4D11E23 |
-211.7 |
4.0 |
-8.9 |
0.0 |
0 |
|
|
20546 |
584561 |
1 |
SiO3C26H40 |
AB3C26D40 |
-191.09 |
1.7 |
-9.36 |
-0.38 |
0 |
|
|
20547 |
584562 |
1 |
OC29H50 |
AB29C50 |
-142.48 |
2.23 |
-8.8 |
1.6 |
0 |
|
|
20548 |
584563 |
1 |
OC29H50 |
AB29C50 |
-145.26 |
2.33 |
-8.83 |
1.58 |
0 |
|
|
20549 |
584564 |
1 |
SN6O6C12H18 |
AB6C6D12E18 |
-179.28 |
4.08 |
-9.08 |
-0.88 |
0 |
|
|
20550 |
584571 |
3 |
FNO2H8C10 |
ABC2D8E10 |
-251.93 |
4.06 |
-8.82 |
-1.23 |
0 |
|
|
20551 |
584574 |
1 |
O4C11H12 |
A4B11C12 |
-140.57 |
1.65 |
-8.79 |
-0.12 |
0 |
|
|
20552 |
584579 |
5 |
CHN |
ABC |
112.66 |
6.83 |
-10.22 |
-1.6 |
0 |
|
|
20553 |
584580 |
1 |
O3C19H24 |
A3B19C24 |
-112.72 |
5.2 |
-9.91 |
-0.16 |
0 |
|
|
20554 |
584581 |
2 |
OC12H21 |
AB12C21 |
-183.68 |
2.28 |
-10.2 |
1.0 |
0 |
|
|
20555 |
584583 |
1 |
SN4C15H22 |
AB4C15D22 |
47.72 |
2.88 |
-8.35 |
-0.38 |
0 |
|
|
20556 |
584584 |
1 |
SO2N3C15H21 |
AB2C3D15E21 |
-38.41 |
4.47 |
-9.18 |
-0.43 |
0 |
|
|
20557 |
584586 |
1 |
NO2C14H19 |
AB2C14D19 |
-14.58 |
3.89 |
-9.01 |
-0.09 |
0 |
|
|
20558 |
584587 |
1 |
OC17H22 |
AB17C22 |
-1.8 |
2.41 |
-9.07 |
0.41 |
0 |
|
|
20559 |
584589 |
1 |
NOC16H25 |
ABC16D25 |
-51.07 |
3.41 |
-9.39 |
0.55 |
0 |
|
|
20560 |
584607 |
2 |
C7H12 |
A7B12 |
-49.26 |
0.05 |
-10.28 |
3.73 |
0 |
|
|
20561 |
584609 |
1 |
IC10H15 |
AB10C15 |
-18.88 |
2.54 |
-9.43 |
-0.5 |
0 |
|
|
20562 |
584616 |
1 |
OC15H26 |
AB15C26 |
-32.51 |
2.11 |
-9.17 |
1.18 |
0 |
|
|
20563 |
584617 |
1 |
O5C13H14 |
A5B13C14 |
-184.65 |
5.17 |
-9.45 |
-0.68 |
0 |
|
|
20564 |
584618 |
2 |
N2C6H9 |
A2B6C9 |
37.56 |
3.63 |
-10.07 |
0.09 |
0 |
|
|
20565 |
584619 |
1 |
OPN3C8H20 |
ABC3D8E20 |
-86.96 |
3.39 |
-8.9 |
1.0 |
0 |
|
|
20566 |
584620 |
1 |
NO2C11H19 |
AB2C11D19 |
-129.26 |
2.1 |
-10.25 |
1.04 |
0 |
|
|
20567 |
584622 |
1 |
SiO4C12H16 |
AB4C12D16 |
-182.32 |
5.05 |
-9.5 |
-0.9 |
0 |
|
|
20568 |
584633 |
1 |
ClN2O3C25H25 |
AB2C3D25E25 |
-69.33 |
7.34 |
-9.13 |
-0.36 |
0 |
|
|
20569 |
584635 |
4 |
OC5H6 |
AB5C6 |
-135.08 |
5.05 |
-8.5 |
-0.56 |
0 |
|
|
20570 |
584640 |
1 |
N2F3O3H15C20 |
A2B3C3D15E20 |
-175.42 |
6.37 |
-8.9 |
-1.1 |
0 |
|
|
20571 |
584648 |
1 |
SN2O5H14C15 |
AB2C5D14E15 |
-146.16 |
5.03 |
-9.13 |
-1.32 |
0 |
|
|
20572 |
584650 |
1 |
ClNO4H18C22 |
ABC4D18E22 |
-79.71 |
3.52 |
-8.81 |
-0.18 |
0 |
|
|
20573 |
584655 |
1 |
N2O3H14C15 |
A2B3C14D15 |
-37.45 |
5.07 |
-8.88 |
-0.71 |
0 |
|
|
20574 |
584662 |
1 |
O2N3H21C22 |
A2B3C21D22 |
21.33 |
5.2 |
-8.49 |
-0.91 |
0 |
|
|
20575 |
584663 |
1 |
O4H8C9 |
A4B8C9 |
-130.43 |
8.35 |
-10.36 |
-1.39 |
0 |
|
|
20576 |
584667 |
1 |
NSO2H15C16 |
ABC2D15E16 |
-2.44 |
4.19 |
-8.72 |
-0.83 |
0 |
|
|
20577 |
584669 |
1 |
N2F3O3C17H19 |
A2B3C3D17E19 |
-232.43 |
5.0 |
-9.35 |
-0.56 |
0 |
|
|
20578 |
584670 |
1 |
O2F3N3H12C14 |
A2B3C3D12E14 |
-163.29 |
7.08 |
-9.3 |
-0.82 |
0 |
|
|
20579 |
584685 |
2 |
O2C9H9 |
A2B9C9 |
-112.06 |
2.96 |
-9.25 |
-0.42 |
0 |
|
|
20580 |
584689 |
1 |
ClO2C11H13 |
AB2C11D13 |
-79.64 |
2.27 |
-9.25 |
-0.54 |
0 |
|
|
20581 |
584692 |
1 |
SN2O3H14C16 |
AB2C3D14E16 |
-41.85 |
6.67 |
-8.4 |
-0.78 |
0 |
|
|
20582 |
584693 |
1 |
SN2O2H18C19 |
AB2C2D18E19 |
-8.46 |
5.77 |
-8.94 |
-0.63 |
0 |
|
|
20583 |
584696 |
1 |
ClN2O3H13C15 |
AB2C3D13E15 |
-59.81 |
3.35 |
-9.35 |
-0.67 |
0 |
|
|
20584 |
584697 |
1 |
NCl2O3H13C15 |
AB2C3D13E15 |
-94.95 |
4.74 |
-9.31 |
-0.78 |
0 |
|
|
20585 |
584700 |
1 |
N3O3H13C16 |
A3B3C13D16 |
-9.58 |
4.07 |
-8.78 |
-0.83 |
0 |
|
|
20586 |
584702 |
1 |
OSN3C19H25 |
ABC3D19E25 |
6.76 |
5.95 |
-8.52 |
-0.38 |
0 |
|
|
20587 |
584705 |
1 |
NO2C18H21 |
AB2C18D21 |
-85.49 |
3.12 |
-9.75 |
-0.42 |
0 |
|
|
20588 |
584713 |
1 |
SN2O2C16H16 |
AB2C2D16E16 |
-6.8 |
2.48 |
-8.64 |
-0.28 |
0 |
|
|
20589 |
584715 |
1 |
N2O4H14C17 |
A2B4C14D17 |
-100.64 |
8.72 |
-9.46 |
-1.32 |
0 |
|
|
20590 |
584725 |
1 |
SF3N3O4C16H16 |
AB3C3D4E16F16 |
-256.19 |
5.77 |
-8.96 |
-0.56 |
0 |
|
|
20591 |
584738 |
1 |
Cl2O3H10C14 |
A2B3C10D14 |
-89.74 |
5.44 |
-9.38 |
-0.98 |
0 |
|
|
20592 |
584740 |
1 |
N3O4H9C10 |
A3B4C9D10 |
-16.18 |
5.26 |
-9.16 |
-0.69 |
0 |
|
|
20593 |
584741 |
1 |
Cl2F3N3O4H14C17 |
A2B3C3D4E14F17 |
-264.74 |
5.89 |
-9.18 |
-0.84 |
0 |
|
|
20594 |
584744 |
2 |
ClNO2H7C8 |
ABC2D7E8 |
-75.96 |
4.21 |
-9.21 |
-0.67 |
0 |
|
|
20595 |
584758 |
2 |
NO2H7C8 |
AB2C7D8 |
-57.63 |
5.73 |
-8.53 |
-0.58 |
0 |
|
|
20596 |
584760 |
1 |
NO2C8H9 |
AB2C8D9 |
-66.85 |
3.06 |
-10.0 |
-0.45 |
0 |
|
|
20597 |
584764 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-13.02 |
7.75 |
-8.04 |
-0.34 |
0 |
|
|
20598 |
584768 |
1 |
SN5C21H25 |
AB5C21D25 |
95.92 |
4.5 |
-8.61 |
-0.57 |
0 |
|
|
20599 |
584772 |
2 |
NOH5C6 |
ABC5D6 |
1.91 |
3.77 |
-9.33 |
-1.18 |
0 |
|
|
20600 |
584781 |
1 |
O2N3H15C16 |
A2B3C15D16 |
3.31 |
7.37 |
-8.46 |
-0.94 |
0 |
|
|
20601 |
584800 |
1 |
NC12H19 |
AB12C19 |
7.97 |
1.83 |
-9.21 |
2.62 |
0 |
|
|
20602 |
584806 |
1 |
NOC21H27 |
ABC21D27 |
-66.24 |
4.51 |
-8.57 |
0.32 |
0 |
|
|
20603 |
584810 |
1 |
Cl3N3C16H16 |
A3B3C16D16 |
13.89 |
7.86 |
-9.25 |
-1.11 |
0 |
|
|
20604 |
584815 |
1 |
INOC18H22 |
ABCD18E22 |
-40.86 |
5.83 |
-8.7 |
-0.64 |
0 |
|
|
20605 |
584817 |
1 |
NOC19H25 |
ABC19D25 |
-65.72 |
4.06 |
-8.38 |
0.38 |
0 |
|
|
20606 |
584819 |
1 |
NOC20H27 |
ABC20D27 |
-67.64 |
3.63 |
-8.5 |
0.27 |
0 |
|
|
20607 |
584821 |
1 |
O3C14H22 |
A3B14C22 |
-147.72 |
3.78 |
-10.03 |
0.76 |
0 |
|
|
20608 |
584823 |
1 |
ClFNO3C21H21 |
ABCD3E21F21 |
-163.05 |
7.5 |
-9.2 |
-1.08 |
0 |
|
|
20609 |
584830 |
1 |
N2O2C19H26 |
A2B2C19D26 |
-105.41 |
4.06 |
-8.76 |
-0.06 |
0 |
|
|
20610 |
584835 |
1 |
O2F7C15H17 |
A2B7C15D17 |
-463.72 |
3.82 |
-10.55 |
-0.54 |
0 |
|
|
20611 |
584838 |
1 |
F2O2C17H18 |
A2B2C17D18 |
-182.49 |
4.37 |
-9.85 |
-0.46 |
0 |
|
|
20612 |
584840 |
1 |
ClN2O3C21H21 |
AB2C3D21E21 |
-68.22 |
3.67 |
-10.04 |
-1.5 |
0 |
|
|
20613 |
584842 |
1 |
NSO4C19H27 |
ABC4D19E27 |
-159.01 |
5.78 |
-8.94 |
-0.48 |
0 |
|
|
20614 |
584843 |
1 |
NSO4C21H31 |
ABC4D21E31 |
-174.42 |
7.72 |
-8.58 |
-0.55 |
0 |
|
|
20615 |
584848 |
2 |
C7H12 |
A7B12 |
-54.28 |
0.18 |
-9.98 |
3.94 |
0 |
|
|
20616 |
584849 |
1 |
SN3O3C16H19 |
AB3C3D16E19 |
-14.13 |
4.92 |
-9.57 |
-1.92 |
0 |
|
|
20617 |
584850 |
1 |
OSN2C22H26 |
ABC2D22E26 |
-14.9 |
1.93 |
-8.32 |
-0.46 |
0 |
|
|
20618 |
584856 |
2 |
NO2C9H11 |
AB2C9D11 |
-94.38 |
3.63 |
-8.82 |
-1.47 |
0 |
|
|
20619 |
584860 |
1 |
NSO4C19H27 |
ABC4D19E27 |
-160.39 |
5.12 |
-8.71 |
-0.61 |
0 |
|
|
20620 |
584861 |
1 |
SeO2H12C14 |
AB2C12D14 |
-35.3 |
6.06 |
-8.84 |
-0.89 |
0 |
|
|
20621 |
584882 |
1 |
BrNO2C24H24 |
ABC2D24E24 |
-56.04 |
2.93 |
-9.04 |
-1.03 |
0 |
|
|
20622 |
584886 |
1 |
N2C19H26 |
A2B19C26 |
14.92 |
4.74 |
-10.53 |
0.76 |
0 |
|
|
20623 |
584898 |
1 |
NOCl2C20H25 |
ABC2D20E25 |
-43.36 |
4.92 |
-8.79 |
0.33 |
0 |
|
|
20624 |
584902 |
1 |
NOC24H27 |
ABC24D27 |
-18.4 |
3.74 |
-9.33 |
-0.07 |
0 |
|
|
20625 |
584904 |
1 |
O3H14C15 |
A3B14C15 |
-72.89 |
4.2 |
-9.24 |
-0.48 |
0 |
|
|
20626 |
584906 |
1 |
NO4C27H27 |
AB4C27D27 |
-137.99 |
5.27 |
-9.36 |
-1.42 |
0 |
|
|
20627 |
584907 |
1 |
NO2C24H27 |
AB2C24D27 |
-60.16 |
4.67 |
-8.2 |
0.02 |
0 |
|
|
20628 |
584908 |
1 |
NOSC17H23 |
ABCD17E23 |
-25.69 |
3.2 |
-8.24 |
0.27 |
0 |
|
|
20629 |
584923 |
1 |
O4H16C17 |
A4B16C17 |
-112.49 |
4.56 |
-9.39 |
-0.61 |
0 |
|
|
20630 |
584925 |
2 |
OC9H11 |
AB9C11 |
-95.76 |
2.17 |
-9.55 |
0.14 |
0 |
|
|
20631 |
584927 |
2 |
OSC5H5 |
ABC5D5 |
-41.66 |
2.95 |
-9.21 |
-1.57 |
0 |
|
|
20632 |
584928 |
1 |
O3H14C15 |
A3B14C15 |
-73.69 |
3.39 |
-9.15 |
-0.55 |
0 |
|
|
20633 |
584936 |
1 |
SO2N3C11H11 |
AB2C3D11E11 |
4.4 |
5.62 |
-8.51 |
-0.76 |
0 |
|
|
20634 |
584946 |
1 |
BrC10H15 |
AB10C15 |
2.19 |
2.46 |
-8.97 |
-0.06 |
0 |
|
|
20635 |
584949 |
1 |
NOC13H17 |
ABC13D17 |
-37.78 |
4.43 |
-10.19 |
0.03 |
0 |
|
|
20636 |
584950 |
1 |
C15H26 |
A15B26 |
-9.99 |
0.5 |
-9.55 |
1.39 |
0 |
|
|
20637 |
584952 |
1 |
SN3C11H19 |
AB3C11D19 |
3.73 |
1.36 |
-9.28 |
-0.33 |
0 |
|
|
20638 |
584953 |
1 |
NOC22H31 |
ABC22D31 |
-56.56 |
3.84 |
-9.3 |
0.74 |
0 |
|
|
20639 |
584954 |
1 |
SeC10H16 |
AB10C16 |
5.91 |
3.25 |
-8.05 |
-1.04 |
0 |
|
|
20640 |
584956 |
1 |
SN2O2F3H15C17 |
AB2C2D3E15F17 |
-202.98 |
4.04 |
-9.14 |
-0.64 |
0 |
|
|
20641 |
584957 |
1 |
C11H18 |
A11B18 |
-10.2 |
0.69 |
-8.88 |
1.15 |
0 |
|
|
20642 |
584961 |
1 |
ON2C8H10 |
AB2C8D10 |
11.14 |
7.09 |
-8.79 |
-0.98 |
0 |