List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
432497 |
135172630 |
1 |
ON3C11H15 |
AB3C11D15 |
-6.58 |
4.2 |
-8.08 |
-0.31 |
0 |
|
|
432498 |
135172631 |
1 |
O8C35H42 |
A8B35C42 |
-280.54 |
3.24 |
-8.9 |
-0.66 |
0 |
|
|
432499 |
135172632 |
1 |
N3O4P4C6H15 |
A3B4C4D6E15 |
-146.78 |
2.2 |
-9.45 |
0.05 |
0 |
|
|
432500 |
135172633 |
1 |
F3O8C39H41 |
A3B8C39D41 |
-431.32 |
3.42 |
-9.01 |
-0.68 |
0 |
|
|
432501 |
135172634 |
1 |
O2N5C22H27 |
A2B5C22D27 |
-31.27 |
4.48 |
-8.22 |
-0.46 |
0 |
|
|
432502 |
135172635 |
1 |
O2N6C21H26 |
A2B6C21D26 |
-13.01 |
3.63 |
-8.2 |
-0.44 |
0 |
|
|
432503 |
135172636 |
1 |
O2N7C20H25 |
A2B7C20D25 |
2.63 |
4.68 |
-8.37 |
-0.65 |
0 |
|
|
432504 |
135172637 |
1 |
SO2N4C22H26 |
AB2C4D22E26 |
-27.16 |
2.9 |
-8.4 |
-0.7 |
0 |
|
|
432505 |
135172638 |
1 |
N4O4C21H24 |
A4B4C21D24 |
-83.88 |
3.59 |
-8.66 |
-0.62 |
0 |
|
|
432506 |
135172639 |
2 |
O3C18H26 |
A3B18C26 |
-297.97 |
3.81 |
-8.6 |
-0.33 |
0 |
|
|
432507 |
135172640 |
2 |
O4C22H29 |
A4B22C29 |
-337.74 |
2.69 |
-8.86 |
-0.52 |
0 |
|
|
432508 |
135172641 |
2 |
O4C15H20 |
A4B15C20 |
-322.65 |
2.03 |
-8.55 |
-0.57 |
0 |
|
|
432509 |
135172642 |
1 |
ClN3C9H10 |
AB3C9D10 |
45.43 |
5.19 |
-8.97 |
-0.54 |
0 |
|
|
432510 |
135172643 |
1 |
O2N6C21H26 |
A2B6C21D26 |
-20.0 |
6.92 |
-8.59 |
-0.68 |
0 |
|
|
432511 |
135172644 |
2 |
O3C16H25 |
A3B16C25 |
-313.97 |
4.69 |
-8.98 |
-0.42 |
0 |
|
|
432512 |
135172645 |
1 |
ON2C11H20 |
AB2C11D20 |
-35.58 |
4.96 |
-8.76 |
0.59 |
0 |
|
|
432513 |
135172646 |
1 |
ClO2N8C33H39 |
AB2C8D33E39 |
-3.02 |
2.76 |
-8.57 |
-0.32 |
0 |
|
|
432514 |
135172647 |
1 |
NO2C9H13 |
AB2C9D13 |
-46.9 |
4.85 |
-9.19 |
0.22 |
0 |
|
|
432515 |
135172648 |
2 |
O3C7H10 |
A3B7C10 |
-252.49 |
3.98 |
-10.45 |
-0.14 |
0 |
|
|
432516 |
135172649 |
1 |
Cl2O3N8C32H36 |
A2B3C8D32E36 |
-44.72 |
4.91 |
-8.78 |
-0.54 |
0 |
|
|
432517 |
135172650 |
1 |
Cl2O5N8C38H44 |
A2B5C8D38E44 |
-157.22 |
7.64 |
-8.84 |
-0.55 |
0 |
|
|
432518 |
135172651 |
1 |
Cl2O5N8C37H42 |
A2B5C8D37E42 |
-143.85 |
3.56 |
-8.91 |
-0.61 |
0 |
|
|
432519 |
135172652 |
1 |
Cl2O4N8C39H46 |
A2B4C8D39E46 |
-110.83 |
7.75 |
-8.83 |
-0.55 |
0 |
|
|
432520 |
135172653 |
2 |
O4C17H24 |
A4B17C24 |
-355.54 |
3.72 |
-8.79 |
-0.5 |
0 |
|
|
432521 |
135172654 |
1 |
O4N6C25H32 |
A4B6C25D32 |
-100.45 |
6.3 |
-9.07 |
-0.26 |
0 |
|
|
432522 |
135172655 |
1 |
O3N8C24H32 |
A3B8C24D32 |
-36.6 |
6.18 |
-8.7 |
-0.58 |
0 |
|
|
432523 |
135172656 |
1 |
O3C8H10 |
A3B8C10 |
-111.83 |
5.71 |
-9.55 |
-0.76 |
0 |
|
|
432524 |
135172657 |
1 |
FO8C36H47 |
AB8C36D47 |
-372.21 |
1.83 |
-8.95 |
-0.53 |
0 |
|
|
432525 |
135172658 |
1 |
O4C19H26 |
A4B19C26 |
-163.73 |
7.42 |
-9.23 |
-0.25 |
0 |
|
|
432526 |
135172659 |
2 |
O3C11H14 |
A3B11C14 |
-254.99 |
5.46 |
-9.07 |
-0.48 |
0 |
|
|
432527 |
135172660 |
2 |
O4C20H29 |
A4B20C29 |
-367.77 |
0.46 |
-8.93 |
-0.55 |
0 |
|
|
432528 |
135172661 |
1 |
NOC7H13 |
ABC7D13 |
-42.67 |
2.49 |
-9.54 |
0.63 |
0 |
|
|
432529 |
135172662 |
4 |
O2C9H14 |
A2B9C14 |
-390.94 |
3.93 |
-8.97 |
-0.52 |
0 |
|
|
432530 |
135172663 |
1 |
N4C9H18 |
A4B9C18 |
10.02 |
3.59 |
-8.23 |
0.57 |
0 |
|
|
432531 |
135172664 |
1 |
S2F3O4C31H35 |
A2B3C4D31E35 |
-290.37 |
1.84 |
-9.1 |
-0.82 |
0 |
|
|
432532 |
135172665 |
1 |
FO8C36H47 |
AB8C36D47 |
-370.93 |
3.58 |
-9.02 |
-0.59 |
0 |
|
|
432533 |
135172666 |
1 |
NOC9H17 |
ABC9D17 |
-31.13 |
2.9 |
-9.9 |
0.68 |
0 |
|
|
432534 |
135172667 |
1 |
F2O9C36H42 |
A2B9C36D42 |
-428.68 |
3.21 |
-9.23 |
-0.64 |
0 |
|
|
432535 |
135172668 |
1 |
F3O8C37H47 |
A3B8C37D47 |
-477.65 |
0.71 |
-8.54 |
-0.72 |
0 |
|
|
432536 |
135172669 |
1 |
F3O8C35H43 |
A3B8C35D43 |
-475.22 |
3.81 |
-9.15 |
-0.6 |
0 |
|
|
432537 |
135172670 |
1 |
O3N7C25H27 |
A3B7C25D27 |
-21.37 |
10.67 |
-9.07 |
-1.01 |
0 |
|
|
432538 |
135172671 |
2 |
N4C13H15 |
A4B13C15 |
146.09 |
7.81 |
-8.31 |
-0.34 |
0 |
|
|
432539 |
135172672 |
1 |
O3N8C26H30 |
A3B8C26D30 |
-12.8 |
10.16 |
-8.82 |
-0.77 |
0 |
|
|
432540 |
135172673 |
1 |
NO2C12H15 |
AB2C12D15 |
-58.82 |
5.2 |
-8.57 |
-0.37 |
0 |
|
|
432541 |
135172674 |
2 |
O5C23H31 |
A5B23C31 |
-428.35 |
0.89 |
-8.93 |
-0.56 |
0 |
|
|
432542 |
135172675 |
1 |
F3O10C36H37 |
A3B10C36D37 |
-503.37 |
4.0 |
-9.0 |
-0.88 |
0 |
|
|
432543 |
135172676 |
1 |
F5O9C36H37 |
A5B9C36D37 |
-575.21 |
4.3 |
-9.0 |
-0.67 |
0 |
|
|
432544 |
135172677 |
1 |
F3O8C35H37 |
A3B8C35D37 |
-437.48 |
4.9 |
-9.02 |
-0.68 |
0 |
|
|
432545 |
135172678 |
1 |
NC20H25 |
AB20C25 |
32.13 |
1.2 |
-8.98 |
0.21 |
0 |
|
|
432546 |
135172679 |
1 |
O4N7C24H31 |
A4B7C24D31 |
-85.1 |
7.34 |
-9.34 |
-0.46 |
0 |
|
|
432547 |
135172680 |
1 |
N7C25H33 |
A7B25C33 |
103.95 |
5.75 |
-8.06 |
-0.64 |
0 |
|
|
432548 |
135172681 |
3 |
F2O3C12H12 |
A2B3C12D12 |
-622.77 |
5.13 |
-8.9 |
-0.81 |
0 |
|
|
432549 |
135172682 |
2 |
N3C13H17 |
A3B13C17 |
86.91 |
5.26 |
-8.32 |
-0.26 |
0 |
|
|
432550 |
135172683 |
1 |
ClFN3O3H23C25 |
ABC3D3E23F25 |
-84.2 |
3.23 |
-9.1 |
-0.74 |
0 |
|
|
432551 |
135172684 |
1 |
N3O3C25H27 |
A3B3C25D27 |
-41.8 |
7.49 |
-8.86 |
-0.52 |
0 |
|
|
432552 |
135172685 |
2 |
ON2C13H15 |
AB2C13D15 |
-4.46 |
5.28 |
-8.8 |
-0.68 |
0 |
|
|
432553 |
135172686 |
1 |
O3N4H26C28 |
A3B4C26D28 |
-5.03 |
6.21 |
-8.88 |
-0.77 |
0 |
|
|
432554 |
135172687 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-44.85 |
5.42 |
-9.05 |
-0.66 |
0 |
|
|
432555 |
135172688 |
1 |
O3N4C23H28 |
A3B4C23D28 |
-62.4 |
6.17 |
-9.04 |
-0.72 |
0 |
|
|
432556 |
135172689 |
1 |
O3N4C9H10 |
A3B4C9D10 |
-50.72 |
5.97 |
-9.74 |
-0.91 |
0 |
|
|
432557 |
135172690 |
1 |
O2N3C11H15 |
A2B3C11D15 |
-45.02 |
3.57 |
-9.17 |
-1.0 |
0 |
|
|
432558 |
135172691 |
1 |
F2O8C31H38 |
A2B8C31D38 |
-386.85 |
1.81 |
-9.18 |
-0.7 |
0 |
|
|
432559 |
135172692 |
1 |
ClO2N4C26H29 |
AB2C4D26E29 |
-15.85 |
4.97 |
-8.63 |
-0.74 |
0 |
|
|
432560 |
135172693 |
1 |
O3N4H30C31 |
A3B4C30D31 |
-10.67 |
8.55 |
-8.43 |
-0.68 |
0 |
|
|
432561 |
135172694 |
1 |
N5C11H19 |
A5B11C19 |
38.46 |
2.82 |
-8.66 |
-0.77 |
0 |
|
|
432562 |
135172695 |
1 |
ON4C12H18 |
AB4C12D18 |
0.23 |
2.82 |
-8.38 |
-1.29 |
0 |
|
|
432563 |
135172696 |
1 |
ClO2N3C11H12 |
AB2C3D11E12 |
-44.95 |
4.54 |
-9.88 |
-0.84 |
0 |
|
|
432564 |
135172697 |
1 |
FN3O3C26H28 |
AB3C3D26E28 |
-67.56 |
3.86 |
-8.46 |
-0.43 |
0 |
|
|
432565 |
135172698 |
1 |
O3N4C27H32 |
A3B4C27D32 |
-48.94 |
4.14 |
-8.43 |
-0.59 |
0 |
|
|
432566 |
135172699 |
1 |
O3N4H30C32 |
A3B4C30D32 |
4.26 |
5.12 |
-8.28 |
-0.74 |
0 |
|
|
432567 |
135172700 |
1 |
O3N4C32H34 |
A3B4C32D34 |
8.16 |
6.99 |
-8.29 |
-0.58 |
0 |
|
|
432568 |
135172701 |
1 |
SO3N7C28H29 |
AB3C7D28E29 |
-7.03 |
10.26 |
-8.06 |
-0.61 |
0 |
|
|
432569 |
135172702 |
1 |
O3N4C27H28 |
A3B4C27D28 |
-24.64 |
8.27 |
-8.47 |
-0.43 |
0 |
|
|
432570 |
135172703 |
1 |
O3N5C23H25 |
A3B5C23D25 |
-9.04 |
4.61 |
-8.98 |
-0.93 |
0 |
|
|
432571 |
135172704 |
1 |
O3N4C28H28 |
A3B4C28D28 |
-14.15 |
6.15 |
-8.91 |
-0.95 |
0 |
|
|
432572 |
135172705 |
4 |
NC2H4 |
AB2C4 |
29.87 |
2.72 |
-8.15 |
0.6 |
0 |
|
|
432573 |
135172706 |
1 |
O2N4C7H10 |
A2B4C7D10 |
-20.57 |
2.35 |
-9.01 |
-0.7 |
0 |
|
|
432574 |
135172707 |
1 |
N2C9H18 |
A2B9C18 |
15.83 |
2.1 |
-8.38 |
0.8 |
0 |
|
|
432575 |
135172708 |
1 |
O3N4C23H30 |
A3B4C23D30 |
-78.87 |
7.47 |
-8.93 |
-0.56 |
0 |
|
|
432576 |
135172709 |
1 |
O3N8C27H34 |
A3B8C27D34 |
-18.19 |
5.93 |
-8.68 |
-0.8 |
0 |
|
|
432577 |
135172710 |
1 |
O2F3N4C27H29 |
A2B3C4D27E29 |
-168.78 |
4.25 |
-8.82 |
-0.72 |
0 |
|
|
432578 |
135172712 |
1 |
O3N4C27H30 |
A3B4C27D30 |
-35.12 |
3.56 |
-8.42 |
-0.65 |
0 |
|
|
432579 |
135172713 |
1 |
FO2N4C26H27 |
AB2C4D26E27 |
-39.29 |
4.01 |
-8.59 |
-0.66 |
0 |
|
|
432580 |
135172714 |
1 |
FN4O6C25H37 |
AB4C6D25E37 |
-280.2 |
3.29 |
-9.14 |
-0.02 |
0 |
|
|
432581 |
135172715 |
1 |
ClFO2N4C26H28 |
ABC2D4E26F28 |
-62.14 |
6.84 |
-8.93 |
-0.56 |
0 |
|
|
432582 |
135172716 |
1 |
O3N5C23H23 |
A3B5C23D23 |
0.33 |
8.12 |
-9.21 |
-0.79 |
0 |
|
|
432583 |
135172717 |
1 |
N3O4C28H33 |
A3B4C28D33 |
-86.71 |
5.43 |
-9.12 |
-0.77 |
0 |
|
|
432584 |
135172718 |
2 |
NO3C13H18 |
AB3C13D18 |
-252.61 |
2.8 |
-9.14 |
-0.18 |
0 |
|
|
432585 |
135172719 |
1 |
FO2N4C26H29 |
AB2C4D26E29 |
-52.61 |
4.64 |
-8.65 |
-0.67 |
0 |
|
|
432586 |
135172720 |
1 |
N2O6C29H44 |
A2B6C29D44 |
-286.94 |
3.6 |
-9.29 |
0.22 |
0 |
|
|
432587 |
135172721 |
2 |
NO2C12H18 |
AB2C12D18 |
-173.17 |
3.73 |
-8.84 |
0.24 |
0 |
|
|
432588 |
135172722 |
1 |
N3C12H23 |
A3B12C23 |
13.91 |
4.06 |
-8.05 |
0.3 |
0 |
|
|
432589 |
135172723 |
1 |
FSN7O11C47H74 |
ABC7D11E47F74 |
-577.19 |
7.98 |
-8.79 |
-0.36 |
0 |
|
|
432590 |
135172724 |
2 |
NOC10H11 |
ABC10D11 |
-38.05 |
0.25 |
-9.55 |
0.07 |
0 |
|
|
432591 |
135172725 |
2 |
N2O2H12C13 |
A2B2C12D13 |
-30.35 |
2.34 |
-9.07 |
-0.71 |
0 |
|
|
432592 |
135172726 |
1 |
O2N4C27H30 |
A2B4C27D30 |
4.35 |
5.43 |
-8.61 |
-0.64 |
0 |
|
|
432593 |
135172727 |
1 |
N5O9C37H61 |
A5B9C37D61 |
-422.92 |
7.64 |
-8.93 |
0.06 |
0 |
|
|
432594 |
135172728 |
1 |
O4N6C29H36 |
A4B6C29D36 |
-126.81 |
0.62 |
-8.23 |
-0.07 |
0 |
|
|
432595 |
135172729 |
2 |
O4C17H23 |
A4B17C23 |
-338.53 |
4.04 |
-8.99 |
-0.68 |
0 |
|
|
432596 |
135172730 |
1 |
ON3C18H25 |
AB3C18D25 |
22.18 |
2.24 |
-8.41 |
0.07 |
0 |