List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
53534 |
14716499 |
1 |
ON2C20H22 |
AB2C20D22 |
28.54 |
6.55 |
-9.24 |
-1.62 |
0 |
|
|
53535 |
14716504 |
1 |
N2O2C33H36 |
A2B2C33D36 |
-4.18 |
3.21 |
-8.22 |
0.07 |
0 |
|
|
53536 |
14716508 |
1 |
O2F3C5H7 |
A2B3C5D7 |
-236.43 |
2.27 |
-11.46 |
-0.01 |
0 |
|
|
53537 |
14716512 |
1 |
ClFN2O3H10C16 |
ABC2D3E10F16 |
-109.63 |
9.31 |
-9.1 |
-1.32 |
0 |
|
|
53538 |
14716526 |
2 |
OSC15H27 |
ABC15D27 |
-172.61 |
3.01 |
-8.03 |
-0.49 |
0 |
|
|
53539 |
14716528 |
2 |
OC14H21 |
AB14C21 |
-119.35 |
0.9 |
-8.41 |
-0.32 |
0 |
|
|
53540 |
14716536 |
1 |
SO3N4H34C38 |
AB3C4D34E38 |
114.94 |
12.93 |
-8.36 |
-2.2 |
0 |
|
|
53542 |
14716555 |
2 |
SN3C16H16 |
AB3C16D16 |
169.83 |
5.81 |
-8.25 |
-0.62 |
0 |
|
|
53544 |
14716571 |
1 |
SeN2O5H18C21 |
AB2C5D18E21 |
-50.81 |
7.16 |
-8.63 |
-1.26 |
0 |
|
|
53545 |
14716575 |
1 |
SeN2O5H20C22 |
AB2C5D20E22 |
-61.87 |
8.32 |
-8.52 |
-1.24 |
0 |
|
|
53546 |
14716580 |
1 |
ClNSO4H18C19 |
ABCD4E18F19 |
92.55 |
12.29 |
-8.36 |
-3.27 |
0 |
|
|
53547 |
14716582 |
1 |
ClNSO4H22C23 |
ABCD4E22F23 |
118.21 |
13.41 |
-8.2 |
-3.3 |
0 |
|
|
53548 |
14716583 |
1 |
ClSN2O4C33H33 |
ABC2D4E33F33 |
152.55 |
14.6 |
-8.16 |
-2.98 |
0 |
|
|
53549 |
14716585 |
1 |
N6C31H32 |
A6B31C32 |
186.07 |
3.31 |
-8.89 |
-1.58 |
0 |
|
|
53550 |
14716586 |
2 |
NO3C28H29 |
AB3C28D29 |
-184.4 |
8.48 |
-8.72 |
-2.09 |
0 |
|
|
53551 |
14716592 |
2 |
S4H5C8 |
A4B5C8 |
160.81 |
1.3 |
-7.95 |
-0.22 |
0 |
|
|
53552 |
14716597 |
1 |
NO2H13C18 |
AB2C13D18 |
-4.81 |
1.69 |
-9.59 |
-1.37 |
0 |
|
|
53553 |
14716613 |
1 |
OCl3C8F13 |
AB3C8D13 |
-703.12 |
0.66 |
-11.63 |
-1.75 |
0 |
|
|
53554 |
14716617 |
1 |
Cl2O2H3C9F13 |
A2B2C3D9E13 |
-740.91 |
2.56 |
-11.43 |
-1.13 |
0 |
|
|
53555 |
14716622 |
1 |
OCl3C14F25 |
AB3C14D25 |
-1285.31 |
0.87 |
-11.63 |
-1.73 |
0 |
|
|
53556 |
14716626 |
2 |
NO2C15H19 |
AB2C15D19 |
-110.42 |
3.14 |
-9.76 |
-0.68 |
0 |
|
|
53557 |
14716629 |
2 |
NO2C11H11 |
AB2C11D11 |
-69.13 |
3.18 |
-9.88 |
-1.5 |
0 |
|
|
53558 |
14716635 |
3 |
FH3C5 |
AB3C5 |
-95.49 |
3.76 |
-8.86 |
-1.54 |
0 |
|
|
53559 |
14716637 |
1 |
O2H20C21 |
A2B20C21 |
71.9 |
2.62 |
-8.62 |
0.26 |
0 |
|
|
53560 |
14716643 |
1 |
NO2H11C12 |
AB2C11D12 |
-45.2 |
5.69 |
-8.74 |
-0.57 |
0 |
|
|
53561 |
14716644 |
1 |
NO5C10H15 |
AB5C10D15 |
-168.85 |
4.09 |
-10.5 |
-0.58 |
0 |
|
|
53562 |
14716652 |
1 |
O4C35H48 |
A4B35C48 |
-160.33 |
1.55 |
-8.3 |
-0.04 |
0 |
|
|
53563 |
14716662 |
3 |
OC12H16 |
AB12C16 |
-122.06 |
6.94 |
-9.03 |
-0.26 |
0 |
|
|
53564 |
14716666 |
1 |
ClO5C32H37 |
AB5C32D37 |
-194.95 |
6.83 |
-9.14 |
-0.67 |
0 |
|
|
53565 |
14716668 |
1 |
ClO5C35H43 |
AB5C35D43 |
-209.69 |
4.33 |
-8.95 |
-0.63 |
0 |
|
|
53566 |
14716679 |
1 |
O5H9F11C19 |
A5B9C11D19 |
-705.37 |
3.03 |
-9.91 |
-1.73 |
0 |
|
|
53567 |
14716680 |
1 |
O3F4C15H18 |
A3B4C15D18 |
-313.22 |
3.14 |
-10.36 |
-1.52 |
0 |
|
|
53568 |
14716681 |
1 |
ClO4H8F11C19 |
AB4C8D11E19 |
-670.09 |
2.25 |
-9.94 |
-1.72 |
0 |
|
|
53569 |
14716683 |
1 |
O7F15H29C36 |
A7B15C29D36 |
-974.66 |
3.28 |
-10.05 |
-1.69 |
0 |
|
|
53570 |
14716687 |
1 |
O6F15H25C33 |
A6B15C25D33 |
-921.4 |
8.51 |
-9.23 |
-1.55 |
0 |
|
|
53571 |
14716691 |
1 |
O7F15H23C33 |
A7B15C23D33 |
-961.47 |
4.09 |
-9.95 |
-1.76 |
0 |
|
|
53572 |
14716693 |
1 |
O7F15H17C26 |
A7B15C17D26 |
-977.71 |
2.8 |
-10.48 |
-1.96 |
0 |
|
|
53573 |
14716708 |
1 |
N2O3H22C24 |
A2B3C22D24 |
-14.34 |
7.96 |
-8.06 |
-0.76 |
0 |
|
|
53574 |
14716719 |
1 |
O4C39H54 |
A4B39C54 |
-177.94 |
1.19 |
-8.47 |
-0.57 |
0 |
|
|
53575 |
14716722 |
1 |
BrOC21H29 |
ABC21D29 |
-59.3 |
4.12 |
-9.31 |
0.01 |
0 |
|
|
53576 |
14716734 |
1 |
O6C35H42 |
A6B35C42 |
-218.19 |
4.24 |
-8.98 |
-1.14 |
0 |
|
|
53578 |
14716745 |
1 |
O5C32H42 |
A5B32C42 |
-210.25 |
5.9 |
-8.9 |
-0.86 |
0 |
|
|
53579 |
14716747 |
1 |
O5C30H38 |
A5B30C38 |
-201.72 |
6.48 |
-8.96 |
-0.83 |
0 |
|
|
53580 |
14716750 |
1 |
O5C36H42 |
A5B36C42 |
-176.62 |
6.06 |
-9.0 |
-1.02 |
0 |
|
|
53581 |
14716755 |
1 |
O5C39H48 |
A5B39C48 |
-190.48 |
6.45 |
-8.93 |
-1.05 |
0 |
|
|
53582 |
14716764 |
1 |
ClO5C38H45 |
AB5C38D45 |
-190.44 |
5.91 |
-8.94 |
-0.99 |
0 |
|
|
53583 |
14716772 |
1 |
O6C41H48 |
A6B41C48 |
-232.22 |
5.11 |
-8.78 |
-0.96 |
0 |
|
|
53584 |
14716777 |
1 |
O5C29H38 |
A5B29C38 |
-223.64 |
2.09 |
-8.51 |
-0.13 |
0 |
|
|
53585 |
14716781 |
2 |
O3C14H17 |
A3B14C17 |
-259.5 |
3.01 |
-9.21 |
-0.74 |
0 |
|
|
53586 |
14716799 |
1 |
FO4C33H47 |
AB4C33D47 |
-244.52 |
3.82 |
-8.51 |
-0.17 |
0 |