List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
367392 |
127324424 |
1 |
FO2N4C20H27 |
AB2C4D20E27 |
-95.59 |
6.14 |
-9.04 |
-0.52 |
0 |
|
|
367393 |
127324425 |
1 |
O2N4C21H30 |
A2B4C21D30 |
-56.56 |
2.03 |
-9.07 |
-0.13 |
0 |
|
|
367394 |
127324426 |
2 |
ON2C9H15 |
AB2C9D15 |
-72.16 |
3.3 |
-9.04 |
0.89 |
0 |
|
|
367395 |
127324427 |
1 |
ClO2N3C20H26 |
AB2C3D20E26 |
-57.74 |
1.56 |
-9.04 |
-0.96 |
0 |
|
|
367396 |
127324428 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-86.79 |
5.54 |
-8.88 |
0.19 |
0 |
|
|
367397 |
127324429 |
1 |
SO2N4C18H26 |
AB2C4D18E26 |
-49.21 |
2.36 |
-9.06 |
-0.6 |
0 |
|
|
367398 |
127324478 |
2 |
ON2C10H14 |
AB2C10D14 |
-55.87 |
4.32 |
-9.06 |
-0.33 |
0 |
|
|
367399 |
127324479 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-79.47 |
2.56 |
-9.0 |
0.9 |
0 |
|
|
367400 |
127324480 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-87.02 |
3.34 |
-8.87 |
-0.46 |
0 |
|
|
367401 |
127324481 |
1 |
SO3N4C14H26 |
AB3C4D14E26 |
-118.41 |
4.09 |
-8.97 |
0.32 |
0 |
|
|
367402 |
127324482 |
1 |
ON6C19H26 |
AB6C19D26 |
36.5 |
4.72 |
-8.95 |
-0.91 |
0 |
|
|
367403 |
127324483 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-47.84 |
2.66 |
-8.84 |
-0.33 |
0 |
|
|
367404 |
127324484 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-88.24 |
2.1 |
-9.06 |
0.98 |
0 |
|
|
367405 |
127324485 |
1 |
ON5C20H27 |
AB5C20D27 |
27.45 |
6.41 |
-9.06 |
-0.64 |
0 |
|
|
367406 |
127324562 |
1 |
SO3N5C18H27 |
AB3C5D18E27 |
-80.05 |
6.05 |
-8.91 |
-0.42 |
0 |
|
|
367407 |
127324563 |
1 |
O2N5C16H29 |
A2B5C16D29 |
-78.13 |
4.56 |
-9.0 |
0.85 |
0 |
|
|
367408 |
127324564 |
1 |
OSN5C16H25 |
ABC5D16E25 |
-0.42 |
2.62 |
-8.65 |
-0.27 |
0 |
|
|
367409 |
127324565 |
1 |
ON5C22H31 |
AB5C22D31 |
15.54 |
1.82 |
-8.9 |
-0.13 |
0 |
|
|
367410 |
127324566 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-84.04 |
2.29 |
-9.05 |
1.07 |
0 |
|
|
367411 |
127324567 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-64.95 |
4.33 |
-9.04 |
0.93 |
0 |
|
|
367412 |
127324568 |
1 |
O3N4C18H30 |
A3B4C18D30 |
-123.55 |
3.19 |
-9.01 |
0.67 |
0 |
|
|
367413 |
127324569 |
1 |
O2N4C13H22 |
A2B4C13D22 |
-76.48 |
5.59 |
-9.12 |
0.73 |
0 |
|
|
367414 |
127324576 |
1 |
O2N5C20H35 |
A2B5C20D35 |
-82.11 |
3.36 |
-8.93 |
0.96 |
0 |
|
|
367415 |
127324577 |
1 |
ClO2N4C19H25 |
AB2C4D19E25 |
-51.45 |
4.38 |
-9.14 |
-0.7 |
0 |
|
|
367416 |
127324578 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-87.27 |
2.33 |
-8.99 |
0.94 |
0 |
|
|
367417 |
127324579 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-54.85 |
1.67 |
-9.04 |
0.13 |
0 |
|
|
367418 |
127324580 |
1 |
FO2N4C20H27 |
AB2C4D20E27 |
-97.81 |
4.23 |
-9.14 |
-0.38 |
0 |
|
|
367419 |
127324581 |
1 |
ON5C20H27 |
AB5C20D27 |
3.35 |
3.74 |
-8.55 |
0.05 |
0 |
|
|
367420 |
127324582 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-82.45 |
2.98 |
-8.57 |
0.22 |
0 |
|
|
367421 |
127324583 |
2 |
ON2C10H13 |
AB2C10D13 |
-19.27 |
1.64 |
-9.0 |
-0.78 |
0 |
|
|
367422 |
127324584 |
1 |
ON4C14H22 |
AB4C14D22 |
-11.19 |
2.82 |
-9.12 |
0.89 |
0 |
|
|
367423 |
127324585 |
1 |
O2N6C19H30 |
A2B6C19D30 |
-42.79 |
3.93 |
-8.85 |
0.08 |
0 |
|
|
367424 |
127324586 |
1 |
ON6C17H24 |
AB6C17D24 |
8.35 |
2.06 |
-8.87 |
0.46 |
0 |
|
|
367425 |
127324587 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-68.18 |
3.46 |
-8.7 |
0.04 |
0 |
|
|
367426 |
127324588 |
1 |
SO2N6C16H22 |
AB2C6D16E22 |
-15.24 |
2.6 |
-9.58 |
-0.69 |
0 |
|
|
367427 |
127324589 |
1 |
ON6C16H26 |
AB6C16D26 |
-14.5 |
1.71 |
-8.93 |
0.51 |
0 |
|
|
367428 |
127324590 |
1 |
O2N7C17H25 |
A2B7C17D25 |
-9.1 |
3.13 |
-9.61 |
0.4 |
0 |
|
|
367429 |
127324607 |
1 |
O2N6C21H28 |
A2B6C21D28 |
-37.54 |
4.03 |
-9.38 |
-0.25 |
0 |
|
|
367430 |
127324608 |
1 |
ON6C18H30 |
AB6C18D30 |
-27.57 |
4.0 |
-9.13 |
0.51 |
0 |
|
|
367431 |
127324609 |
1 |
OSN5C19H23 |
ABC5D19E23 |
30.25 |
7.51 |
-8.73 |
-0.6 |
0 |
|
|
367432 |
127324610 |
1 |
ON5C17H29 |
AB5C17D29 |
-40.71 |
3.25 |
-9.32 |
0.53 |
0 |
|
|
367433 |
127324611 |
1 |
OF3N6C15H23 |
AB3C6D15E23 |
-176.11 |
2.8 |
-9.37 |
0.34 |
0 |
|
|
367434 |
127324612 |
1 |
ON5C19H25 |
AB5C19D25 |
4.87 |
2.9 |
-9.47 |
0.24 |
0 |
|
|
367435 |
127324613 |
1 |
ON6C18H24 |
AB6C18D24 |
14.45 |
3.33 |
-9.59 |
-0.13 |
0 |
|
|
367436 |
127324614 |
1 |
OSN5C17H23 |
ABC5D17E23 |
10.1 |
2.48 |
-9.09 |
-0.16 |
0 |
|
|
367437 |
127324615 |
1 |
O3N6C18H28 |
A3B6C18D28 |
-102.46 |
1.84 |
-9.33 |
0.48 |
0 |
|
|
367438 |
127324616 |
1 |
ON6C19H26 |
AB6C19D26 |
7.33 |
1.74 |
-8.54 |
0.27 |
0 |
|
|
367439 |
127324617 |
1 |
ON7C15H23 |
AB7C15D23 |
34.41 |
3.89 |
-9.57 |
0.3 |
0 |
|
|
367440 |
127324623 |
1 |
O2N7C18H27 |
A2B7C18D27 |
-16.73 |
1.49 |
-9.42 |
-0.42 |
0 |
|
|
367441 |
127324624 |
1 |
O2N5C18H23 |
A2B5C18D23 |
-28.18 |
1.85 |
-8.32 |
0.08 |
0 |
|
|
367442 |
127324625 |
1 |
ClON5C17H20 |
ABC5D17E20 |
2.14 |
3.06 |
-8.94 |
-0.25 |
0 |
|
|
367443 |
127324626 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-36.38 |
1.41 |
-8.86 |
0.07 |
0 |
|
|
367444 |
127324627 |
1 |
ON5C21H29 |
AB5C21D29 |
-13.43 |
3.33 |
-8.95 |
0.41 |
0 |
|
|
367445 |
127324628 |
1 |
FON5C19H24 |
ABC5D19E24 |
-37.65 |
6.5 |
-9.16 |
-0.11 |
0 |
|
|
367446 |
127324629 |
1 |
OSN7C17H25 |
ABC7D17E25 |
25.93 |
3.35 |
-9.03 |
-0.66 |
0 |
|
|
367447 |
127324630 |
1 |
ON5C14H23 |
AB5C14D23 |
-3.48 |
2.56 |
-9.56 |
0.49 |
0 |
|
|
367448 |
127324673 |
1 |
ON5C19H29 |
AB5C19D29 |
-25.16 |
3.46 |
-9.33 |
0.55 |
0 |
|
|
367449 |
127324674 |
1 |
ON7C17H25 |
AB7C17D25 |
6.31 |
3.77 |
-9.33 |
0.33 |
0 |
|
|
367450 |
127324675 |
1 |
O2N5C18H23 |
A2B5C18D23 |
-38.34 |
4.76 |
-9.46 |
0.02 |
0 |
|
|
367451 |
127324676 |
1 |
ON5C21H29 |
AB5C21D29 |
-4.04 |
3.4 |
-9.46 |
0.27 |
0 |
|
|
367452 |
127324677 |
1 |
ON5C13H21 |
AB5C13D21 |
-4.93 |
2.44 |
-9.57 |
0.48 |
0 |
|
|
367453 |
127324678 |
1 |
O2N5C15H25 |
A2B5C15D25 |
-82.21 |
3.1 |
-9.6 |
0.45 |
0 |
|
|
367454 |
127324679 |
1 |
O2N5C22H31 |
A2B5C22D31 |
-53.54 |
2.63 |
-8.66 |
0.32 |
0 |
|
|
367455 |
127324695 |
1 |
FO2N5C19H24 |
AB2C5D19E24 |
-78.07 |
1.72 |
-9.57 |
-0.42 |
0 |
|
|
367456 |
127324696 |
1 |
F2O2N5C19H23 |
A2B2C5D19E23 |
-121.51 |
2.69 |
-9.65 |
-0.61 |
0 |
|
|
367457 |
127324697 |
1 |
ON5C17H27 |
AB5C17D27 |
-18.25 |
7.56 |
-9.19 |
0.7 |
0 |
|
|
367458 |
127324698 |
1 |
ON5C15H25 |
AB5C15D25 |
-38.09 |
3.98 |
-9.44 |
0.59 |
0 |
|
|
367459 |
127324699 |
1 |
ClO2N5C19H24 |
AB2C5D19E24 |
-38.61 |
2.59 |
-9.56 |
-0.39 |
0 |
|
|
367460 |
127324700 |
1 |
O2N7C17H25 |
A2B7C17D25 |
-7.58 |
1.55 |
-9.59 |
-0.46 |
0 |
|
|
367461 |
127324701 |
1 |
ON5C21H29 |
AB5C21D29 |
2.1 |
2.45 |
-9.29 |
0.17 |
0 |
|
|
367462 |
127324702 |
1 |
O2N5C18H23 |
A2B5C18D23 |
-39.48 |
4.05 |
-9.61 |
-0.24 |
0 |
|
|
367463 |
127324703 |
1 |
ON5C19H25 |
AB5C19D25 |
4.42 |
2.96 |
-9.53 |
0.07 |
0 |
|
|
367464 |
127324704 |
1 |
ON5C20H27 |
AB5C20D27 |
-3.95 |
3.07 |
-9.38 |
0.14 |
0 |
|
|
367465 |
127324714 |
1 |
ON6C16H28 |
AB6C16D28 |
-17.92 |
7.01 |
-8.88 |
0.62 |
0 |
|
|
367466 |
127324715 |
1 |
ON8C15H22 |
AB8C15D22 |
28.89 |
3.96 |
-9.72 |
0.19 |
0 |
|
|
367467 |
127324770 |
1 |
ON6C19H32 |
AB6C19D32 |
-26.84 |
4.19 |
-8.99 |
0.63 |
0 |
|
|
367468 |
127324771 |
1 |
OSN6C18H26 |
ABC6D18E26 |
-2.24 |
1.77 |
-9.16 |
-0.42 |
0 |
|
|
367469 |
127324772 |
1 |
OSN5C17H29 |
ABC5D17E29 |
-35.66 |
3.44 |
-8.86 |
0.42 |
0 |
|
|
367470 |
127324773 |
1 |
SN2O5C18H24 |
AB2C5D18E24 |
-163.62 |
5.33 |
-9.1 |
-0.78 |
0 |
|
|
367471 |
127324774 |
1 |
SO2N4C20H24 |
AB2C4D20E24 |
-59.7 |
4.58 |
-8.34 |
-0.27 |
0 |
|
|
367472 |
127324775 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-97.52 |
5.54 |
-8.54 |
-0.55 |
0 |
|
|
367473 |
127324776 |
1 |
ON4C18H22 |
AB4C18D22 |
26.17 |
4.24 |
-8.14 |
-0.68 |
0 |
|
|
367474 |
127324777 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-41.26 |
4.27 |
-9.82 |
-0.46 |
0 |
|
|
367475 |
127324794 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-86.14 |
5.97 |
-8.42 |
0.3 |
0 |
|
|
367476 |
127324795 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-79.25 |
5.72 |
-8.32 |
0.54 |
0 |
|
|
367477 |
127324796 |
2 |
ON2C11H16 |
AB2C11D16 |
-81.68 |
6.38 |
-8.41 |
0.32 |
0 |
|
|
367478 |
127324809 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-36.84 |
4.79 |
-9.52 |
-1.2 |
0 |
|
|
367479 |
127324810 |
1 |
N3O4C20H35 |
A3B4C20D35 |
-193.79 |
2.62 |
-8.68 |
0.94 |
0 |
|
|
367480 |
127324811 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-124.18 |
1.99 |
-8.7 |
0.25 |
0 |
|
|
367481 |
127324812 |
1 |
SN2O3C22H26 |
AB2C3D22E26 |
-95.95 |
7.97 |
-8.71 |
-0.13 |
0 |
|
|
367482 |
127324813 |
2 |
ON2C11H12 |
AB2C11D12 |
3.65 |
7.27 |
-7.96 |
-0.94 |
0 |
|
|
367483 |
127324814 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-73.11 |
7.39 |
-8.44 |
0.27 |
0 |
|
|
367484 |
127324815 |
2 |
ON2C11H13 |
AB2C11D13 |
17.61 |
6.25 |
-8.37 |
-1.07 |
0 |
|
|
367485 |
127324817 |
1 |
O2N4C23H28 |
A2B4C23D28 |
6.92 |
6.82 |
-8.51 |
-1.11 |
0 |
|
|
367486 |
127324818 |
1 |
O2N5C20H31 |
A2B5C20D31 |
-71.28 |
5.42 |
-9.23 |
-0.2 |
0 |
|
|
367487 |
127324819 |
1 |
ClO2N6C17H21 |
AB2C6D17E21 |
-26.93 |
1.67 |
-9.13 |
-0.81 |
0 |
|
|
367488 |
127324820 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-29.59 |
2.11 |
-8.71 |
-0.41 |
0 |
|
|
367489 |
127324821 |
2 |
ON2C10H13 |
AB2C10D13 |
-24.93 |
4.56 |
-8.82 |
-0.5 |
0 |
|
|
367490 |
127324822 |
1 |
O2N5C21H27 |
A2B5C21D27 |
-19.55 |
6.98 |
-8.99 |
-0.72 |
0 |
|
|
367491 |
127324823 |
1 |
O2N5C21H27 |
A2B5C21D27 |
-19.62 |
2.26 |
-8.9 |
-0.63 |
0 |