List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
339529 |
127261519 |
1 |
NO2C17H17 |
AB2C17D17 |
-34.43 |
6.27 |
-9.02 |
-0.39 |
0 |
|
|
339530 |
127261520 |
1 |
NO2C17H17 |
AB2C17D17 |
-33.4 |
5.51 |
-9.02 |
-0.18 |
0 |
|
|
339531 |
127261521 |
1 |
NO6C13H15 |
AB6C13D15 |
-206.5 |
4.34 |
-8.7 |
-0.79 |
0 |
|
|
339532 |
127261522 |
1 |
NO9C17H19 |
AB9C17D19 |
-335.02 |
3.81 |
-9.52 |
-1.03 |
0 |
|
|
339533 |
127261523 |
1 |
NSO2F3H18C22 |
ABC2D3E18F22 |
-176.16 |
7.78 |
-8.9 |
-0.83 |
0 |
|
|
339534 |
127261524 |
1 |
N3O6C17H23 |
A3B6C17D23 |
-234.59 |
2.24 |
-9.35 |
-1.0 |
0 |
|
|
339535 |
127261525 |
1 |
SN2O6C20H34 |
AB2C6D20E34 |
-284.21 |
6.84 |
-9.32 |
-0.64 |
0 |
|
|
339536 |
127261526 |
1 |
Br2N3O3C19H19 |
A2B3C3D19E19 |
-73.27 |
3.04 |
-9.3 |
-1.09 |
0 |
|
|
339537 |
127261527 |
1 |
ON3C21H21 |
AB3C21D21 |
48.44 |
3.57 |
-8.84 |
-0.84 |
0 |
|
|
339538 |
127261528 |
1 |
ON3C21H27 |
AB3C21D27 |
0.68 |
2.3 |
-8.66 |
0.1 |
0 |
|
|
339539 |
127261529 |
1 |
ClON3H20C21 |
ABC3D20E21 |
40.29 |
3.54 |
-8.94 |
-1.04 |
0 |
|
|
339540 |
127261530 |
1 |
OSN4C9H12 |
ABC4D9E12 |
14.54 |
4.24 |
-8.88 |
-0.48 |
0 |
|
|
339541 |
127261531 |
1 |
N3O6C45H79 |
A3B6C45D79 |
-392.18 |
7.51 |
-9.68 |
-0.63 |
0 |
|
|
339542 |
127261532 |
1 |
N4O5C27H30 |
A4B5C27D30 |
-28.14 |
2.56 |
-8.64 |
-1.62 |
0 |
|
|
339543 |
127261533 |
1 |
N5H15C17 |
A5B15C17 |
134.55 |
7.08 |
-9.28 |
-1.46 |
0 |
|
|
339544 |
127261534 |
1 |
ON5C7H13 |
AB5C7D13 |
2.78 |
3.13 |
-7.99 |
0.15 |
0 |
|
|
339545 |
127261535 |
2 |
N3C5H9 |
A3B5C9 |
42.07 |
3.53 |
-9.81 |
0.05 |
0 |
|
|
339546 |
127261536 |
1 |
O3N5C7H11 |
A3B5C7D11 |
-38.25 |
4.63 |
-9.23 |
-0.71 |
0 |
|
|
339547 |
127261537 |
1 |
O5N6C18H20 |
A5B6C18D20 |
-135.88 |
10.08 |
-9.21 |
-0.67 |
0 |
|
|
339548 |
127261538 |
1 |
N5O5C15H21 |
A5B5C15D21 |
-165.34 |
12.67 |
-9.03 |
-0.18 |
0 |
|
|
339549 |
127261539 |
1 |
O3N7C19H31 |
A3B7C19D31 |
-77.64 |
9.43 |
-8.73 |
-0.3 |
0 |
|
|
339550 |
127261540 |
1 |
SN5O5C18H19 |
AB5C5D18E19 |
-116.27 |
5.36 |
-9.0 |
-1.03 |
0 |
|
|
339551 |
127261541 |
1 |
SO4N6C15H24 |
AB4C6D15E24 |
-115.36 |
1.68 |
-8.66 |
-0.86 |
0 |
|
|
339552 |
127261542 |
1 |
FSN5O5C20H22 |
ABC5D5E20F22 |
-176.53 |
3.5 |
-8.9 |
-0.9 |
0 |
|
|
339553 |
127261543 |
1 |
SO4N5C18H29 |
AB4C5D18E29 |
-146.24 |
3.65 |
-8.76 |
-0.76 |
0 |
|
|
339554 |
127261544 |
1 |
SO4N5C15H23 |
AB4C5D15E23 |
-132.41 |
2.26 |
-8.82 |
-0.86 |
0 |
|
|
339555 |
127261545 |
1 |
N5O10H25C31 |
A5B10C25D31 |
-265.95 |
9.91 |
-9.54 |
-1.4 |
0 |
|
|
339556 |
127261546 |
1 |
P2N5C10O12H17 |
A2B5C10D12E17 |
-573.78 |
7.54 |
-9.88 |
-1.44 |
0 |
|
|
339557 |
127261547 |
1 |
O2N4C13H28 |
A2B4C13D28 |
-123.61 |
5.36 |
-9.23 |
1.29 |
0 |
|
|
339558 |
127261548 |
1 |
N2O3C19H36 |
A2B3C19D36 |
-198.82 |
5.96 |
-9.48 |
0.11 |
0 |
|
|
339559 |
127261549 |
1 |
O5H24C28 |
A5B24C28 |
-109.26 |
9.97 |
-9.4 |
-0.97 |
0 |
|
|
339560 |
127261550 |
1 |
BrO3C16H21 |
AB3C16D21 |
-130.94 |
2.19 |
-9.87 |
-0.76 |
0 |
|
|
339561 |
127261551 |
1 |
NO6C24H37 |
AB6C24D37 |
-218.27 |
9.6 |
-9.89 |
-1.46 |
0 |
|
|
339562 |
127261552 |
1 |
C15H22 |
A15B22 |
-6.51 |
0.87 |
-8.8 |
0.59 |
0 |
|
|
339563 |
127261553 |
1 |
N5O5C18H19 |
A5B5C18D19 |
8.45 |
4.94 |
-9.3 |
-2.13 |
0 |
|
|
339564 |
127261554 |
1 |
ON4C13H20 |
AB4C13D20 |
-21.1 |
6.25 |
-9.09 |
-0.33 |
0 |
|
|
339565 |
127261555 |
2 |
ON2C11H16 |
AB2C11D16 |
-77.67 |
3.24 |
-8.37 |
-0.7 |
0 |
|
|
339566 |
127261556 |
2 |
ON2C15H29 |
AB2C15D29 |
-196.18 |
3.46 |
-8.54 |
0.95 |
0 |
|
|
339567 |
127261557 |
2 |
NO2C8H10 |
AB2C8D10 |
-124.0 |
6.21 |
-9.56 |
-0.13 |
0 |
|
|
339568 |
127261558 |
2 |
NOC11H14 |
ABC11D14 |
-78.58 |
3.07 |
-8.52 |
-0.06 |
0 |
|
|
339569 |
127261559 |
2 |
N2O3C9H9 |
A2B3C9D9 |
-63.91 |
10.7 |
-9.71 |
-1.79 |
0 |
|
|
339570 |
127261560 |
2 |
ON3H14C16 |
AB3C14D16 |
34.36 |
6.97 |
-8.36 |
-1.41 |
0 |
|
|
339571 |
127261561 |
2 |
ON3C9H18 |
AB3C9D18 |
-99.79 |
1.81 |
-8.24 |
1.12 |
0 |
|
|
339572 |
127261562 |
2 |
ON2C6H13 |
AB2C6D13 |
-103.52 |
0.58 |
-8.61 |
1.02 |
0 |
|
|
339573 |
127261563 |
2 |
OSN2C10H11 |
ABC2D10E11 |
-15.36 |
4.9 |
-8.95 |
-1.01 |
0 |
|
|
339574 |
127261564 |
2 |
ON2C11H15 |
AB2C11D15 |
-60.35 |
2.57 |
-9.28 |
0.04 |
0 |
|
|
339575 |
127261565 |
2 |
ON2C13H15 |
AB2C13D15 |
-40.07 |
3.44 |
-8.28 |
0.08 |
0 |
|
|
339576 |
127261566 |
2 |
NO3C7H12 |
AB3C7D12 |
-302.23 |
3.77 |
-9.64 |
0.46 |
0 |
|
|
339577 |
127261567 |
2 |
N2O3C14H21 |
A2B3C14D21 |
-241.95 |
2.68 |
-8.83 |
-0.39 |
0 |
|
|
339578 |
127261568 |
2 |
S2O3N4C5H7 |
A2B3C4D5E7 |
-120.64 |
8.62 |
-10.09 |
-2.5 |
0 |