List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
279600 |
103844437 |
1 |
ON2C17H24 |
AB2C17D24 |
-30.41 |
3.7 |
-8.43 |
-0.42 |
0 |
|
|
279601 |
103844438 |
1 |
FON3C11H18 |
ABC3D11E18 |
-71.91 |
2.99 |
-9.08 |
-0.51 |
0 |
|
|
279602 |
103844440 |
1 |
ON5C9H19 |
AB5C9D19 |
10.22 |
7.49 |
-9.63 |
-0.12 |
0 |
|
|
279603 |
103844441 |
1 |
O3N4C14H26 |
A3B4C14D26 |
-149.5 |
6.34 |
-8.85 |
-0.4 |
0 |
|
|
279604 |
103844443 |
1 |
ON4C11H20 |
AB4C11D20 |
-25.13 |
1.47 |
-8.69 |
-0.38 |
0 |
|
|
279605 |
103844446 |
1 |
O3N4C11H20 |
A3B4C11D20 |
-38.22 |
7.8 |
-9.19 |
-0.57 |
0 |
|
|
279606 |
103844447 |
1 |
BrON2C12H19 |
ABC2D12E19 |
-34.0 |
4.26 |
-8.88 |
-0.44 |
0 |
|
|
279607 |
103844451 |
1 |
BrNOC10H12 |
ABCD10E12 |
-11.15 |
5.4 |
-9.15 |
-0.48 |
0 |
|
|
279608 |
103844454 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-55.17 |
3.95 |
-8.91 |
-0.53 |
0 |
|
|
279609 |
103844455 |
2 |
OC9H11 |
AB9C11 |
-72.85 |
2.45 |
-8.68 |
0.16 |
0 |
|
|
279610 |
103844456 |
1 |
NO3C12H13 |
AB3C12D13 |
-42.3 |
3.09 |
-9.11 |
-0.3 |
0 |
|
|
279611 |
103844461 |
1 |
ClNO4H14C15 |
ABC4D14E15 |
-54.51 |
5.51 |
-9.14 |
-1.59 |
0 |
|
|
279612 |
103844462 |
1 |
NO3C15H21 |
AB3C15D21 |
-96.64 |
4.76 |
-9.08 |
-0.17 |
0 |
|
|
279613 |
103844463 |
1 |
ClNO3C16H16 |
ABC3D16E16 |
-94.93 |
2.91 |
-9.25 |
-0.43 |
0 |
|
|
279614 |
103844467 |
1 |
FNO4H14C15 |
ABC4D14E15 |
-97.33 |
3.81 |
-9.09 |
-1.72 |
0 |
|
|
279615 |
103844468 |
1 |
ClFO2H14C15 |
ABC2D14E15 |
-101.83 |
1.25 |
-9.0 |
-0.61 |
0 |
|
|
279616 |
103844469 |
1 |
O2C13H20 |
A2B13C20 |
-93.59 |
3.47 |
-8.73 |
0.14 |
0 |
|
|
279617 |
103844472 |
1 |
O3C13H20 |
A3B13C20 |
-125.46 |
4.63 |
-8.67 |
0.2 |
0 |
|
|
279618 |
103844474 |
1 |
SO4C12H18 |
AB4C12D18 |
-162.85 |
7.66 |
-8.87 |
0.02 |
0 |
|
|
279619 |
103844476 |
1 |
NO3C15H23 |
AB3C15D23 |
-137.35 |
4.0 |
-9.12 |
-0.18 |
0 |
|
|
279620 |
103844477 |
1 |
NO3C13H19 |
AB3C13D19 |
-124.29 |
1.93 |
-9.13 |
-0.18 |
0 |
|
|
279621 |
103844484 |
2 |
NOC8H8 |
ABC8D8 |
-10.54 |
4.81 |
-8.83 |
-0.69 |
0 |
|
|
279622 |
103844490 |
1 |
O2F3H15C16 |
A2B3C15D16 |
-207.37 |
2.93 |
-9.05 |
-0.74 |
0 |
|
|
279623 |
103844491 |
1 |
O2C17H20 |
A2B17C20 |
-64.21 |
2.81 |
-8.74 |
0.13 |
0 |
|
|
279624 |
103844493 |
1 |
F3O3C13H17 |
A3B3C13D17 |
-277.83 |
5.53 |
-8.78 |
0.12 |
0 |
|
|
279625 |
103844494 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-38.99 |
4.73 |
-8.74 |
0.14 |
0 |
|
|
279626 |
103844495 |
1 |
SO4C13H20 |
AB4C13D20 |
-167.03 |
7.47 |
-8.64 |
0.26 |
0 |
|
|
279627 |
103844496 |
1 |
ClNO4H14C15 |
ABC4D14E15 |
-58.46 |
3.41 |
-9.1 |
-1.8 |
0 |
|
|
279628 |
103844498 |
1 |
NO3C16H17 |
AB3C16D17 |
-86.35 |
3.78 |
-8.88 |
-0.53 |
0 |
|
|
279629 |
103844509 |
1 |
ClN2O2C14H17 |
AB2C2D14E17 |
-40.2 |
2.85 |
-8.82 |
0.05 |
0 |
|
|
279630 |
103844516 |
1 |
NO4C15H15 |
AB4C15D15 |
-48.51 |
5.31 |
-9.05 |
-1.48 |
0 |
|
|
279631 |
103844519 |
1 |
O2F3H15C16 |
A2B3C15D16 |
-206.7 |
3.59 |
-8.97 |
-0.76 |
0 |
|
|
279632 |
103844521 |
1 |
NO3C11H15 |
AB3C11D15 |
-112.15 |
3.78 |
-9.15 |
-0.2 |
0 |
|
|
279633 |
103844522 |
1 |
O2F3C11H13 |
A2B3C11D13 |
-239.22 |
2.18 |
-9.08 |
-0.14 |
0 |
|
|
279634 |
103844523 |
1 |
NO3C17H25 |
AB3C17D25 |
-135.74 |
3.78 |
-9.11 |
-0.16 |
0 |
|
|
279635 |
103844525 |
1 |
NO4C15H21 |
AB4C15D21 |
-164.51 |
2.31 |
-9.2 |
-0.24 |
0 |
|
|
279636 |
103844534 |
1 |
BrO3C16H17 |
AB3C16D17 |
-82.7 |
4.27 |
-8.8 |
-0.31 |
0 |
|
|
279637 |
103844535 |
1 |
NSO2C15H19 |
ABC2D15E19 |
-50.48 |
2.86 |
-8.88 |
-0.48 |
0 |
|
|
279638 |
103844536 |
1 |
O2C17H20 |
A2B17C20 |
-62.41 |
1.84 |
-8.75 |
0.11 |
0 |
|
|
279639 |
103844541 |
1 |
NO3C14H19 |
AB3C14D19 |
-113.74 |
4.3 |
-9.1 |
-0.18 |
0 |
|
|
279640 |
103844542 |
1 |
BrNO3C16H16 |
ABC3D16E16 |
-82.55 |
3.84 |
-9.1 |
-0.48 |
0 |
|
|
279641 |
103844544 |
1 |
NO3C13H19 |
AB3C13D19 |
-127.9 |
3.54 |
-9.12 |
-0.17 |
0 |
|
|
279642 |
103844546 |
1 |
F2O2H14C15 |
A2B2C14D15 |
-139.31 |
0.94 |
-8.99 |
-0.49 |
0 |
|
|
279643 |
103844550 |
1 |
O3C14H22 |
A3B14C22 |
-137.23 |
3.4 |
-8.79 |
0.11 |
0 |
|
|
279644 |
103844559 |
1 |
NO2H15C16 |
AB2C15D16 |
-12.22 |
4.37 |
-9.0 |
-0.85 |
0 |
|
|
279645 |
103844561 |
1 |
NSO2C12H13 |
ABC2D12E13 |
-31.17 |
1.23 |
-9.06 |
-0.6 |
0 |
|
|
279646 |
103844562 |
1 |
O2H18C19 |
A2B18C19 |
-26.82 |
2.06 |
-8.84 |
-0.58 |
0 |
|
|
279647 |
103844564 |
1 |
NSO2C13H15 |
ABC2D13E15 |
-41.12 |
4.28 |
-8.91 |
-0.6 |
0 |
|
|
279648 |
103844565 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-54.47 |
3.39 |
-8.91 |
-0.56 |
0 |
|
|
279649 |
103844566 |
1 |
NF3O3C12H14 |
AB3C3D12E14 |
-273.61 |
2.2 |
-9.3 |
-0.32 |
0 |