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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
419545 |
135108401 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-100.99 |
1.63 |
-8.94 |
-1.27 |
0 |
|
|
419546 |
135108402 |
1 |
NF2O3C16H21 |
AB2C3D16E21 |
-226.28 |
7.34 |
-9.88 |
-0.63 |
0 |
|
|
419547 |
135108403 |
1 |
ON4C16H26 |
AB4C16D26 |
-24.36 |
2.28 |
-8.27 |
0.22 |
0 |
|
|
419548 |
135108404 |
1 |
SN4O4C15H20 |
AB4C4D15E20 |
-105.02 |
6.1 |
-9.24 |
-0.73 |
0 |
|
|
419549 |
135108405 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-78.76 |
4.6 |
-8.29 |
-0.06 |
0 |
|
|
419550 |
135108407 |
1 |
ON6C16H28 |
AB6C16D28 |
-1.56 |
3.43 |
-8.45 |
-0.04 |
0 |
|
|
419551 |
135108408 |
2 |
NOC12H19 |
ABC12D19 |
-99.79 |
2.88 |
-8.2 |
0.37 |
0 |
|
|
419552 |
135108409 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-107.8 |
7.12 |
-8.8 |
-0.64 |
0 |
|
|
419553 |
135108410 |
1 |
ON4C12H20 |
AB4C12D20 |
-16.62 |
2.83 |
-8.95 |
0.68 |
0 |
|
|
419554 |
135108411 |
1 |
FO2N3C23H28 |
AB2C3D23E28 |
-108.62 |
3.47 |
-9.44 |
-0.42 |
0 |
|
|
419556 |
135108413 |
1 |
NSF3O5C17H22 |
ABC3D5E17F22 |
-372.91 |
3.12 |
-9.85 |
-1.1 |
0 |
|
|
419557 |
135108414 |
1 |
O3N6C18H28 |
A3B6C18D28 |
-108.35 |
1.8 |
-9.1 |
-0.64 |
0 |
|
|
419558 |
135108415 |
1 |
ON4C16H22 |
AB4C16D22 |
68.16 |
2.83 |
-8.67 |
-0.28 |
0 |
|
|
419559 |
135108416 |
1 |
ON4C20H24 |
AB4C20D24 |
29.32 |
7.8 |
-9.03 |
-0.82 |
0 |
|
|
419560 |
135108417 |
1 |
N2O5C17H22 |
A2B5C17D22 |
-189.55 |
8.55 |
-9.46 |
-0.56 |
0 |
|
|
419561 |
135108418 |
1 |
SO4N7C27H35 |
AB4C7D27E35 |
-82.92 |
3.57 |
-8.76 |
-0.46 |
0 |
|
|
419562 |
135108419 |
1 |
ON4C15H26 |
AB4C15D26 |
-15.67 |
5.79 |
-9.1 |
0.54 |
0 |
|
|
419563 |
135108420 |
1 |
SO5N7C30H39 |
AB5C7D30E39 |
-154.65 |
5.64 |
-8.7 |
-0.5 |
0 |
|
|
419564 |
135108421 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-80.64 |
1.46 |
-8.22 |
0.01 |
0 |
|
|
419565 |
135108422 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-83.82 |
5.3 |
-9.16 |
-0.35 |
0 |
|
|
419566 |
135108423 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-62.68 |
4.16 |
-9.18 |
-0.32 |
0 |
|
|
419567 |
135108424 |
1 |
ON4C17H22 |
AB4C17D22 |
8.98 |
3.8 |
-8.34 |
0.16 |
0 |
|
|
419568 |
135108425 |
1 |
N5C20H29 |
A5B20C29 |
26.4 |
1.99 |
-8.86 |
-0.34 |
0 |
|
|
419569 |
135108426 |
1 |
F3N4C19H25 |
A3B4C19D25 |
-109.89 |
1.96 |
-8.44 |
-0.46 |
0 |
|
|
419570 |
135108427 |
1 |
ClNSO4C18H26 |
ABCD4E18F26 |
-179.85 |
4.68 |
-9.22 |
-0.79 |
0 |
|
|
419571 |
135108428 |
1 |
NSO5C17H23 |
ABC5D17E23 |
-190.23 |
10.09 |
-9.74 |
-0.76 |
0 |
|
|
419572 |
135108429 |
1 |
O2N5C18H27 |
A2B5C18D27 |
-54.33 |
7.54 |
-9.07 |
-0.87 |
0 |
|
|
419573 |
135108430 |
1 |
SO2N4C12H24 |
AB2C4D12E24 |
-63.68 |
6.59 |
-8.69 |
0.62 |
0 |
|
|
419574 |
135108431 |
1 |
NO4C24H25 |
AB4C24D25 |
-124.98 |
7.92 |
-9.04 |
-0.71 |
0 |
|
|
419575 |
135108438 |
1 |
ClO4N7C31H38 |
AB4C7D31E38 |
-91.14 |
4.93 |
-8.97 |
-0.82 |
0 |
|
|
419576 |
135108445 |
1 |
FNSO5C12H14 |
ABCD5E12F14 |
-237.81 |
4.57 |
-10.13 |
-1.14 |
0 |
|
|
419577 |
135108465 |
1 |
N2O3C17H20 |
A2B3C17D20 |
-92.99 |
4.1 |
-9.37 |
-0.76 |
0 |
|
|
419578 |
135108466 |
2 |
ON2C7H11 |
AB2C7D11 |
4.14 |
3.47 |
-8.91 |
0.82 |
0 |
|
|
419579 |
135108468 |
1 |
N2O3C25H28 |
A2B3C25D28 |
-78.57 |
3.87 |
-8.83 |
-0.68 |
0 |
|
|
419580 |
135108475 |
1 |
O2N4C19H22 |
A2B4C19D22 |
25.5 |
3.43 |
-9.01 |
-0.1 |
0 |
|
|
419581 |
135108476 |
1 |
ClN3O3C18H22 |
AB3C3D18E22 |
-56.16 |
5.84 |
-9.2 |
-1.01 |
0 |
|
|
419582 |
135108477 |
1 |
ON5C14H17 |
AB5C14D17 |
19.2 |
3.56 |
-9.26 |
-0.12 |
0 |
|
|
419583 |
135108478 |
1 |
FO3N4C20H27 |
AB3C4D20E27 |
-88.56 |
3.78 |
-8.67 |
-0.97 |
0 |
|
|
419584 |
135108479 |
1 |
O2N5C16H21 |
A2B5C16D21 |
-24.05 |
3.83 |
-8.69 |
-0.29 |
0 |
|
|
419585 |
135108480 |
1 |
ON3C15H23 |
AB3C15D23 |
-3.08 |
0.35 |
-8.76 |
-0.06 |
0 |
|
|
419586 |
135108481 |
1 |
N5O6C30H47 |
A5B6C30D47 |
-289.94 |
5.74 |
-8.97 |
0.01 |
0 |
|
|
419587 |
135108482 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-48.06 |
1.93 |
-8.98 |
0.15 |
0 |
|
|
419588 |
135108483 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-10.05 |
2.39 |
-9.26 |
-0.45 |
0 |
|
|
419589 |
135108484 |
1 |
O3N5C10H15 |
A3B5C10D15 |
-8.52 |
2.3 |
-9.51 |
-0.45 |
0 |
|
|
419590 |
135108485 |
1 |
O2N4C19H28 |
A2B4C19D28 |
-48.12 |
1.01 |
-8.57 |
0.02 |
0 |
|
|
419591 |
135108515 |
1 |
FO2N3C20H26 |
AB2C3D20E26 |
-93.42 |
6.12 |
-8.48 |
-0.3 |
0 |
|
|
419592 |
135108526 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-40.75 |
6.24 |
-8.73 |
0.18 |
0 |
|
|
419593 |
135108527 |
2 |
ON3C8H10 |
AB3C8D10 |
4.27 |
11.59 |
-8.85 |
-0.48 |
0 |
|
|
419594 |
135108528 |
1 |
ON3C21H29 |
AB3C21D29 |
-10.36 |
1.55 |
-8.82 |
-0.86 |
0 |
|
|
419595 |
135108529 |
2 |
NOSC6H11 |
ABCD6E11 |
-68.3 |
4.32 |
-8.72 |
0.12 |
0 |
|
|
419596 |
135108530 |
1 |
O3N5C16H21 |
A3B5C16D21 |
-28.98 |
4.55 |
-9.3 |
-0.52 |
0 |
|
|
419597 |
135108531 |
1 |
ON5C19H25 |
AB5C19D25 |
18.04 |
4.78 |
-8.66 |
-0.36 |
0 |
|
|
419598 |
135108532 |
1 |
ClOSN3C10H16 |
ABCD3E10F16 |
-34.36 |
2.88 |
-8.78 |
-0.43 |
0 |
|
|
419599 |
135108533 |
1 |
FNO2C18H26 |
ABC2D18E26 |
-144.41 |
4.91 |
-9.34 |
0.11 |
0 |
|
|
419600 |
135108534 |
1 |
ClO3N4C16H17 |
AB3C4D16E17 |
-64.35 |
5.22 |
-9.62 |
-0.89 |
0 |
|
|
419601 |
135108535 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-32.73 |
2.61 |
-8.86 |
-0.15 |
0 |
|
|
419602 |
135108536 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-18.66 |
4.01 |
-8.69 |
-0.18 |
0 |
|
|
419603 |
135108537 |
1 |
FN3O3C21H28 |
AB3C3D21E28 |
-102.85 |
4.16 |
-8.98 |
-0.86 |
0 |
|
|
419604 |
135108538 |
3 |
NOC7H9 |
ABC7D9 |
-83.53 |
3.57 |
-8.8 |
0.23 |
0 |
|
|
419605 |
135108539 |
1 |
N6O6C31H48 |
A6B6C31D48 |
-286.33 |
7.4 |
-8.8 |
0.18 |
0 |
|
|
419606 |
135108540 |
1 |
OF3N4C15H15 |
AB3C4D15E15 |
-137.33 |
7.07 |
-8.96 |
-1.12 |
0 |
|
|
419607 |
135108541 |
1 |
ClO6N7C31H40 |
AB6C7D31E40 |
-221.89 |
4.21 |
-9.52 |
-1.12 |
0 |
|
|
419609 |
135108543 |
1 |
N3O3C14H19 |
A3B3C14D19 |
-104.0 |
5.78 |
-8.72 |
-0.44 |
0 |
|
|
419610 |
135108544 |
1 |
NO3C20H31 |
AB3C20D31 |
-149.55 |
2.21 |
-8.56 |
0.4 |
0 |
|
|
419611 |
135108545 |
1 |
ON5C21H33 |
AB5C21D33 |
-24.95 |
5.34 |
-8.35 |
-0.13 |
0 |
|
|
419612 |
135108546 |
1 |
OSN3C19H23 |
ABC3D19E23 |
17.62 |
2.87 |
-8.72 |
-0.34 |
0 |
|
|
419613 |
135108547 |
1 |
OSN6C18H24 |
ABC6D18E24 |
26.97 |
3.92 |
-8.6 |
-0.55 |
0 |
|
|
419614 |
135108549 |
1 |
NO2F6C16H17 |
AB2C6D16E17 |
-393.5 |
3.68 |
-9.93 |
-1.52 |
0 |
|
|
419615 |
135108550 |
1 |
SN3O3C17H27 |
AB3C3D17E27 |
-105.61 |
8.79 |
-8.36 |
-0.24 |
0 |
|
|
419616 |
135108551 |
1 |
ClON3C17H22 |
ABC3D17E22 |
-17.69 |
3.87 |
-9.08 |
-0.3 |
0 |
|
|
419617 |
135108552 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-87.14 |
3.82 |
-9.02 |
0.04 |
0 |
|
|
419618 |
135108553 |
1 |
O3N7C17H25 |
A3B7C17D25 |
-16.89 |
2.38 |
-8.85 |
-0.68 |
0 |
|
|
419619 |
135108554 |
1 |
FN2O3C20H27 |
AB2C3D20E27 |
-175.65 |
4.88 |
-9.19 |
-0.59 |
0 |
|
|
419620 |
135108555 |
1 |
OSN4C18H20 |
ABC4D18E20 |
18.54 |
6.62 |
-8.1 |
-0.78 |
0 |
|
|
419621 |
135108556 |
1 |
ON5C23H27 |
AB5C23D27 |
27.06 |
6.93 |
-8.69 |
-0.42 |
0 |
|
|
419622 |
135108557 |
1 |
ON2S2C13H18 |
AB2C2D13E18 |
23.24 |
3.2 |
-8.67 |
-0.61 |
0 |
|
|
419623 |
135108558 |
1 |
NSO5C14H19 |
ABC5D14E19 |
-211.28 |
10.48 |
-9.87 |
-0.8 |
0 |
|
|
419624 |
135108559 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-192.48 |
5.58 |
-8.82 |
-0.01 |
0 |
|
|
419625 |
135108560 |
2 |
N2O2C7H10 |
A2B2C7D10 |
-55.2 |
6.04 |
-9.65 |
-0.4 |
0 |
|
|
419626 |
135108561 |
1 |
O3N5C22H23 |
A3B5C22D23 |
-15.67 |
5.44 |
-9.0 |
-1.4 |
0 |
|
|
419627 |
135108562 |
1 |
N2O2C21H26 |
A2B2C21D26 |
-68.45 |
2.55 |
-8.57 |
0.18 |
0 |
|
|
419628 |
135108563 |
2 |
ON2C7H8 |
AB2C7D8 |
-21.2 |
3.95 |
-9.28 |
-0.96 |
0 |
|
|
419629 |
135108564 |
1 |
N2O3C23H26 |
A2B3C23D26 |
-82.64 |
4.1 |
-8.67 |
-0.22 |
0 |
|
|
419630 |
135108565 |
1 |
NO2C21H31 |
AB2C21D31 |
-106.36 |
4.86 |
-9.12 |
0.36 |
0 |
|
|
419631 |
135108566 |
1 |
SO4N5C20H27 |
AB4C5D20E27 |
-113.46 |
2.13 |
-9.4 |
-0.95 |
0 |
|
|
419632 |
135108567 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-47.85 |
1.95 |
-9.56 |
-0.52 |
0 |
|
|
419633 |
135108568 |
1 |
ClO3N4C19H25 |
AB3C4D19E25 |
-59.09 |
2.44 |
-8.89 |
-1.08 |
0 |
|
|
419634 |
135108569 |
1 |
O3N5C23H33 |
A3B5C23D33 |
-121.66 |
4.04 |
-8.57 |
-0.1 |
0 |
|
|
419635 |
135108570 |
1 |
N2O3C27H36 |
A2B3C27D36 |
-108.85 |
5.33 |
-8.72 |
0.05 |
0 |
|
|
419636 |
135108571 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-128.72 |
2.9 |
-8.89 |
-0.11 |
0 |
|
|
419637 |
135108572 |
1 |
NO4C15H21 |
AB4C15D21 |
-162.04 |
2.79 |
-9.4 |
-0.28 |
0 |
|
|
419638 |
135108573 |
1 |
N2F3C19H27 |
A2B3C19D27 |
-154.19 |
2.97 |
-8.64 |
-0.36 |
0 |
|
|
419639 |
135108574 |
1 |
FN2O2C19H25 |
AB2C2D19E25 |
-138.45 |
3.8 |
-9.44 |
-0.01 |
0 |
|
|
419640 |
135108587 |
1 |
N3O5C16H21 |
A3B5C16D21 |
-175.65 |
6.32 |
-9.54 |
-1.22 |
0 |
|
|
419641 |
135108594 |
1 |
O6N7C28H39 |
A6B7C28D39 |
-245.85 |
5.62 |
-9.09 |
-0.18 |
0 |
|
|
419642 |
135108600 |
1 |
ClN3O3C19H24 |
AB3C3D19E24 |
-62.2 |
6.68 |
-9.16 |
-0.92 |
0 |
|
|
419643 |
135108617 |
1 |
ON5C23H31 |
AB5C23D31 |
11.07 |
0.8 |
-8.02 |
-0.12 |
0 |
|
|
419644 |
135108618 |
1 |
OF3N4C19H21 |
AB3C4D19E21 |
-154.18 |
5.96 |
-9.12 |
-0.85 |
0 |
|
|
419645 |
135108619 |
1 |
ClNO3C16H22 |
ABC3D16E22 |
-138.06 |
2.98 |
-8.97 |
-0.1 |
0 |
|
|
419646 |
135108620 |
1 |
SO3N4C14H24 |
AB3C4D14E24 |
-110.92 |
6.13 |
-9.29 |
-0.12 |
0 |