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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
293600 |
117394087 |
1 |
OF2N2C13H18 |
AB2C2D13E18 |
-114.94 |
3.91 |
-8.62 |
0.03 |
0 |
|
|
293601 |
117394145 |
1 |
N2O2C15H16 |
A2B2C15D16 |
-20.5 |
5.67 |
-9.02 |
-0.81 |
0 |
|
|
293602 |
117394180 |
1 |
N2O2C15H16 |
A2B2C15D16 |
-37.65 |
9.78 |
-9.36 |
-0.41 |
0 |
|
|
293603 |
117394182 |
1 |
N2O2C15H16 |
A2B2C15D16 |
-19.94 |
8.28 |
-9.72 |
-0.46 |
0 |
|
|
293604 |
117394185 |
1 |
N2O2C15H16 |
A2B2C15D16 |
-23.28 |
3.6 |
-9.68 |
-0.76 |
0 |
|
|
293605 |
117394187 |
1 |
N2O2C15H16 |
A2B2C15D16 |
-40.97 |
4.71 |
-9.0 |
-0.47 |
0 |
|
|
293606 |
117394206 |
1 |
N2O2C15H16 |
A2B2C15D16 |
-44.72 |
3.99 |
-8.73 |
-0.16 |
0 |
|
|
293607 |
117394248 |
1 |
ON4C14H16 |
AB4C14D16 |
40.92 |
3.24 |
-7.9 |
0.24 |
0 |
|
|
293608 |
117394249 |
1 |
ON4C14H16 |
AB4C14D16 |
43.54 |
4.72 |
-7.78 |
0.2 |
0 |
|
|
293609 |
117394258 |
1 |
ON4C14H16 |
AB4C14D16 |
44.19 |
4.16 |
-8.54 |
-0.35 |
0 |
|
|
293610 |
117394283 |
1 |
FO3C14H21 |
AB3C14D21 |
-187.4 |
5.11 |
-8.86 |
-0.1 |
0 |
|
|
293611 |
117394347 |
1 |
SO4C12H16 |
AB4C12D16 |
-148.19 |
5.03 |
-8.3 |
-0.34 |
0 |
|
|
293612 |
117394405 |
1 |
SO4C12H16 |
AB4C12D16 |
-152.6 |
3.99 |
-8.78 |
-0.46 |
0 |
|
|
293613 |
117394406 |
1 |
SO4C12H16 |
AB4C12D16 |
-161.23 |
7.15 |
-8.76 |
-0.48 |
0 |
|
|
293614 |
117394416 |
1 |
SN2O3C11H16 |
AB2C3D11E16 |
-94.44 |
2.99 |
-8.94 |
-0.41 |
0 |
|
|
293615 |
117394431 |
1 |
FSO2C13H17 |
ABC2D13E17 |
-109.26 |
2.91 |
-9.01 |
-0.68 |
0 |
|
|
293616 |
117394432 |
1 |
O2C17H20 |
A2B17C20 |
-55.26 |
3.28 |
-8.63 |
-0.15 |
0 |
|
|
293617 |
117394489 |
1 |
ON2C16H20 |
AB2C16D20 |
-12.4 |
1.47 |
-8.81 |
-0.5 |
0 |
|
|
293618 |
117394508 |
1 |
ON2C16H20 |
AB2C16D20 |
1.57 |
3.92 |
-9.04 |
-0.09 |
0 |
|
|
293619 |
117394522 |
1 |
ON2C16H20 |
AB2C16D20 |
9.36 |
2.39 |
-8.71 |
-0.19 |
0 |
|
|
293620 |
117394527 |
1 |
ON2C16H20 |
AB2C16D20 |
9.07 |
0.25 |
-8.49 |
-0.55 |
0 |
|
|
293621 |
117394534 |
1 |
ON2C16H20 |
AB2C16D20 |
-1.6 |
4.91 |
-9.02 |
-0.07 |
0 |
|
|
293622 |
117394546 |
1 |
ON2C16H20 |
AB2C16D20 |
-1.52 |
1.34 |
-8.46 |
-0.49 |
0 |
|
|
293623 |
117394584 |
1 |
N4C15H20 |
A4B15C20 |
64.19 |
1.8 |
-8.9 |
-0.23 |
0 |
|
|
293624 |
117394585 |
1 |
N4C15H20 |
A4B15C20 |
62.59 |
1.13 |
-8.95 |
-0.51 |
0 |
|
|
293625 |
117394597 |
1 |
N4C15H20 |
A4B15C20 |
62.69 |
2.81 |
-8.61 |
0.36 |
0 |
|
|
293626 |
117394611 |
1 |
N4C15H20 |
A4B15C20 |
52.07 |
4.47 |
-8.61 |
0.08 |
0 |
|
|
293627 |
117394628 |
1 |
N4C15H20 |
A4B15C20 |
66.25 |
5.47 |
-8.8 |
-0.22 |
0 |
|
|
293628 |
117394635 |
1 |
N4C15H20 |
A4B15C20 |
67.51 |
4.43 |
-9.25 |
-0.7 |
0 |
|
|
293629 |
117394638 |
1 |
N4C15H20 |
A4B15C20 |
76.14 |
0.71 |
-9.22 |
-0.28 |
0 |
|
|
293630 |
117394649 |
1 |
N4C15H20 |
A4B15C20 |
59.35 |
2.82 |
-8.42 |
0.24 |
0 |
|
|
293631 |
117394651 |
1 |
N4C15H20 |
A4B15C20 |
60.03 |
2.54 |
-8.11 |
0.21 |
0 |
|
|
293632 |
117394658 |
1 |
SO3C13H20 |
AB3C13D20 |
-119.61 |
2.36 |
-8.02 |
-0.09 |
0 |
|
|
293633 |
117394660 |
1 |
SN2O2C12H20 |
AB2C2D12E20 |
-83.23 |
3.25 |
-8.81 |
0.16 |
0 |
|
|
293634 |
117394664 |
1 |
SO3C13H20 |
AB3C13D20 |
-111.87 |
5.36 |
-8.18 |
-0.25 |
0 |
|
|
293635 |
117394684 |
1 |
N2C17H24 |
A2B17C24 |
13.49 |
2.71 |
-8.94 |
-0.63 |
0 |
|
|
293636 |
117394696 |
1 |
N2C17H24 |
A2B17C24 |
3.27 |
1.41 |
-7.86 |
0.39 |
0 |
|
|
293637 |
117394697 |
1 |
N2C17H24 |
A2B17C24 |
32.39 |
2.35 |
-8.84 |
0.34 |
0 |
|
|
293638 |
117394908 |
1 |
ClO4C12H13 |
AB4C12D13 |
-146.81 |
7.82 |
-8.99 |
-0.65 |
0 |
|
|
293639 |
117394916 |
1 |
ClO4C12H13 |
AB4C12D13 |
-132.63 |
7.32 |
-9.01 |
-0.66 |
0 |
|
|
293640 |
117394917 |
1 |
ClO4C12H13 |
AB4C12D13 |
-139.95 |
2.18 |
-8.83 |
-0.55 |
0 |
|
|
293641 |
117394928 |
1 |
ClO4C12H13 |
AB4C12D13 |
-138.89 |
4.4 |
-9.21 |
-1.2 |
0 |
|
|
293642 |
117394979 |
1 |
ClO4C12H13 |
AB4C12D13 |
-148.43 |
7.15 |
-9.15 |
-0.99 |
0 |
|
|
293643 |
117394980 |
1 |
ClO4C12H13 |
AB4C12D13 |
-149.2 |
6.88 |
-9.1 |
-0.93 |
0 |
|
|
293644 |
117394982 |
1 |
ClO4C12H13 |
AB4C12D13 |
-160.43 |
4.91 |
-9.04 |
-0.74 |
0 |
|
|
293645 |
117395000 |
1 |
ClO4C12H13 |
AB4C12D13 |
-132.87 |
3.48 |
-8.58 |
-0.33 |
0 |
|
|
293646 |
117395088 |
1 |
ClFO2C13H14 |
ABC2D13E14 |
-125.52 |
4.95 |
-9.89 |
-0.62 |
0 |
|
|
293647 |
117395103 |
1 |
ClO3C13H17 |
AB3C13D17 |
-115.78 |
4.06 |
-8.96 |
-0.35 |
0 |
|
|
293648 |
117395134 |
1 |
ClO3C13H17 |
AB3C13D17 |
-129.97 |
5.38 |
-8.9 |
-0.21 |
0 |
|
|
293649 |
117395171 |
1 |
ClO3C13H17 |
AB3C13D17 |
-112.64 |
4.85 |
-8.44 |
-0.07 |
0 |
|
|
293650 |
117395193 |
1 |
ClO3C13H17 |
AB3C13D17 |
-106.09 |
5.17 |
-8.91 |
-0.3 |
0 |
|
|
293651 |
117395195 |
1 |
ClO3C13H17 |
AB3C13D17 |
-102.99 |
1.88 |
-8.73 |
-0.16 |
0 |
|
|
293652 |
117395211 |
1 |
ClO3C13H17 |
AB3C13D17 |
-97.94 |
2.93 |
-8.9 |
-0.24 |
0 |
|
|
293653 |
117395212 |
1 |
ClO3C13H17 |
AB3C13D17 |
-100.58 |
4.98 |
-8.62 |
-0.29 |
0 |
|
|
293654 |
117395224 |
1 |
ClO3C13H17 |
AB3C13D17 |
-152.36 |
4.57 |
-8.96 |
-0.23 |
0 |
|
|
293655 |
117395236 |
1 |
ClO3C13H17 |
AB3C13D17 |
-152.0 |
5.26 |
-8.95 |
-0.23 |
0 |
|
|
293656 |
117395237 |
1 |
ClO3C13H17 |
AB3C13D17 |
-137.23 |
4.36 |
-9.36 |
-0.29 |
0 |
|
|
293657 |
117395255 |
1 |
ClN2O2C12H17 |
AB2C2D12E17 |
-72.22 |
3.8 |
-8.96 |
-0.25 |
0 |
|
|
293658 |
117395256 |
1 |
ClO3C13H17 |
AB3C13D17 |
-139.33 |
5.32 |
-9.78 |
-0.65 |
0 |
|
|
293659 |
117395259 |
1 |
ClO3C13H17 |
AB3C13D17 |
-142.29 |
4.83 |
-9.25 |
-0.33 |
0 |
|
|
293660 |
117395268 |
1 |
ClO3C13H17 |
AB3C13D17 |
-144.27 |
7.4 |
-9.3 |
-0.25 |
0 |
|
|
293661 |
117395282 |
1 |
ClO3C13H17 |
AB3C13D17 |
-115.47 |
3.5 |
-8.9 |
-0.36 |
0 |
|
|
293662 |
117395285 |
1 |
ClO3C13H17 |
AB3C13D17 |
-133.35 |
3.19 |
-8.86 |
-0.3 |
0 |
|
|
293663 |
117395302 |
1 |
ClO3C13H17 |
AB3C13D17 |
-129.51 |
2.92 |
-8.76 |
-0.22 |
0 |
|
|
293664 |
117395558 |
1 |
BrO2C11H13 |
AB2C11D13 |
-54.77 |
4.23 |
-9.54 |
-0.28 |
0 |
|
|
293665 |
117395559 |
1 |
BrO2C11H13 |
AB2C11D13 |
-67.91 |
0.54 |
-9.59 |
-0.28 |
0 |
|
|
293666 |
117395605 |
1 |
BrO2C11H13 |
AB2C11D13 |
-46.59 |
1.68 |
-9.2 |
-0.35 |
0 |
|
|
293667 |
117395607 |
1 |
BrO2C11H13 |
AB2C11D13 |
-60.71 |
4.33 |
-9.2 |
-0.27 |
0 |
|
|
293668 |
117395731 |
1 |
OF3N3H10C11 |
AB3C3D10E11 |
-135.63 |
2.71 |
-9.01 |
-0.61 |
0 |
|
|
293669 |
117395732 |
1 |
OF3N3H10C11 |
AB3C3D10E11 |
-107.22 |
4.95 |
-8.86 |
-0.79 |
0 |
|
|
293670 |
117395749 |
1 |
OF3N3H10C11 |
AB3C3D10E11 |
-129.78 |
10.31 |
-8.6 |
-1.34 |
0 |
|
|
293671 |
117395773 |
1 |
FNO5C11H12 |
ABC5D11E12 |
-242.28 |
2.83 |
-9.53 |
-1.21 |
0 |
|
|
293672 |
117395971 |
1 |
FNO4C12H16 |
ABC4D12E16 |
-194.8 |
5.05 |
-9.68 |
-0.43 |
0 |
|
|
293673 |
117396032 |
1 |
FNO4C12H16 |
ABC4D12E16 |
-151.42 |
2.25 |
-8.64 |
-0.23 |
0 |
|
|
293674 |
117396485 |
1 |
NSO4C11H15 |
ABC4D11E15 |
-139.14 |
5.57 |
-9.12 |
-0.84 |
0 |
|
|
293675 |
117396486 |
1 |
NSO4C11H15 |
ABC4D11E15 |
-135.45 |
5.32 |
-9.18 |
-0.76 |
0 |
|
|
293676 |
117396502 |
1 |
NF3C14H18 |
AB3C14D18 |
-142.5 |
2.74 |
-8.87 |
-0.38 |
0 |
|
|
293677 |
117396503 |
1 |
NSO4C11H15 |
ABC4D11E15 |
-141.47 |
7.39 |
-9.01 |
-0.62 |
0 |
|
|
293678 |
117396528 |
1 |
FNO3C13H20 |
ABC3D13E20 |
-138.31 |
2.41 |
-8.26 |
0.22 |
0 |
|
|
293679 |
117396532 |
1 |
FNO3C13H20 |
ABC3D13E20 |
-146.8 |
2.33 |
-8.41 |
0.3 |
0 |
|
|
293680 |
117396540 |
1 |
FNO3C13H20 |
ABC3D13E20 |
-162.44 |
5.95 |
-8.59 |
-0.18 |
0 |
|
|
293681 |
117396620 |
1 |
FNSO2C12H16 |
ABCD2E12F16 |
-116.78 |
5.16 |
-9.29 |
-0.84 |
0 |
|
|
293682 |
117396635 |
1 |
FNSO2C12H16 |
ABCD2E12F16 |
-116.6 |
8.96 |
-9.68 |
-0.48 |
0 |
|
|
293683 |
117396641 |
1 |
NOF2C14H21 |
ABC2D14E21 |
-160.17 |
5.91 |
-9.0 |
-0.18 |
0 |
|
|
293684 |
117396696 |
1 |
NO2C16H19 |
AB2C16D19 |
-34.7 |
3.74 |
-8.47 |
-0.45 |
0 |
|
|
293685 |
117396703 |
1 |
NO2C16H19 |
AB2C16D19 |
-40.79 |
3.54 |
-8.48 |
0.19 |
0 |
|
|
293686 |
117396707 |
1 |
NO2C16H19 |
AB2C16D19 |
-43.34 |
2.87 |
-8.54 |
-0.01 |
0 |
|
|
293687 |
117396711 |
1 |
NO2C16H19 |
AB2C16D19 |
-59.32 |
2.6 |
-7.89 |
0.02 |
0 |
|
|
293688 |
117396713 |
1 |
NO2C16H19 |
AB2C16D19 |
-44.16 |
2.49 |
-8.36 |
-0.36 |
0 |
|
|
293689 |
117396717 |
1 |
NO2C16H19 |
AB2C16D19 |
-45.24 |
2.17 |
-8.46 |
-0.46 |
0 |
|
|
293690 |
117396722 |
1 |
NO2C16H19 |
AB2C16D19 |
-44.79 |
1.72 |
-8.48 |
0.05 |
0 |
|
|
293691 |
117396750 |
1 |
NO2C16H19 |
AB2C16D19 |
-70.35 |
3.94 |
-8.91 |
-0.09 |
0 |
|
|
293692 |
117396833 |
1 |
ON3C15H19 |
AB3C15D19 |
37.06 |
4.51 |
-9.18 |
-0.59 |
0 |
|
|
293693 |
117396864 |
1 |
ON3C15H19 |
AB3C15D19 |
-9.8 |
4.37 |
-8.52 |
-0.02 |
0 |
|
|
293694 |
117396888 |
1 |
ON3C15H19 |
AB3C15D19 |
6.91 |
2.15 |
-8.66 |
-0.25 |
0 |
|
|
293695 |
117396908 |
1 |
ON3C15H19 |
AB3C15D19 |
8.28 |
4.11 |
-8.5 |
-0.08 |
0 |
|
|
293696 |
117396947 |
1 |
ON3C15H19 |
AB3C15D19 |
2.05 |
5.25 |
-8.24 |
-0.24 |
0 |
|
|
293697 |
117397123 |
1 |
NSO3C12H19 |
ABC3D12E19 |
-123.19 |
7.68 |
-9.3 |
-0.25 |
0 |
|
|
293698 |
117397126 |
1 |
NSO3C12H19 |
ABC3D12E19 |
-102.64 |
4.91 |
-8.33 |
-0.32 |
0 |
|
|
293699 |
117397128 |
1 |
NSO3C12H19 |
ABC3D12E19 |
-129.04 |
3.85 |
-9.13 |
-0.36 |
0 |