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 |
|
|
53587 |
14716804 |
1 |
ClO5C35H43 |
AB5C35D43 |
-207.68 |
2.82 |
-8.57 |
-0.95 |
0 |
|
|
53588 |
14716809 |
30 |
CH |
AB |
128.09 |
0.74 |
-8.42 |
-0.76 |
0 |
|
|
53589 |
14716815 |
1 |
FON2C20H23 |
ABC2D20E23 |
-43.51 |
2.4 |
-8.7 |
-0.74 |
0 |
|
|
53590 |
14716823 |
1 |
ClNO6C30H42 |
ABC6D30E42 |
-285.59 |
7.28 |
-8.8 |
-0.76 |
0 |
|
|
53591 |
14716836 |
1 |
O5C34H40 |
A5B34C40 |
-167.53 |
2.65 |
-8.59 |
-1.5 |
0 |
|
|
53592 |
14716841 |
1 |
O5C40H52 |
A5B40C52 |
-198.0 |
4.34 |
-8.51 |
-1.46 |
0 |
|
|
53593 |
14716846 |
1 |
FO3C30H43 |
AB3C30D43 |
-204.41 |
3.52 |
-8.96 |
-0.51 |
0 |
|
|
53594 |
14716856 |
1 |
FO3C33H41 |
AB3C33D41 |
-149.49 |
5.05 |
-8.27 |
0.2 |
0 |
|
|
53595 |
14716862 |
2 |
O2C15H22 |
A2B15C22 |
-189.58 |
2.47 |
-8.9 |
-0.61 |
0 |
|
|
53596 |
14716864 |
2 |
O3C13H17 |
A3B13C17 |
-243.5 |
5.32 |
-9.44 |
-0.81 |
0 |
|
|
53597 |
14716865 |
2 |
OC15H19 |
AB15C19 |
-63.01 |
2.64 |
-8.58 |
-0.04 |
0 |
|
|
53598 |
14716867 |
1 |
SO2C28H40 |
AB2C28D40 |
-101.89 |
2.14 |
-8.97 |
-0.47 |
0 |
|
|
53599 |
14716868 |
1 |
SO2C28H40 |
AB2C28D40 |
-99.66 |
2.44 |
-8.76 |
-0.56 |
0 |
|
|
53600 |
14716875 |
1 |
NO3H13C16 |
AB3C13D16 |
-43.36 |
2.76 |
-10.08 |
-2.02 |
0 |
|
|
53601 |
14716876 |
1 |
NC14H21 |
AB14C21 |
-11.26 |
1.8 |
-7.81 |
0.72 |
0 |
|
|
53602 |
14716893 |
1 |
NOC16H19 |
ABC16D19 |
-1.75 |
2.6 |
-8.81 |
-0.03 |
0 |
|
|
53603 |
14716894 |
1 |
NOC16H19 |
ABC16D19 |
-2.39 |
2.12 |
-9.18 |
0.08 |
0 |
|
|
53604 |
14716896 |
1 |
NO2C16H19 |
AB2C16D19 |
-36.31 |
1.4 |
-8.34 |
-0.07 |
0 |
|
|
53605 |
14716915 |
1 |
N4S4O5H14C28 |
A4B4C5D14E28 |
65.63 |
4.82 |
-8.98 |
-2.29 |
0 |
|
|
53606 |
14716916 |
1 |
N3S7H15C29 |
A3B7C15D29 |
260.78 |
5.16 |
-8.63 |
-1.94 |
0 |
|
|
53607 |
14716917 |
1 |
ON2S4H18C27 |
AB2C4D18E27 |
133.16 |
1.66 |
-8.36 |
-1.62 |
0 |
|
|
53608 |
14716922 |
1 |
O3N4S4H14C29 |
A3B4C4D14E29 |
103.12 |
1.83 |
-9.15 |
-2.19 |
0 |
|
|
53609 |
14716924 |
1 |
O3N4S4H18C32 |
A3B4C4D18E32 |
201.0 |
7.75 |
-8.12 |
-2.38 |
0 |
|
|
53610 |
14716949 |
1 |
ON2S3H18C26 |
AB2C3D18E26 |
121.38 |
3.52 |
-8.33 |
-1.75 |
0 |
|
|
53611 |
14716969 |
1 |
O2S3N4H24C38 |
A2B3C4D24E38 |
180.74 |
2.75 |
-8.3 |
-1.92 |
0 |
|
|
53612 |
14716972 |
3 |
SN2O2H6C12 |
AB2C2D6E12 |
9.02 |
2.75 |
-9.01 |
-2.28 |
0 |
|
|
53613 |
14716975 |
1 |
S3O4N6H32C47 |
A3B4C6D32E47 |
112.86 |
6.59 |
-8.56 |
-2.11 |
0 |
|
|
53614 |
14717153 |
1 |
ClSO3N5C30H48 |
ABC3D5E30F48 |
-91.75 |
7.36 |
-8.95 |
-0.77 |
0 |
|
|
53615 |
14717161 |
1 |
S2N5O6C51H83 |
A2B5C6D51E83 |
-242.74 |
9.93 |
-8.0 |
-0.62 |
0 |
|
|
53616 |
14717162 |
1 |
ClO2N5C32H50 |
AB2C5D32E50 |
-48.52 |
12.22 |
-8.93 |
-0.79 |
0 |
|
|
53617 |
14717172 |
1 |
KN2S3O5H17C20 |
AB2C3D5E17F20 |
-173.09 |
6.6 |
-8.17 |
-1.11 |
0 |
|
|
53618 |
14717178 |
1 |
Cl2N5O6C53H67 |
A2B5C6D53E67 |
-205.53 |
6.57 |
-9.55 |
-1.23 |
0 |
|
|
53619 |
14717634 |
1 |
O4C11H20 |
A4B11C20 |
-128.06 |
2.96 |
-9.99 |
-0.28 |
0 |
|
|
53620 |
14717636 |
1 |
FOC10H11 |
ABC10D11 |
-68.61 |
4.0 |
-9.91 |
-0.85 |
0 |
|
|
53621 |
14717640 |
1 |
NO2F3H6C7 |
AB2C3D6E7 |
-169.69 |
2.78 |
-9.01 |
-1.11 |
0 |
|
|
53622 |
14717642 |
1 |
O3F7H9C12 |
A3B7C9D12 |
-455.6 |
0.7 |
-9.82 |
-0.8 |
0 |
|
|
53623 |
14717643 |
1 |
O3F7H7C11 |
A3B7C7D11 |
-452.86 |
4.84 |
-10.04 |
-0.91 |
0 |
|
|
53624 |
14717644 |
1 |
BrF17C19H22 |
AB17C19D22 |
-898.4 |
2.93 |
-10.54 |
-0.49 |
0 |
|
|
53625 |
14717646 |
1 |
O3F11H25C30 |
A3B11C25D30 |
-617.04 |
4.4 |
-9.04 |
-0.89 |
0 |
|
|
53626 |
14717647 |
1 |
O3F7H25C28 |
A3B7C25D28 |
-424.64 |
6.77 |
-9.01 |
-0.94 |
0 |
|
|
53627 |
14717649 |
1 |
O3F15H21C26 |
A3B15C21D26 |
-842.74 |
6.28 |
-8.89 |
-0.94 |
0 |
|
|
53628 |
14717650 |
1 |
O2F15H21C26 |
A2B15C21D26 |
-808.51 |
6.17 |
-9.43 |
-0.92 |
0 |
|
|
53629 |
14717651 |
1 |
SO3F11H25C26 |
AB3C11D25E26 |
-643.01 |
5.05 |
-8.94 |
-0.61 |
0 |
|
|
53630 |
14717652 |
1 |
SO3F7H21C22 |
AB3C7D21E22 |
-442.84 |
2.31 |
-8.77 |
-0.84 |
0 |
|
|
53631 |
14717654 |
1 |
SO3F15H21C26 |
AB3C15D21E26 |
-830.42 |
1.78 |
-8.7 |
-0.86 |
0 |
|
|
53632 |
14717656 |
1 |
SO3F11H21C24 |
AB3C11D21E24 |
-635.7 |
2.83 |
-8.73 |
-0.79 |
0 |
|
|
53633 |
14717659 |
1 |
O5F15H29C30 |
A5B15C29D30 |
-926.16 |
4.76 |
-8.88 |
-0.55 |
0 |
|
|
53634 |
14717660 |
1 |
O4F11H21C24 |
A4B11C21D24 |
-677.85 |
2.05 |
-8.58 |
-0.84 |
0 |
|
|
53635 |
14717661 |
1 |
O4F15H21C26 |
A4B15C21D26 |
-868.45 |
2.7 |
-8.61 |
-0.85 |
0 |
|
|
53636 |
14717662 |
1 |
O4F7C24H25 |
A4B7C24D25 |
-492.44 |
4.93 |
-8.65 |
-0.88 |
0 |