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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
69451 |
47177787 |
1 |
SO2N3C13H15 |
AB2C3D13E15 |
-14.22 |
6.9 |
-9.16 |
-0.1 |
0 |
|
|
69452 |
47178491 |
1 |
SN3O3C13H13 |
AB3C3D13E13 |
-44.79 |
3.27 |
-9.0 |
-0.87 |
0 |
|
|
69453 |
47178803 |
1 |
ClSN2O2C14H19 |
ABC2D2E14F19 |
-69.82 |
4.69 |
-9.32 |
-0.5 |
0 |
|
|
69454 |
47178804 |
1 |
ClSN2O2C14H19 |
ABC2D2E14F19 |
-86.77 |
1.98 |
-9.44 |
-0.58 |
0 |
|
|
69455 |
47179884 |
1 |
BrN2O2C15H21 |
AB2C2D15E21 |
-85.67 |
2.02 |
-9.44 |
-0.58 |
0 |
|
|
69456 |
47179931 |
1 |
BrFON2H8C14 |
ABCD2E8F14 |
7.63 |
4.56 |
-9.55 |
-0.88 |
0 |
|
|
69457 |
47180334 |
1 |
SO3N4H8C11 |
AB3C4D8E11 |
-27.53 |
4.3 |
-8.69 |
-1.72 |
0 |
|
|
69458 |
47180337 |
1 |
ClO2N4C13H19 |
AB2C4D13E19 |
-78.48 |
2.66 |
-9.13 |
-0.67 |
0 |
|
|
69459 |
47181118 |
1 |
OSN4C14H24 |
ABC4D14E24 |
-35.1 |
4.41 |
-9.09 |
-0.48 |
0 |
|
|
69460 |
47183088 |
1 |
INOH16C17 |
ABCD16E17 |
16.93 |
4.99 |
-8.54 |
-1.18 |
0 |
|
|
69461 |
47183209 |
1 |
ClFINOH12C15 |
ABCDEF12G15 |
-44.66 |
3.6 |
-9.07 |
-0.99 |
0 |
|
|
69462 |
47183955 |
1 |
OSN3H13C14 |
ABC3D13E14 |
40.67 |
4.18 |
-9.14 |
-0.8 |
0 |
|
|
69463 |
47184008 |
1 |
N3O3C13H13 |
A3B3C13D13 |
-93.5 |
9.52 |
-9.43 |
-1.11 |
0 |
|
|
69464 |
47184032 |
1 |
ON3C12H15 |
AB3C12D15 |
-5.2 |
5.11 |
-9.12 |
-0.69 |
0 |
|
|
69465 |
47184086 |
1 |
SN2O2C14H18 |
AB2C2D14E18 |
-44.73 |
4.16 |
-8.99 |
-0.31 |
0 |
|
|
69466 |
47184467 |
1 |
OSBr2N2H8C10 |
ABC2D2E8F10 |
23.53 |
0.9 |
-9.4 |
-0.82 |
0 |
|
|
69467 |
47185046 |
1 |
BrSN2H13C15 |
ABC2D13E15 |
78.49 |
3.49 |
-8.55 |
-0.67 |
0 |
|
|
69468 |
47186438 |
1 |
ClON3C14H22 |
ABC3D14E22 |
-48.58 |
5.25 |
-8.6 |
-0.15 |
0 |
|
|
69469 |
47186605 |
1 |
BrON2C15H23 |
ABC2D15E23 |
-57.21 |
3.01 |
-9.58 |
-0.44 |
0 |
|
|
69470 |
47186798 |
1 |
SN3O3C13H15 |
AB3C3D13E15 |
-64.32 |
6.28 |
-9.18 |
-1.29 |
0 |
|
|
69471 |
47188882 |
1 |
ClNOC17H22 |
ABCD17E22 |
-39.67 |
4.03 |
-9.61 |
-0.21 |
0 |
|
|
69472 |
47189255 |
1 |
N3O3C13H17 |
A3B3C13D17 |
-129.61 |
2.28 |
-8.98 |
-0.28 |
0 |
|
|
69473 |
47189463 |
2 |
NO2C7H9 |
AB2C7D9 |
-132.99 |
1.17 |
-9.03 |
0.0 |
0 |
|
|
69474 |
47190238 |
1 |
SF3N3O3C10H14 |
AB3C3D3E10F14 |
-244.26 |
5.87 |
-9.71 |
-0.6 |
0 |
|
|
69475 |
47190587 |
1 |
N2O2F3C13H13 |
A2B2C3D13E13 |
-197.72 |
3.92 |
-10.14 |
-0.96 |
0 |
|
|
69476 |
47190769 |
1 |
ClON2S2C13H15 |
ABC2D2E13F15 |
-10.68 |
2.95 |
-9.43 |
-0.9 |
0 |
|
|
69477 |
47190771 |
1 |
ClSN2O2C14H15 |
ABC2D2E14F15 |
-43.15 |
3.54 |
-9.44 |
-0.61 |
0 |
|
|
69478 |
47190812 |
1 |
OSF3N3C12H16 |
ABC3D3E12F16 |
-189.27 |
4.38 |
-8.96 |
-0.68 |
0 |
|
|
69479 |
47191101 |
1 |
SN2O4C13H18 |
AB2C4D13E18 |
-164.53 |
9.23 |
-10.17 |
-0.66 |
0 |
|
|
69480 |
47192276 |
1 |
ON2C16H24 |
AB2C16D24 |
-55.91 |
4.08 |
-8.38 |
0.43 |
0 |
|
|
69481 |
47193017 |
1 |
N2O2F3C13H15 |
A2B2C3D13E15 |
-228.08 |
1.73 |
-9.38 |
-0.65 |
0 |
|
|
69482 |
47193263 |
1 |
ClOSN2C14H15 |
ABCD2E14F15 |
-7.07 |
5.76 |
-8.64 |
-0.59 |
0 |
|
|
69483 |
47193391 |
1 |
ION2C14H21 |
ABC2D14E21 |
-43.14 |
5.91 |
-8.71 |
-0.65 |
0 |
|
|
69484 |
47193435 |
1 |
ION2C14H19 |
ABC2D14E19 |
-26.61 |
6.5 |
-8.64 |
-0.61 |
0 |
|
|
69485 |
47193437 |
1 |
IN2O2C14H19 |
AB2C2D14E19 |
-68.44 |
4.01 |
-8.82 |
-0.75 |
0 |
|
|
69486 |
47193438 |
1 |
ClION2H14C15 |
ABCD2E14F15 |
2.9 |
3.96 |
-8.84 |
-0.74 |
0 |
|
|
69487 |
47193444 |
1 |
Cl2N2O2H12C13 |
A2B2C2D12E13 |
-47.66 |
6.22 |
-9.22 |
-0.41 |
0 |
|
|
69488 |
47193447 |
1 |
OCl2N2C14H18 |
AB2C2D14E18 |
-60.13 |
6.61 |
-9.13 |
-0.35 |
0 |
|
|
69489 |
47193448 |
1 |
OSCl2N2H12C13 |
ABC2D2E12F13 |
-20.42 |
6.36 |
-9.26 |
-0.64 |
0 |
|
|
69490 |
47193450 |
1 |
SCl2N2O3C12H14 |
AB2C2D3E12F14 |
-127.51 |
5.18 |
-9.52 |
-0.67 |
0 |
|
|
69491 |
47193656 |
1 |
ON3C16H25 |
AB3C16D25 |
-50.05 |
3.84 |
-7.77 |
0.39 |
0 |
|
|
69492 |
47193664 |
1 |
SN2O3C13H16 |
AB2C3D13E16 |
-107.7 |
6.94 |
-8.84 |
-0.01 |
0 |
|
|
69493 |
47193665 |
1 |
ON3C16H23 |
AB3C16D23 |
-28.82 |
3.63 |
-8.45 |
0.35 |
0 |
|
|
69494 |
47193667 |
1 |
O2N3C13H17 |
A2B3C13D17 |
-73.93 |
5.88 |
-8.23 |
0.52 |
0 |
|
|
69495 |
47193668 |
1 |
ON3C16H17 |
AB3C16D17 |
8.26 |
3.87 |
-8.52 |
-0.2 |
0 |
|
|
69496 |
47193669 |
1 |
ON2C13H18 |
AB2C13D18 |
-37.68 |
2.67 |
-8.58 |
0.05 |
0 |
|
|
69497 |
47193670 |
1 |
N2O2C13H18 |
A2B2C13D18 |
-67.89 |
3.19 |
-8.51 |
0.32 |
0 |
|
|
69498 |
47193672 |
2 |
NOC6H8 |
ABC6D8 |
-63.06 |
3.45 |
-8.52 |
0.29 |
0 |
|
|
69499 |
47193673 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-126.77 |
6.05 |
-8.93 |
-0.01 |
0 |
|
|
69500 |
47193674 |
1 |
ON2C14H22 |
AB2C14D22 |
-56.37 |
4.16 |
-8.61 |
0.31 |
0 |
|
|
69501 |
47193675 |
1 |
ON2C16H24 |
AB2C16D24 |
-51.19 |
4.94 |
-8.48 |
0.39 |
0 |
|
|
69502 |
47193676 |
1 |
ON2C17H20 |
AB2C17D20 |
-12.01 |
4.3 |
-8.61 |
-0.07 |
0 |
|
|
69503 |
47193677 |
1 |
N2O2F3H11C13 |
A2B2C3D11E13 |
-160.27 |
5.12 |
-9.15 |
-0.56 |
0 |
|
|
69504 |
47193678 |
1 |
ON2F3C12H13 |
AB2C3D12E13 |
-139.08 |
6.56 |
-9.24 |
-0.57 |
0 |
|
|
69505 |
47193679 |
1 |
SN2F3O3C11H11 |
AB2C3D3E11F11 |
-240.59 |
6.42 |
-10.29 |
-1.28 |
0 |
|
|
69506 |
47193680 |
1 |
O2F3N3C11H12 |
A2B3C3D11E12 |
-208.04 |
2.4 |
-9.51 |
-0.86 |
0 |
|
|
69507 |
47193681 |
1 |
IOSN2C15H15 |
ABCD2E15F15 |
18.57 |
5.18 |
-8.8 |
-0.7 |
0 |
|
|
69508 |
47193682 |
1 |
IN2O3C14H19 |
AB2C3D14E19 |
-121.37 |
4.5 |
-8.85 |
-0.75 |
0 |
|
|
69509 |
47193683 |
2 |
ClNOC7H7 |
ABCD7E7 |
-53.1 |
5.36 |
-9.28 |
-0.45 |
0 |
|
|
69510 |
47193684 |
1 |
SCl2N2O3C12H14 |
AB2C2D3E12F14 |
-132.89 |
3.0 |
-9.5 |
-0.62 |
0 |
|
|
69511 |
47193686 |
1 |
OCl2N4C13H14 |
AB2C4D13E14 |
-4.68 |
4.0 |
-9.44 |
-0.59 |
0 |
|
|
69512 |
47193687 |
1 |
OCl2N4C13H14 |
AB2C4D13E14 |
-1.73 |
2.94 |
-9.43 |
-0.56 |
0 |
|
|
69513 |
47193688 |
1 |
OCl2N4C13H14 |
AB2C4D13E14 |
2.2 |
8.51 |
-9.19 |
-0.38 |
0 |
|
|
69514 |
47193689 |
1 |
OCl2N3H13C14 |
AB2C3D13E14 |
-12.45 |
3.06 |
-9.4 |
-0.54 |
0 |
|
|
69515 |
47193690 |
1 |
OSN2Cl3H11C13 |
ABC2D3E11F13 |
-13.75 |
4.35 |
-9.36 |
-0.8 |
0 |
|
|
69516 |
47193691 |
1 |
Cl2O2N3C13H17 |
A2B2C3D13E17 |
-105.26 |
9.01 |
-9.08 |
-0.26 |
0 |
|
|
69517 |
47193693 |
1 |
OSCl2N2H12C13 |
ABC2D2E12F13 |
-16.72 |
4.56 |
-9.24 |
-0.53 |
0 |
|
|
69518 |
47193694 |
1 |
OCl2N3H13C14 |
AB2C3D13E14 |
-5.88 |
5.37 |
-9.4 |
-0.58 |
0 |
|
|
69519 |
47193695 |
1 |
OSCl2N3C13H13 |
ABC2D3E13F13 |
-20.05 |
5.47 |
-9.29 |
-0.52 |
0 |
|
|
69520 |
47193696 |
1 |
Cl2O2N3C13H15 |
A2B2C3D13E15 |
-88.03 |
5.87 |
-9.3 |
-0.45 |
0 |
|
|
69521 |
47193697 |
1 |
OSCl2N2H12C14 |
ABC2D2E12F14 |
-9.65 |
5.22 |
-9.22 |
-0.47 |
0 |
|
|
69522 |
47193698 |
1 |
OSCl2N3H11C12 |
ABC2D3E11F12 |
-10.95 |
6.05 |
-9.32 |
-0.85 |
0 |
|
|
69523 |
47193699 |
2 |
ClNOC6H7 |
ABCD6E7 |
-88.76 |
3.47 |
-9.39 |
-0.61 |
0 |
|
|
69524 |
47193700 |
1 |
Cl2N2O3C13H16 |
A2B2C3D13E16 |
-148.67 |
6.51 |
-9.4 |
-0.52 |
0 |
|
|
69525 |
47193701 |
2 |
ClNOC7H7 |
ABCD7E7 |
-65.5 |
6.36 |
-9.28 |
-0.42 |
0 |
|
|
69526 |
47193702 |
1 |
Cl2O2N3C13H15 |
A2B2C3D13E15 |
-73.13 |
8.44 |
-9.06 |
-0.25 |
0 |
|
|
69527 |
47193704 |
1 |
ClO2N3C14H16 |
AB2C3D14E16 |
-29.03 |
2.9 |
-9.55 |
-0.22 |
0 |
|
|
69528 |
47193705 |
1 |
N3O3F5H6C9 |
A3B3C5D6E9 |
-293.41 |
2.65 |
-9.91 |
-1.49 |
0 |
|
|
69529 |
47193706 |
1 |
SO3N4C12H14 |
AB3C4D12E14 |
-78.19 |
2.97 |
-8.95 |
-0.85 |
0 |
|
|
69530 |
47193707 |
1 |
ClON2C13H17 |
ABC2D13E17 |
-33.1 |
2.02 |
-8.65 |
-0.05 |
0 |
|
|
69531 |
47193708 |
1 |
BrClOSN2H12C13 |
ABCDE2F12G13 |
-2.04 |
1.27 |
-8.83 |
-0.72 |
0 |
|
|
69532 |
47193709 |
1 |
ClON2C15H21 |
ABC2D15E21 |
-67.62 |
1.86 |
-8.61 |
-0.04 |
0 |
|
|
69533 |
47193710 |
1 |
ClON2C14H19 |
ABC2D14E19 |
-57.87 |
1.79 |
-8.68 |
-0.08 |
0 |
|
|
69534 |
47193711 |
1 |
ClN2O2C14H19 |
AB2C2D14E19 |
-86.98 |
2.8 |
-8.54 |
0.0 |
0 |
|
|
69535 |
47193712 |
1 |
ClON2C16H23 |
ABC2D16E23 |
-60.88 |
2.23 |
-8.57 |
-0.02 |
0 |
|
|
69536 |
47193713 |
1 |
ClON2C16H23 |
ABC2D16E23 |
-63.07 |
2.51 |
-8.58 |
-0.01 |
0 |
|
|
69537 |
47193714 |
1 |
ClOSN2C14H15 |
ABCD2E14F15 |
-9.35 |
1.62 |
-8.72 |
-0.3 |
0 |
|
|
69538 |
47193715 |
1 |
ClO2N3C12H14 |
AB2C3D12E14 |
-72.41 |
5.67 |
-8.96 |
-0.34 |
0 |
|
|
69539 |
47193717 |
1 |
ClOSN3C14H16 |
ABCD3E14F16 |
-18.8 |
3.34 |
-8.59 |
-0.6 |
0 |
|
|
69540 |
47193718 |
1 |
ClON2C15H19 |
ABC2D15E19 |
-9.89 |
1.67 |
-8.7 |
-0.1 |
0 |
|
|
69541 |
47193719 |
1 |
ClO2N3C14H18 |
AB2C3D14E18 |
-86.66 |
3.77 |
-8.67 |
-0.07 |
0 |
|
|
69542 |
47193720 |
1 |
ClN2O2C13H17 |
AB2C2D13E17 |
-87.67 |
1.78 |
-8.78 |
-0.2 |
0 |
|
|
69543 |
47193721 |
1 |
ClO2N3C14H20 |
AB2C3D14E20 |
-102.6 |
2.96 |
-8.91 |
-0.31 |
0 |
|
|
69544 |
47193722 |
1 |
ClON4C13H15 |
ABC4D13E15 |
-4.61 |
2.83 |
-8.94 |
-0.3 |
0 |
|
|
69545 |
47193723 |
1 |
ClOSN2C14H15 |
ABCD2E14F15 |
-15.93 |
1.98 |
-8.76 |
-0.18 |
0 |
|
|
69546 |
47193725 |
1 |
ClFON2H14C15 |
ABCD2E14F15 |
-60.5 |
2.5 |
-8.68 |
-0.51 |
0 |
|
|
69547 |
47193726 |
1 |
OSN3C14H17 |
ABC3D14E17 |
-3.5 |
4.2 |
-8.76 |
-0.61 |
0 |
|
|
69548 |
47193728 |
1 |
ION2C14H19 |
ABC2D14E19 |
-3.92 |
5.69 |
-8.75 |
-0.65 |
0 |
|
|
69549 |
47193729 |
1 |
ISN2O3C12H15 |
ABC2D3E12F15 |
-97.13 |
8.47 |
-9.02 |
-0.83 |
0 |
|
|
69550 |
47193730 |
1 |
FION2H12C14 |
ABCD2E12F14 |
-27.23 |
4.6 |
-8.9 |
-0.75 |
0 |