List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
416497 |
135089512 |
1 |
NSO6C19H29 |
ABC6D19E29 |
-264.34 |
7.14 |
-9.44 |
-0.44 |
0 |
|
|
416498 |
135089513 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-85.96 |
1.82 |
-8.65 |
0.03 |
0 |
|
|
416499 |
135089514 |
1 |
N7O7C31H43 |
A7B7C31D43 |
-295.97 |
8.66 |
-9.77 |
-0.73 |
0 |
|
|
416500 |
135089515 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-88.15 |
6.12 |
-9.15 |
-0.83 |
0 |
|
|
416501 |
135089516 |
1 |
SN2O4C13H24 |
AB2C4D13E24 |
-202.23 |
8.19 |
-9.47 |
0.44 |
0 |
|
|
416502 |
135089517 |
1 |
ClFNOC16H21 |
ABCDE16F21 |
-99.57 |
3.4 |
-8.96 |
-0.28 |
0 |
|
|
416503 |
135089519 |
1 |
ClN4O4C21H23 |
AB4C4D21E23 |
-51.0 |
6.41 |
-9.69 |
-0.97 |
0 |
|
|
416504 |
135089520 |
1 |
ON3C22H25 |
AB3C22D25 |
5.51 |
3.2 |
-8.26 |
-0.19 |
0 |
|
|
416505 |
135089522 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-129.56 |
7.25 |
-8.65 |
0.15 |
0 |
|
|
416506 |
135089524 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-123.61 |
5.12 |
-8.63 |
0.06 |
0 |
|
|
416507 |
135089525 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-87.38 |
6.76 |
-9.74 |
-0.75 |
0 |
|
|
416508 |
135089526 |
1 |
ClO3N4C13H17 |
AB3C4D13E17 |
-48.4 |
3.34 |
-9.35 |
-0.52 |
0 |
|
|
416509 |
135089527 |
1 |
O7N9C36H47 |
A7B9C36D47 |
-213.02 |
9.18 |
-9.57 |
-0.79 |
0 |
|
|
416510 |
135089528 |
2 |
NO2C10H11 |
AB2C10D11 |
-118.21 |
4.45 |
-8.68 |
-0.23 |
0 |
|
|
416511 |
135089529 |
1 |
F3N6O6C29H41 |
A3B6C6D29E41 |
-441.09 |
3.21 |
-9.44 |
-0.12 |
0 |
|
|
416512 |
135089530 |
2 |
ON2C8H10 |
AB2C8D10 |
-21.58 |
6.66 |
-9.68 |
-0.12 |
0 |
|
|
416513 |
135089531 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-42.45 |
3.66 |
-9.63 |
-0.2 |
0 |
|
|
416514 |
135089532 |
1 |
ClO2N5C17H22 |
AB2C5D17E22 |
-34.83 |
3.06 |
-8.95 |
0.1 |
0 |
|
|
416515 |
135089536 |
1 |
FN3O3C16H18 |
AB3C3D16E18 |
-125.87 |
5.9 |
-9.45 |
-0.56 |
0 |
|
|
416516 |
135089540 |
1 |
NO2C20H31 |
AB2C20D31 |
-109.59 |
2.84 |
-8.65 |
0.42 |
0 |
|
|
416518 |
135089544 |
1 |
ON5C16H27 |
AB5C16D27 |
-8.57 |
2.68 |
-8.32 |
0.0 |
0 |
|
|
416519 |
135089545 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-30.41 |
4.04 |
-9.24 |
-0.61 |
0 |
|
|
416520 |
135089546 |
1 |
N4C19H32 |
A4B19C32 |
17.03 |
0.88 |
-8.26 |
0.28 |
0 |
|
|
416521 |
135089547 |
1 |
SN4O4C14H24 |
AB4C4D14E24 |
-142.65 |
3.34 |
-9.66 |
-0.06 |
0 |
|
|
416522 |
135089548 |
2 |
NOC11H14 |
ABC11D14 |
-75.99 |
3.46 |
-8.47 |
-0.12 |
0 |
|
|
416523 |
135089549 |
1 |
FN2O3C16H21 |
AB2C3D16E21 |
-137.45 |
5.93 |
-8.91 |
-0.12 |
0 |
|
|
416525 |
135089558 |
1 |
SN4O4C13H20 |
AB4C4D13E20 |
-139.28 |
5.23 |
-9.09 |
-0.37 |
0 |
|
|
416526 |
135089561 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-69.84 |
6.05 |
-9.26 |
-0.64 |
0 |
|
|
416527 |
135089574 |
1 |
NSF3O6C13H14 |
ABC3D6E13F14 |
-391.09 |
2.3 |
-9.75 |
-1.22 |
0 |
|
|
416528 |
135089576 |
1 |
OSN5C16H19 |
ABC5D16E19 |
66.22 |
5.41 |
-9.3 |
-1.33 |
0 |
|
|
416529 |
135089577 |
1 |
ON4C22H30 |
AB4C22D30 |
6.92 |
1.0 |
-8.72 |
-0.2 |
0 |
|
|
416530 |
135089581 |
1 |
O3N4C17H18 |
A3B4C17D18 |
-3.83 |
5.25 |
-10.01 |
-1.5 |
0 |
|
|
416531 |
135089582 |
1 |
N4C19H30 |
A4B19C30 |
31.44 |
4.25 |
-8.7 |
0.22 |
0 |
|
|
416532 |
135089583 |
1 |
FON4C17H19 |
ABC4D17E19 |
-8.64 |
6.03 |
-9.23 |
-1.08 |
0 |
|
|
416534 |
135089585 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-98.88 |
8.82 |
-8.73 |
-0.39 |
0 |
|
|
416535 |
135089586 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-61.53 |
3.95 |
-9.23 |
0.39 |
0 |
|
|
416536 |
135089587 |
1 |
ON5C15H17 |
AB5C15D17 |
59.5 |
3.66 |
-9.32 |
-1.03 |
0 |
|
|
416537 |
135089588 |
1 |
OSN5C19H23 |
ABC5D19E23 |
9.32 |
2.7 |
-8.65 |
-0.77 |
0 |
|
|
416538 |
135089589 |
1 |
N4C25H28 |
A4B25C28 |
70.53 |
4.29 |
-8.63 |
-0.61 |
0 |
|
|
416539 |
135089590 |
1 |
NO2C22H27 |
AB2C22D27 |
-80.07 |
5.96 |
-8.81 |
-0.39 |
0 |
|
|
416540 |
135089591 |
1 |
FSO2N3C15H16 |
ABC2D3E15F16 |
-84.85 |
3.9 |
-9.65 |
-0.64 |
0 |
|
|
416541 |
135089592 |
1 |
F2O2N4C15H16 |
A2B2C4D15E16 |
-118.1 |
4.54 |
-9.55 |
-0.52 |
0 |
|
|
416542 |
135089595 |
1 |
O2S2N3C15H17 |
A2B2C3D15E17 |
-25.42 |
4.47 |
-9.05 |
-0.59 |
0 |
|
|
416543 |
135089596 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-51.54 |
6.13 |
-9.17 |
0.34 |
0 |
|
|
416544 |
135089610 |
1 |
SO2N3C18H23 |
AB2C3D18E23 |
-32.75 |
3.96 |
-9.36 |
-0.45 |
0 |
|
|
416545 |
135089619 |
1 |
NCl2O4H13C14 |
AB2C4D13E14 |
-134.57 |
6.26 |
-9.72 |
-0.76 |
0 |
|
|
416546 |
135089620 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-103.73 |
3.35 |
-9.06 |
0.55 |
0 |
|
|
416547 |
135089653 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-22.36 |
3.46 |
-8.96 |
-0.6 |
0 |
|
|
416548 |
135089654 |
1 |
FSN4O4C16H19 |
ABC4D4E16F19 |
-159.64 |
3.25 |
-9.61 |
-1.03 |
0 |
|
|
416549 |
135089655 |
1 |
SO2N5C21H23 |
AB2C5D21E23 |
-7.66 |
5.76 |
-8.8 |
-1.2 |
0 |
|
|
416550 |
135089656 |
1 |
O3N4C16H20 |
A3B4C16D20 |
-66.38 |
3.38 |
-9.38 |
-0.38 |
0 |
|
|
416551 |
135089657 |
1 |
N2O2C21H32 |
A2B2C21D32 |
-100.34 |
6.07 |
-8.42 |
0.58 |
0 |
|
|
416553 |
135089668 |
1 |
SO7N8C35H42 |
AB7C8D35E42 |
-173.59 |
12.2 |
-9.42 |
-1.5 |
0 |
|
|
416554 |
135089670 |
1 |
ON2C23H26 |
AB2C23D26 |
-7.76 |
1.18 |
-8.26 |
-0.2 |
0 |
|
|
416555 |
135089675 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-85.54 |
7.85 |
-8.91 |
-0.36 |
0 |
|
|
416556 |
135089676 |
1 |
O5N7C37H49 |
A5B7C37D49 |
-176.81 |
7.6 |
-9.47 |
-0.55 |
0 |
|
|
416557 |
135089677 |
2 |
ON2C9H11 |
AB2C9D11 |
-31.55 |
5.85 |
-8.43 |
-0.01 |
0 |
|
|
416558 |
135089678 |
1 |
FN4O4C18H21 |
AB4C4D18E21 |
-126.36 |
4.15 |
-9.21 |
-1.18 |
0 |
|
|
416559 |
135089679 |
2 |
ON2C8H11 |
AB2C8D11 |
-33.61 |
2.96 |
-9.29 |
-0.25 |
0 |
|
|
416560 |
135089681 |
2 |
NOC8H10 |
ABC8D10 |
-56.82 |
6.25 |
-9.5 |
-0.35 |
0 |
|
|
416561 |
135089682 |
1 |
O7N9C44H59 |
A7B9C44D59 |
-246.76 |
6.84 |
-8.21 |
-0.16 |
0 |
|
|
416562 |
135089683 |
1 |
ON7C21H29 |
AB7C21D29 |
12.68 |
3.8 |
-8.61 |
-0.51 |
0 |
|
|
416563 |
135089684 |
1 |
SO2N3C16H23 |
AB2C3D16E23 |
-75.74 |
3.68 |
-8.77 |
-0.45 |
0 |
|
|
416565 |
135089687 |
1 |
ON4C21H28 |
AB4C21D28 |
-9.82 |
6.46 |
-8.9 |
-0.32 |
0 |
|
|
416566 |
135089688 |
1 |
O3N4C16H20 |
A3B4C16D20 |
-22.45 |
3.38 |
-9.63 |
-0.68 |
0 |
|
|
416567 |
135089692 |
1 |
FN3O3C16H18 |
AB3C3D16E18 |
-126.83 |
4.79 |
-9.46 |
-0.55 |
0 |
|
|
416568 |
135089693 |
1 |
FON4C17H23 |
ABC4D17E23 |
-50.72 |
5.93 |
-8.99 |
-0.21 |
0 |
|
|
416569 |
135089694 |
1 |
FN2O2C16H21 |
AB2C2D16E21 |
-49.06 |
3.68 |
-8.86 |
-0.28 |
0 |
|
|
416570 |
135089695 |
1 |
O3N5C19H27 |
A3B5C19D27 |
-58.02 |
4.84 |
-9.48 |
-0.51 |
0 |
|
|
416571 |
135089696 |
1 |
NO5C23H29 |
AB5C23D29 |
-188.04 |
3.46 |
-8.94 |
-0.04 |
0 |
|
|
416572 |
135089697 |
1 |
N3O3C27H29 |
A3B3C27D29 |
-86.51 |
5.76 |
-8.49 |
-0.97 |
0 |
|
|
416573 |
135089698 |
1 |
SN4O4C16H22 |
AB4C4D16E22 |
-128.86 |
2.61 |
-9.36 |
-0.68 |
0 |
|
|
416574 |
135089699 |
1 |
FN2O2H21C23 |
AB2C2D21E23 |
-57.64 |
4.11 |
-9.9 |
-0.69 |
0 |
|
|
416575 |
135089700 |
1 |
N5C18H25 |
A5B18C25 |
71.71 |
2.73 |
-8.98 |
-0.22 |
0 |
|
|
416576 |
135089701 |
1 |
OSN3C20H21 |
ABC3D20E21 |
35.66 |
4.33 |
-8.45 |
-0.35 |
0 |
|
|
416577 |
135089702 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-135.44 |
4.5 |
-8.78 |
-0.81 |
0 |
|
|
416578 |
135089706 |
1 |
N3O5C17H25 |
A3B5C17D25 |
-199.41 |
3.85 |
-9.16 |
0.13 |
0 |
|
|
416579 |
135089715 |
1 |
SN2O2C16H24 |
AB2C2D16E24 |
-80.96 |
3.04 |
-8.75 |
-0.46 |
0 |
|
|
416581 |
135089729 |
1 |
FN2O3H21C22 |
AB2C3D21E22 |
-106.99 |
6.45 |
-9.32 |
-0.7 |
0 |
|
|
416582 |
135089730 |
1 |
ON3C18H25 |
AB3C18D25 |
-2.35 |
6.6 |
-8.57 |
0.29 |
0 |
|
|
416583 |
135089731 |
1 |
ClON4C19H25 |
ABC4D19E25 |
-12.74 |
5.01 |
-8.29 |
-0.26 |
0 |
|
|
416584 |
135089732 |
1 |
O2F3N4C17H19 |
A2B3C4D17E19 |
-177.14 |
6.77 |
-9.1 |
-1.1 |
0 |
|
|
416585 |
135089733 |
1 |
N3O5C18H19 |
A3B5C18D19 |
-108.85 |
9.51 |
-8.86 |
-0.62 |
0 |
|
|
416586 |
135089734 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-102.75 |
4.91 |
-8.98 |
0.49 |
0 |
|
|
416587 |
135089735 |
1 |
SO2N3C20H21 |
AB2C3D20E21 |
7.28 |
6.3 |
-8.93 |
-0.72 |
0 |
|
|
416588 |
135089736 |
1 |
ON6C20H26 |
AB6C20D26 |
55.28 |
8.42 |
-9.18 |
0.18 |
0 |
|
|
416589 |
135089737 |
1 |
SO3N5C17H17 |
AB3C5D17E17 |
-37.45 |
4.75 |
-9.02 |
-0.69 |
0 |
|
|
416590 |
135089738 |
2 |
ON2C8H12 |
AB2C8D12 |
-61.73 |
5.3 |
-8.75 |
-0.33 |
0 |
|
|
416591 |
135089744 |
1 |
SN2O2C13H18 |
AB2C2D13E18 |
-40.18 |
4.38 |
-8.87 |
-0.71 |
0 |
|
|
416592 |
135089757 |
1 |
FOSN3C19H24 |
ABCD3E19F24 |
-41.42 |
3.04 |
-8.56 |
-0.64 |
0 |
|
|
416593 |
135089793 |
1 |
N3O3H19C20 |
A3B3C19D20 |
-51.14 |
3.77 |
-9.56 |
-1.06 |
0 |
|
|
416594 |
135089794 |
1 |
ClN2O4C19H21 |
AB2C4D19E21 |
-135.48 |
5.2 |
-9.11 |
-1.0 |
0 |
|
|
416595 |
135089795 |
1 |
OSN6H16C18 |
ABC6D16E18 |
80.46 |
9.55 |
-8.69 |
-0.73 |
0 |
|
|
416596 |
135089796 |
1 |
O2N3C25H33 |
A2B3C25D33 |
-64.26 |
4.73 |
-8.6 |
-0.55 |
0 |
|
|
416597 |
135089797 |
1 |
NO3C21H33 |
AB3C21D33 |
-130.83 |
1.97 |
-8.1 |
0.24 |
0 |
|
|
416598 |
135089798 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-118.59 |
2.45 |
-9.15 |
0.15 |
0 |
|
|
416599 |
135089799 |
1 |
O2N3C18H21 |
A2B3C18D21 |
-13.87 |
5.68 |
-9.29 |
-0.2 |
0 |
|
|
416601 |
135089801 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-76.89 |
5.26 |
-9.48 |
-0.1 |
0 |
|
|
416602 |
135089802 |
1 |
FN2O3C20H25 |
AB2C3D20E25 |
-146.92 |
4.49 |
-9.61 |
-0.41 |
0 |
|
|
416605 |
135089805 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-63.33 |
2.44 |
-8.76 |
0.63 |
0 |