List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
66451 |
46504595 |
1 |
N5O5H19C23 |
A5B5C19D23 |
-59.94 |
3.88 |
-8.04 |
-1.78 |
0 |
|
|
66452 |
46504597 |
1 |
ClO4N5H16C22 |
AB4C5D16E22 |
-33.19 |
5.02 |
-8.65 |
-1.71 |
0 |
|
|
66453 |
46504598 |
1 |
ClFO3N5H13C21 |
ABC3D5E13F21 |
-40.6 |
4.39 |
-9.05 |
-1.82 |
0 |
|
|
66454 |
46504600 |
1 |
N5O5C23H23 |
A5B5C23D23 |
-114.6 |
6.0 |
-8.99 |
-1.73 |
0 |
|
|
66455 |
46504602 |
1 |
O3N5H17C19 |
A3B5C17D19 |
-14.98 |
5.59 |
-8.98 |
-1.64 |
0 |
|
|
66456 |
46504607 |
1 |
O3N4C27H32 |
A3B4C27D32 |
-78.5 |
8.83 |
-8.49 |
-0.54 |
0 |
|
|
66457 |
46504608 |
1 |
FO3N4H27C28 |
AB3C4D27E28 |
-86.33 |
10.91 |
-8.57 |
-0.71 |
0 |
|
|
66458 |
46504610 |
1 |
N4O5C29H30 |
A4B5C29D30 |
-103.91 |
7.71 |
-8.29 |
-0.69 |
0 |
|
|
66459 |
46504614 |
1 |
N4O5H28C29 |
A4B5C28D29 |
-101.89 |
7.66 |
-8.27 |
-0.69 |
0 |
|
|
66460 |
46504617 |
1 |
O3N5C31H33 |
A3B5C31D33 |
-25.93 |
8.33 |
-8.17 |
-0.72 |
0 |
|
|
66461 |
46504618 |
1 |
O3N4C33H36 |
A3B4C33D36 |
-46.14 |
7.97 |
-8.5 |
-0.58 |
0 |
|
|
66462 |
46504620 |
4 |
NOC6H7 |
ABC6D7 |
-98.29 |
4.37 |
-8.4 |
-0.56 |
0 |
|
|
66463 |
46504621 |
1 |
O3N5C28H37 |
A3B5C28D37 |
-70.97 |
4.07 |
-8.38 |
-0.58 |
0 |
|
|
66464 |
46504622 |
1 |
O3N4C28H34 |
A3B4C28D34 |
-79.93 |
9.58 |
-8.52 |
-0.53 |
0 |
|
|
66465 |
46504624 |
1 |
N4O5H26C28 |
A4B5C26D28 |
-93.24 |
9.93 |
-8.28 |
-0.69 |
0 |
|
|
66466 |
46504626 |
1 |
N5O5C33H35 |
A5B5C33D35 |
-78.86 |
6.13 |
-8.38 |
-0.64 |
0 |
|
|
66467 |
46504627 |
1 |
N4O4C29H30 |
A4B4C29D30 |
-74.33 |
8.7 |
-8.33 |
-0.6 |
0 |
|
|
66468 |
46504632 |
1 |
N3O7H25C27 |
A3B7C25D27 |
-168.86 |
7.87 |
-7.95 |
-0.86 |
0 |
|
|
66469 |
46504633 |
1 |
ClN3O6H22C26 |
AB3C6D22E26 |
-142.44 |
9.45 |
-8.53 |
-0.84 |
0 |
|
|
66470 |
46504635 |
1 |
N3O8H27C28 |
A3B8C27D28 |
-204.15 |
5.55 |
-8.52 |
-0.91 |
0 |
|
|
66471 |
46504637 |
1 |
FN4O5H27C29 |
AB4C5D27E29 |
-131.28 |
4.17 |
-8.89 |
-0.81 |
0 |
|
|
66472 |
46504638 |
1 |
N3O5C31H31 |
A3B5C31D31 |
-112.38 |
4.02 |
-8.95 |
-0.84 |
0 |
|
|
66473 |
46504639 |
1 |
N3O6C24H25 |
A3B6C24D25 |
-172.1 |
6.26 |
-9.06 |
-0.91 |
0 |
|
|
66474 |
46504642 |
1 |
BrON3C23H24 |
ABC3D23E24 |
29.24 |
1.46 |
-8.3 |
-1.02 |
0 |
|
|
66475 |
46504644 |
2 |
N2O2C11H12 |
A2B2C11D12 |
-33.91 |
5.59 |
-8.02 |
-1.4 |
0 |
|
|
66476 |
46504647 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-53.05 |
2.01 |
-7.92 |
-0.65 |
0 |
|
|
66477 |
46504648 |
1 |
N4O4C19H20 |
A4B4C19D20 |
-14.0 |
4.76 |
-8.18 |
-1.92 |
0 |
|
|
66478 |
46504651 |
1 |
OSN3C22H25 |
ABC3D22E25 |
17.62 |
1.82 |
-7.78 |
-0.75 |
0 |
|
|
66479 |
46504655 |
1 |
N4O5H20C24 |
A4B5C20D24 |
-19.3 |
6.83 |
-8.37 |
-1.35 |
0 |
|
|
66480 |
46504657 |
1 |
FON3C23H24 |
ABC3D23E24 |
-39.16 |
2.13 |
-7.94 |
-0.64 |
0 |
|
|
66481 |
46504658 |
1 |
ON3C27H33 |
AB3C27D33 |
-15.9 |
2.65 |
-7.86 |
-0.3 |
0 |
|
|
66482 |
46504659 |
1 |
N3O4C26H31 |
A3B4C26D31 |
-104.02 |
3.79 |
-7.89 |
-0.38 |
0 |
|
|
66483 |
46504660 |
1 |
ON3C27H33 |
AB3C27D33 |
-18.79 |
3.19 |
-7.95 |
-0.38 |
0 |
|
|
66484 |
46504661 |
1 |
ClON3C23H24 |
ABC3D23E24 |
-0.17 |
2.49 |
-7.89 |
-0.71 |
0 |
|
|
66485 |
46504662 |
1 |
ClFON3C23H23 |
ABCD3E23F23 |
-47.6 |
2.06 |
-7.98 |
-0.93 |
0 |
|
|
66486 |
46504663 |
1 |
O2N3C21H23 |
A2B3C21D23 |
-20.6 |
1.32 |
-7.95 |
-0.61 |
0 |
|
|
66487 |
46504666 |
1 |
ClO3N4C23H23 |
AB3C4D23E23 |
-1.52 |
5.55 |
-8.06 |
-1.99 |
0 |
|
|
66488 |
46504667 |
1 |
N3O3C25H29 |
A3B3C25D29 |
-70.53 |
4.7 |
-7.91 |
-0.41 |
0 |
|
|
66489 |
46504672 |
1 |
N3O4C29H37 |
A3B4C29D37 |
-126.06 |
4.28 |
-7.9 |
-0.34 |
0 |
|
|
66490 |
46504674 |
1 |
O2N3C30H37 |
A2B3C30D37 |
-43.28 |
4.2 |
-7.8 |
-0.64 |
0 |
|
|
66491 |
46504676 |
1 |
O2N3C27H31 |
A2B3C27D31 |
-26.3 |
5.16 |
-7.82 |
-0.6 |
0 |
|
|
66492 |
46504678 |
1 |
FNOH12C16 |
ABCD12E16 |
-29.01 |
1.13 |
-8.82 |
-1.16 |
0 |
|
|
66493 |
46504679 |
1 |
FNO2H12C16 |
ABC2D12E16 |
-60.64 |
1.6 |
-8.7 |
-1.16 |
0 |
|
|
66494 |
46504680 |
1 |
FNOH16C18 |
ABCD16E18 |
-37.04 |
0.5 |
-8.93 |
-1.0 |
0 |
|
|
66495 |
46504683 |
1 |
FNO2H14C17 |
ABC2D14E17 |
-64.43 |
1.93 |
-8.8 |
-0.86 |
0 |
|
|
66496 |
46504684 |
1 |
FNO3H14C17 |
ABC3D14E17 |
-96.13 |
1.94 |
-8.41 |
-1.25 |
0 |
|
|
66497 |
46504687 |
1 |
BrFNOH9C15 |
ABCDE9F15 |
-16.55 |
2.39 |
-9.07 |
-1.44 |
0 |
|
|
66498 |
46504689 |
1 |
FNOH14C17 |
ABCD14E17 |
-31.81 |
0.73 |
-8.93 |
-1.01 |
0 |
|
|
66499 |
46504691 |
1 |
FNOH10C15 |
ABCD10E15 |
-18.57 |
0.66 |
-8.93 |
-1.24 |
0 |
|
|
66500 |
46504693 |
1 |
FNOCl2H8C15 |
ABCD2E8F15 |
-35.71 |
0.48 |
-9.02 |
-1.14 |
0 |
|
|
66501 |
46504695 |
1 |
BrNOH18C19 |
ABCD18E19 |
7.12 |
0.67 |
-8.95 |
-1.01 |
0 |
|
|
66502 |
46504696 |
1 |
BrNOH16C18 |
ABCD16E18 |
12.02 |
0.52 |
-8.96 |
-1.02 |
0 |
|
|
66503 |
46504697 |
1 |
BrClNOH9C15 |
ABCDE9F15 |
20.76 |
1.24 |
-9.02 |
-1.33 |
0 |
|
|
66504 |
46504698 |
1 |
BrNO2H14C17 |
ABC2D14E17 |
-18.03 |
3.06 |
-8.7 |
-1.1 |
0 |
|
|
66505 |
46504699 |
1 |
BrNO2H14C17 |
ABC2D14E17 |
-16.43 |
1.83 |
-8.85 |
-1.0 |
0 |
|
|
66506 |
46504703 |
1 |
BrNO3H14C17 |
ABC3D14E17 |
-46.89 |
2.07 |
-8.41 |
-1.28 |
0 |
|
|
66507 |
46504704 |
1 |
NOBr2H9C15 |
ABC2D9E15 |
32.68 |
2.26 |
-9.09 |
-1.43 |
0 |
|
|
66508 |
46504705 |
1 |
BrClNOH9C15 |
ABCDE9F15 |
20.5 |
2.16 |
-9.06 |
-1.43 |
0 |
|
|
66509 |
46504708 |
1 |
N3O4C22H23 |
A3B4C22D23 |
-117.1 |
2.87 |
-8.61 |
-0.56 |
0 |
|
|
66510 |
46504710 |
1 |
BrSN2F3O4H18C20 |
ABC2D3E4F18G20 |
-280.4 |
10.68 |
-9.18 |
-1.03 |
0 |
|
|
66511 |
46504711 |
1 |
BrClSN3O4C23H25 |
ABCD3E4F23G25 |
-116.0 |
9.69 |
-8.74 |
-0.82 |
0 |
|
|
66512 |
46504712 |
1 |
BrSN2O6C22H23 |
ABC2D6E22F23 |
-187.58 |
8.17 |
-8.59 |
-0.85 |
0 |
|
|
66513 |
46504713 |
1 |
BrSN2O4C21H27 |
ABC2D4E21F27 |
-155.99 |
10.07 |
-9.08 |
-0.9 |
0 |
|
|
66514 |
46504714 |
1 |
BrSN2O4C23H25 |
ABC2D4E23F25 |
-135.5 |
12.35 |
-8.68 |
-0.94 |
0 |
|
|
66515 |
46504716 |
1 |
BrClSN2O4C21H22 |
ABCD2E4F21G22 |
-136.39 |
10.16 |
-9.12 |
-0.96 |
0 |
|
|
66516 |
46504717 |
1 |
BrSN2O4C20H27 |
ABC2D4E20F27 |
-169.29 |
6.24 |
-8.97 |
-0.78 |
0 |
|
|
66517 |
46504719 |
1 |
BrSN2O4C21H23 |
ABC2D4E21F23 |
-121.77 |
6.86 |
-8.84 |
-0.83 |
0 |
|
|
66518 |
46504720 |
1 |
BrSN2O4C21H23 |
ABC2D4E21F23 |
-130.13 |
9.71 |
-8.7 |
-0.95 |
0 |
|
|
66519 |
46504727 |
1 |
BrClSN3O4C23H25 |
ABCD3E4F23G25 |
-122.65 |
9.17 |
-8.54 |
-0.91 |
0 |
|
|
66520 |
46504728 |
1 |
BrSN3O4C25H30 |
ABC3D4E25F30 |
-130.75 |
7.42 |
-8.44 |
-0.85 |
0 |
|
|
66521 |
46504731 |
1 |
BrSN2O4C16H21 |
ABC2D4E16F21 |
-158.03 |
6.41 |
-8.99 |
-0.81 |
0 |
|
|
66522 |
46504732 |
1 |
SBr2N2O4C20H20 |
AB2C2D4E20F20 |
-128.69 |
8.27 |
-8.83 |
-0.87 |
0 |
|
|
66523 |
46504733 |
1 |
BrClSN2O4C20H20 |
ABCD2E4F20G20 |
-132.68 |
12.07 |
-8.73 |
-0.98 |
0 |
|
|
66524 |
46504734 |
1 |
BrSN2O4C18H25 |
ABC2D4E18F25 |
-168.25 |
7.74 |
-8.98 |
-0.8 |
0 |
|
|
66525 |
46504735 |
1 |
BrSN2O4C24H25 |
ABC2D4E24F25 |
-106.12 |
6.97 |
-9.04 |
-0.78 |
0 |
|
|
66526 |
46504736 |
1 |
BrSN3O5C25H28 |
ABC3D5E25F28 |
-157.83 |
11.62 |
-8.62 |
-0.91 |
0 |
|
|
66527 |
46504737 |
1 |
BrSN3O4C24H28 |
ABC3D4E24F28 |
-115.35 |
11.58 |
-8.93 |
-0.92 |
0 |
|
|
66528 |
46504738 |
1 |
BrSN2O5C21H21 |
ABC2D5E21F21 |
-158.93 |
13.72 |
-8.88 |
-1.03 |
0 |
|
|
66529 |
46504739 |
1 |
BrSN4O4C22H25 |
ABC4D4E22F25 |
-106.8 |
11.35 |
-8.46 |
-1.03 |
0 |
|
|
66530 |
46504744 |
1 |
BrSN3O4C25H30 |
ABC3D4E25F30 |
-129.03 |
9.25 |
-8.91 |
-0.9 |
0 |
|
|
66531 |
46504746 |
1 |
BrSN2F3O4H18C20 |
ABC2D3E4F18G20 |
-299.71 |
7.19 |
-8.95 |
-0.81 |
0 |
|
|
66532 |
46504748 |
1 |
BrClSN2O5C20H20 |
ABCD2E5F20G20 |
-165.51 |
3.53 |
-8.6 |
-1.09 |
0 |
|
|
66533 |
46504750 |
1 |
BrSN2O5C18H25 |
ABC2D5E18F25 |
-200.74 |
7.75 |
-9.02 |
-0.84 |
0 |
|
|
66534 |
46504751 |
1 |
BrSN3O5C24H28 |
ABC3D5E24F28 |
-148.09 |
5.95 |
-8.18 |
-0.79 |
0 |
|
|
66535 |
46504752 |
1 |
BrSN2O5C21H23 |
ABC2D5E21F23 |
-164.0 |
9.97 |
-8.47 |
-0.82 |
0 |
|
|
66536 |
46504756 |
1 |
SBr2N2O4C20H20 |
AB2C2D4E20F20 |
-124.19 |
13.19 |
-8.96 |
-1.08 |
0 |
|
|
66537 |
46504757 |
1 |
BrFSN3O4C23H25 |
ABCD3E4F23G25 |
-156.03 |
7.98 |
-9.02 |
-0.82 |
0 |
|
|
66538 |
46504758 |
1 |
BrSN2O4C21H31 |
ABC2D4E21F31 |
-182.35 |
6.44 |
-8.98 |
-0.79 |
0 |
|
|
66539 |
46504759 |
1 |
BrClFSN2O4H17C19 |
ABCDE2F4G17H19 |
-172.33 |
11.31 |
-8.87 |
-1.02 |
0 |
|
|
66540 |
46504760 |
1 |
BrSN2F3O5H18C20 |
ABC2D3E5F18G20 |
-322.88 |
3.66 |
-9.24 |
-1.18 |
0 |
|
|
66541 |
46504761 |
1 |
BrSN3O4C25H30 |
ABC3D4E25F30 |
-128.52 |
6.45 |
-8.38 |
-0.81 |
0 |
|
|
66542 |
46504762 |
1 |
BrSN3O4C24H30 |
ABC3D4E24F30 |
-139.01 |
9.31 |
-7.58 |
-1.0 |
0 |
|
|
66543 |
46504763 |
1 |
BrSN2O4C19H25 |
ABC2D4E19F25 |
-161.66 |
5.68 |
-8.97 |
-0.78 |
0 |
|
|
66544 |
46504764 |
1 |
BrSN2O4C20H21 |
ABC2D4E20F21 |
-128.76 |
7.79 |
-8.78 |
-0.88 |
0 |
|
|
66545 |
46504765 |
1 |
BrClSN2O4H18C19 |
ABCD2E4F18G19 |
-131.58 |
14.79 |
-8.71 |
-1.18 |
0 |
|
|
66546 |
46504767 |
1 |
BrSN2O5C17H21 |
ABC2D5E17F21 |
-180.97 |
8.23 |
-9.06 |
-0.82 |
0 |
|
|
66547 |
46504770 |
1 |
BrSN2O4C17H23 |
ABC2D4E17F23 |
-162.7 |
6.64 |
-8.98 |
-0.79 |
0 |
|
|
66548 |
46504772 |
1 |
BrSN3O4C24H30 |
ABC3D4E24F30 |
-125.87 |
12.79 |
-7.86 |
-0.91 |
0 |
|
|
66549 |
46504777 |
1 |
BrClSN2O4C20H20 |
ABCD2E4F20G20 |
-131.46 |
14.29 |
-9.13 |
-1.11 |
0 |
|
|
66550 |
46504780 |
1 |
BrSN2O5C19H21 |
ABC2D5E19F21 |
-145.85 |
8.43 |
-8.05 |
-0.73 |
0 |