List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
26623 |
793949 |
1 |
ClNO2H16C17 |
ABC2D16E17 |
-40.91 |
3.67 |
-8.74 |
-0.41 |
0 |
|
|
26624 |
793962 |
1 |
N3O4C17H21 |
A3B4C17D21 |
-117.3 |
2.87 |
-8.73 |
-0.17 |
0 |
|
|
26625 |
794097 |
1 |
ClN2O2C14H17 |
AB2C2D14E17 |
-69.32 |
2.19 |
-9.59 |
-0.7 |
0 |
|
|
26626 |
794099 |
1 |
OSN4C16H16 |
ABC4D16E16 |
109.31 |
6.43 |
-8.43 |
-1.35 |
0 |
|
|
26627 |
794100 |
1 |
ClN2O3H13C15 |
AB2C3D13E15 |
-25.09 |
3.42 |
-9.01 |
-1.63 |
0 |
|
|
26628 |
794125 |
1 |
NOC17H21 |
ABC17D21 |
-24.79 |
4.92 |
-8.65 |
-0.01 |
0 |
|
|
26629 |
794127 |
1 |
NO5C17H17 |
AB5C17D17 |
-105.95 |
6.16 |
-8.7 |
-0.98 |
0 |
|
|
26630 |
794153 |
1 |
PO3C17H19 |
AB3C17D19 |
-122.65 |
3.37 |
-9.76 |
-0.2 |
0 |
|
|
26631 |
794243 |
1 |
O3N5C12H13 |
A3B5C12D13 |
-10.21 |
5.17 |
-8.59 |
-1.04 |
0 |
|
|
26632 |
794378 |
1 |
BrON2H13C15 |
ABC2D13E15 |
36.79 |
3.48 |
-9.19 |
-0.86 |
0 |
|
|
26633 |
794380 |
1 |
SCl2N2O2C12H12 |
AB2C2D2E12F12 |
-45.06 |
5.14 |
-9.44 |
-1.55 |
0 |
|
|
26634 |
794383 |
1 |
SN2O3C16H16 |
AB2C3D16E16 |
-58.06 |
9.15 |
-9.12 |
-1.21 |
0 |
|
|
26635 |
794390 |
1 |
NOC18H19 |
ABC18D19 |
-9.77 |
6.23 |
-8.52 |
-0.72 |
0 |
|
|
26636 |
794392 |
1 |
N3H17C21 |
A3B17C21 |
113.78 |
1.94 |
-7.91 |
-0.47 |
0 |
|
|
26637 |
794396 |
1 |
N3O3C13H15 |
A3B3C13D15 |
-9.59 |
3.11 |
-8.95 |
-0.71 |
0 |
|
|
26638 |
794398 |
2 |
NOC7H9 |
ABC7D9 |
-62.2 |
8.06 |
-9.16 |
-0.51 |
0 |
|
|
26639 |
794403 |
1 |
NO4C11H15 |
AB4C11D15 |
-98.47 |
5.05 |
-9.96 |
-0.76 |
0 |
|
|
26640 |
794410 |
1 |
NSO2C14H21 |
ABC2D14E21 |
-91.53 |
5.62 |
-9.26 |
-0.26 |
0 |
|
|
26641 |
794412 |
1 |
NO2C13H19 |
AB2C13D19 |
-64.73 |
2.92 |
-8.73 |
-0.33 |
0 |
|
|
26642 |
794413 |
1 |
NSO2C15H23 |
ABC2D15E23 |
-93.23 |
7.62 |
-9.09 |
-0.35 |
0 |
|
|
26643 |
794418 |
1 |
SN2O4C14H14 |
AB2C4D14E14 |
-108.3 |
3.13 |
-9.5 |
-1.25 |
0 |
|
|
26644 |
794419 |
1 |
SN2O2C13H20 |
AB2C2D13E20 |
-67.06 |
8.26 |
-8.71 |
-0.49 |
0 |
|
|
26645 |
794424 |
1 |
SN2O2H14C15 |
AB2C2D14E15 |
-16.82 |
7.91 |
-9.18 |
-0.85 |
0 |
|
|
26646 |
794425 |
1 |
ClN2O2H11C14 |
AB2C2D11E14 |
-10.06 |
1.16 |
-9.11 |
-1.03 |
0 |
|
|
26647 |
794432 |
1 |
OCl2N3H11C14 |
AB2C3D11E14 |
23.99 |
2.94 |
-9.0 |
-1.0 |
0 |
|
|
26648 |
794448 |
2 |
ClNOH5C7 |
ABCD5E7 |
39.8 |
6.06 |
-9.66 |
-1.42 |
0 |
|
|
26649 |
794453 |
2 |
NO2H7C9 |
AB2C7D9 |
-21.23 |
7.19 |
-9.26 |
-1.44 |
0 |
|
|
26650 |
794457 |
1 |
FNSO3C13H18 |
ABCD3E13F18 |
-162.94 |
5.15 |
-9.3 |
-0.63 |
0 |
|
|
26651 |
794458 |
1 |
ClN2O2H17C18 |
AB2C2D17E18 |
-49.63 |
4.72 |
-9.09 |
-0.34 |
0 |
|
|
26652 |
794464 |
1 |
SN2O4C13H14 |
AB2C4D13E14 |
-130.88 |
7.8 |
-8.94 |
-0.92 |
0 |
|
|
26653 |
794468 |
1 |
BrN2O2H13C16 |
AB2C2D13E16 |
-24.37 |
4.13 |
-9.01 |
-0.6 |
0 |
|
|
26654 |
794469 |
1 |
BrN2O2H13C16 |
AB2C2D13E16 |
-24.49 |
3.69 |
-8.95 |
-0.67 |
0 |
|
|
26655 |
794471 |
1 |
NOC17H25 |
ABC17D25 |
-59.97 |
4.78 |
-9.2 |
0.11 |
0 |
|
|
26656 |
794474 |
1 |
NO3H15C16 |
AB3C15D16 |
-68.48 |
3.72 |
-8.77 |
-0.21 |
0 |
|
|
26657 |
794477 |
1 |
O2N3H19C21 |
A2B3C19D21 |
-19.13 |
6.38 |
-8.91 |
-0.48 |
0 |
|
|
26658 |
794478 |
1 |
O4H5N5C10 |
A4B5C5D10 |
-6.45 |
4.49 |
-10.41 |
-2.62 |
0 |
|
|
26659 |
794485 |
1 |
NO4H15C16 |
AB4C15D16 |
-51.94 |
10.13 |
-9.65 |
-1.35 |
0 |
|
|
26660 |
794489 |
1 |
ClO2N3H8C14 |
AB2C3D8E14 |
92.31 |
3.38 |
-9.84 |
-1.93 |
0 |
|
|
26661 |
794491 |
1 |
SN2O4C11H12 |
AB2C4D11E12 |
-92.54 |
6.85 |
-9.18 |
-1.13 |
0 |
|
|
26662 |
794493 |
1 |
SN2O4C13H16 |
AB2C4D13E16 |
-106.06 |
8.99 |
-9.06 |
-1.08 |
0 |
|
|
26663 |
794495 |
1 |
SN2O4C14H18 |
AB2C4D14E18 |
-112.61 |
6.2 |
-9.09 |
-1.04 |
0 |
|
|
26664 |
794509 |
1 |
BrNSO2C13H18 |
ABCD2E13F18 |
-81.57 |
4.99 |
-9.53 |
-0.72 |
0 |
|
|
26665 |
794514 |
1 |
SN2O2C12H14 |
AB2C2D12E14 |
-52.64 |
3.33 |
-9.57 |
-1.39 |
0 |
|
|
26666 |
794515 |
1 |
NOS2C11H11 |
ABC2D11E11 |
15.59 |
4.56 |
-9.06 |
-0.46 |
0 |
|
|
26667 |
794516 |
1 |
OSN2C20H22 |
ABC2D20E22 |
4.33 |
9.13 |
-8.72 |
-0.93 |
0 |
|
|
26668 |
794529 |
1 |
O3H7N7C10 |
A3B7C7D10 |
77.19 |
6.0 |
-10.19 |
-1.94 |
0 |
|
|
26669 |
794533 |
1 |
NO2C11H15 |
AB2C11D15 |
-83.63 |
8.05 |
-9.47 |
0.05 |
0 |
|
|
26670 |
794535 |
1 |
ON3C16H17 |
AB3C16D17 |
29.12 |
8.18 |
-8.3 |
-0.62 |
0 |
|
|
26671 |
794548 |
1 |
ON2H18C22 |
AB2C18D22 |
69.71 |
3.44 |
-8.86 |
-0.62 |
0 |
|
|
26672 |
794556 |
1 |
SCl2N2O2H10C13 |
AB2C2D2E10F13 |
-41.74 |
2.58 |
-9.12 |
-1.84 |
0 |