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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
295600 |
117536639 |
1 |
Cl2N3H7C10 |
A2B3C7D10 |
61.15 |
5.19 |
-9.15 |
-0.99 |
0 |
|
|
295601 |
117536937 |
1 |
ON2C15H24 |
AB2C15D24 |
-35.25 |
3.42 |
-8.66 |
0.3 |
0 |
|
|
295602 |
117537002 |
1 |
ON3C12H17 |
AB3C12D17 |
23.47 |
2.27 |
-9.14 |
0.59 |
0 |
|
|
295603 |
117537061 |
3 |
NC4H9 |
AB4C9 |
-25.43 |
1.15 |
-8.38 |
2.43 |
0 |
|
|
295604 |
117537234 |
1 |
ON2C14H18 |
AB2C14D18 |
-22.63 |
2.08 |
-9.31 |
0.24 |
0 |
|
|
295605 |
117537276 |
1 |
ClFNOC13H17 |
ABCDE13F17 |
-107.56 |
4.15 |
-9.59 |
0.06 |
0 |
|
|
295606 |
117537336 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-94.99 |
3.5 |
-8.5 |
0.34 |
0 |
|
|
295607 |
117537355 |
1 |
ON2C16H26 |
AB2C16D26 |
-61.84 |
3.88 |
-9.07 |
0.33 |
0 |
|
|
295608 |
117537427 |
1 |
ClON2C13H19 |
ABC2D13E19 |
-55.39 |
2.22 |
-9.22 |
-0.06 |
0 |
|
|
295609 |
117537844 |
1 |
O4C15H22 |
A4B15C22 |
-145.94 |
3.89 |
-8.79 |
-0.11 |
0 |
|
|
295610 |
117538745 |
1 |
ON2C12H14 |
AB2C12D14 |
4.31 |
2.5 |
-8.49 |
-0.26 |
0 |
|
|
295611 |
117538782 |
2 |
NOC6H7 |
ABC6D7 |
-25.35 |
1.38 |
-8.61 |
-0.25 |
0 |
|
|
295612 |
117538810 |
1 |
ON2C13H16 |
AB2C13D16 |
-6.09 |
1.81 |
-8.77 |
0.37 |
0 |
|
|
295613 |
117538812 |
2 |
NOC7H9 |
ABC7D9 |
-36.42 |
1.2 |
-8.32 |
-0.02 |
0 |
|
|
295614 |
117538813 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-30.79 |
2.01 |
-8.33 |
-0.09 |
0 |
|
|
295615 |
117538827 |
1 |
ON2C11H12 |
AB2C11D12 |
13.19 |
2.55 |
-8.52 |
-0.01 |
0 |
|
|
295616 |
117538828 |
1 |
ON2C12H14 |
AB2C12D14 |
4.36 |
2.12 |
-8.48 |
0.11 |
0 |
|
|
295617 |
117538832 |
1 |
FON2C11H11 |
ABC2D11E11 |
-35.23 |
3.89 |
-8.62 |
-0.23 |
0 |
|
|
295618 |
117538837 |
1 |
ClON2C11H11 |
ABC2D11E11 |
5.72 |
2.38 |
-8.64 |
-0.2 |
0 |
|
|
295619 |
117538840 |
1 |
ON2C14H18 |
AB2C14D18 |
-6.19 |
1.76 |
-8.38 |
0.07 |
0 |
|
|
295620 |
117538844 |
1 |
ON2C15H20 |
AB2C15D20 |
-11.07 |
1.88 |
-8.35 |
0.08 |
0 |
|
|
295621 |
117538847 |
1 |
N2O3C12H12 |
A2B3C12D12 |
-51.55 |
2.5 |
-8.35 |
-0.27 |
0 |
|
|
295622 |
117538967 |
1 |
FON2C12H13 |
ABC2D12E13 |
-41.75 |
2.98 |
-8.74 |
0.09 |
0 |
|
|
295623 |
117539003 |
2 |
NOC6H7 |
ABC6D7 |
-31.65 |
1.57 |
-8.76 |
0.29 |
0 |
|
|
295624 |
117539013 |
1 |
BrON2H9C10 |
ABC2D9E10 |
18.39 |
3.49 |
-9.15 |
-0.16 |
0 |
|
|
295625 |
117539015 |
1 |
FON2H9C10 |
ABC2D9E10 |
-31.88 |
2.51 |
-9.13 |
-0.07 |
0 |
|
|
295626 |
117539394 |
1 |
ON2C7H12 |
AB2C7D12 |
-24.46 |
3.09 |
-8.9 |
0.37 |
0 |
|
|
295627 |
117539426 |
1 |
N2O3C13H16 |
A2B3C13D16 |
-65.28 |
3.66 |
-8.52 |
0.29 |
0 |
|
|
295628 |
117539636 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-66.74 |
2.73 |
-8.2 |
0.14 |
0 |
|
|
295629 |
117539840 |
1 |
SN2C9H16 |
AB2C9D16 |
5.37 |
1.69 |
-8.56 |
-0.05 |
0 |
|
|
295630 |
117539854 |
1 |
ClOSN2C12H13 |
ABCD2E12F13 |
-1.41 |
2.48 |
-8.74 |
-0.16 |
0 |
|
|
295631 |
117540169 |
1 |
BrSN2C13H15 |
ABC2D13E15 |
38.42 |
3.03 |
-8.57 |
-0.18 |
0 |
|
|
295632 |
117540183 |
2 |
N2C5H6 |
A2B5C6 |
51.8 |
3.87 |
-9.01 |
0.04 |
0 |
|
|
295633 |
117540305 |
3 |
NC4H5 |
AB4C5 |
33.19 |
3.01 |
-8.97 |
0.16 |
0 |
|
|
295634 |
117540322 |
3 |
NC4H5 |
AB4C5 |
41.65 |
3.06 |
-8.82 |
0.3 |
0 |
|
|
295635 |
117540371 |
1 |
N3C11H19 |
A3B11C19 |
3.6 |
3.21 |
-8.82 |
0.82 |
0 |
|
|
295636 |
117540393 |
1 |
N3C13H17 |
A3B13C17 |
28.09 |
2.78 |
-8.75 |
0.63 |
0 |
|
|
295637 |
117540459 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-27.9 |
2.89 |
-8.29 |
0.2 |
0 |
|
|
295638 |
117540529 |
1 |
BrN2O2C14H17 |
AB2C2D14E17 |
-48.8 |
6.15 |
-8.53 |
0.23 |
0 |
|
|
295639 |
117540976 |
1 |
BrSN2O2C12H13 |
ABC2D2E12F13 |
-12.06 |
2.39 |
-8.15 |
-0.54 |
0 |
|
|
295640 |
117541072 |
1 |
BrSN2C11H17 |
ABC2D11E17 |
7.77 |
1.77 |
-8.82 |
-0.54 |
0 |
|
|
295641 |
117541098 |
1 |
BrSN2C9H15 |
ABC2D9E15 |
14.02 |
2.56 |
-8.59 |
-0.45 |
0 |
|
|
295642 |
117541205 |
1 |
BrOSN2C12H13 |
ABCD2E12F13 |
1.51 |
4.22 |
-8.84 |
-0.76 |
0 |
|
|
295643 |
117541241 |
1 |
BrOSN2C13H15 |
ABCD2E13F15 |
2.64 |
3.97 |
-8.63 |
-0.54 |
0 |
|
|
295644 |
117541277 |
1 |
NOCl2C10H13 |
ABC2D10E13 |
-45.7 |
3.89 |
-9.28 |
-0.62 |
0 |
|
|
295645 |
117541280 |
1 |
NO2C12H19 |
AB2C12D19 |
-77.53 |
4.38 |
-8.67 |
0.09 |
0 |
|
|
295646 |
117541307 |
1 |
NOC14H23 |
ABC14D23 |
-50.17 |
3.26 |
-8.98 |
0.26 |
0 |
|
|
295647 |
117541311 |
1 |
NOC15H25 |
ABC15D25 |
-55.33 |
3.33 |
-8.96 |
0.26 |
0 |
|
|
295648 |
117541337 |
1 |
NO2C14H23 |
AB2C14D23 |
-83.31 |
3.58 |
-8.67 |
0.24 |
0 |
|
|
295649 |
117541369 |
1 |
NO2C14H23 |
AB2C14D23 |
-77.71 |
2.67 |
-8.42 |
0.51 |
0 |
|
|
295650 |
117541373 |
1 |
NOCl2C11H15 |
ABC2D11E15 |
-42.59 |
3.32 |
-9.01 |
-0.33 |
0 |
|
|
295651 |
117541375 |
1 |
FNO2C12H18 |
ABC2D12E18 |
-110.0 |
1.93 |
-8.77 |
-0.03 |
0 |
|
|
295652 |
117541413 |
2 |
O2C7H10 |
A2B7C10 |
-160.64 |
3.56 |
-8.38 |
-0.14 |
0 |
|
|
295653 |
117541506 |
1 |
BrN2O2H9C11 |
AB2C2D9E11 |
-17.26 |
4.89 |
-9.09 |
-1.16 |
0 |
|
|
295654 |
117541518 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-39.46 |
3.84 |
-8.73 |
-0.64 |
0 |
|
|
295655 |
117541543 |
1 |
N2O5C12H12 |
A2B5C12D12 |
-143.09 |
6.81 |
-8.73 |
-0.73 |
0 |
|
|
295656 |
117541544 |
3 |
NOH3C4 |
ABC3D4 |
-49.07 |
5.57 |
-8.62 |
-0.95 |
0 |
|
|
295657 |
117541575 |
3 |
NOH3C4 |
ABC3D4 |
-44.97 |
3.83 |
-8.6 |
-0.99 |
0 |
|
|
295658 |
117541614 |
1 |
N2O4H12C13 |
A2B4C12D13 |
-91.16 |
2.87 |
-8.53 |
-0.87 |
0 |
|
|
295659 |
117541645 |
1 |
N3O3H9C10 |
A3B3C9D10 |
-48.98 |
5.83 |
-9.54 |
-1.36 |
0 |
|
|
295660 |
117541686 |
1 |
ON4C12H14 |
AB4C12D14 |
31.58 |
2.48 |
-8.73 |
-0.12 |
0 |
|
|
295661 |
117541695 |
1 |
ON3C15H19 |
AB3C15D19 |
8.7 |
2.41 |
-8.71 |
0.38 |
0 |
|
|
295662 |
117541706 |
1 |
ON4C15H16 |
AB4C15D16 |
39.37 |
1.98 |
-8.42 |
0.05 |
0 |
|
|
295663 |
117541733 |
1 |
ClON3C13H14 |
ABC3D13E14 |
11.69 |
3.32 |
-8.86 |
-0.12 |
0 |
|
|
295664 |
117541759 |
1 |
N2O2C15H26 |
A2B2C15D26 |
-119.89 |
3.53 |
-9.06 |
0.08 |
0 |
|
|
295665 |
117541793 |
1 |
N2O2C11H18 |
A2B2C11D18 |
-100.74 |
2.56 |
-9.04 |
0.0 |
0 |
|
|
295666 |
117541839 |
1 |
BrN2O3H13C14 |
AB2C3D13E14 |
-64.16 |
3.28 |
-9.08 |
-0.93 |
0 |
|
|
295667 |
117541870 |
1 |
BrSN2O2H9C12 |
ABC2D2E9F12 |
-3.21 |
1.77 |
-9.13 |
-1.06 |
0 |
|
|
295668 |
117541882 |
1 |
BrN2O2C11H13 |
AB2C2D11E13 |
-52.14 |
0.81 |
-9.07 |
-1.03 |
0 |
|
|
295669 |
117541883 |
1 |
BrN2O2C11H13 |
AB2C2D11E13 |
-51.12 |
0.95 |
-9.1 |
-1.04 |
0 |
|
|
295670 |
117541921 |
1 |
BrN2O2C15H15 |
AB2C2D15E15 |
-13.74 |
5.9 |
-8.48 |
-0.38 |
0 |
|
|
295671 |
117541935 |
1 |
SO2N3H11C12 |
AB2C3D11E12 |
-8.33 |
4.89 |
-8.48 |
-0.5 |
0 |
|
|
295672 |
117542035 |
1 |
BrN2O2C9H9 |
AB2C2D9E9 |
-46.9 |
2.28 |
-9.24 |
-1.09 |
0 |
|
|
295673 |
117542049 |
1 |
BrFN2O2H8C13 |
ABC2D2E8F13 |
-65.69 |
2.84 |
-9.4 |
-1.17 |
0 |
|
|
295674 |
117542112 |
1 |
BrO2N3H10C13 |
AB2C3D10E13 |
-3.62 |
2.97 |
-9.21 |
-1.12 |
0 |
|
|
295675 |
117542114 |
1 |
BrN2O2H13C15 |
AB2C2D13E15 |
-23.6 |
2.4 |
-8.95 |
-0.94 |
0 |
|
|
295676 |
117542117 |
1 |
BrFN2O2H10C14 |
ABC2D2E10F14 |
-61.06 |
2.88 |
-9.06 |
-0.98 |
0 |
|
|
295677 |
117542118 |
1 |
BrFN2O2H10C14 |
ABC2D2E10F14 |
-62.5 |
2.31 |
-9.12 |
-1.05 |
0 |
|
|
295678 |
117542143 |
1 |
ON2C16H18 |
AB2C16D18 |
5.96 |
3.49 |
-8.46 |
0.02 |
0 |
|
|
295679 |
117542226 |
1 |
F2O2C11H14 |
A2B2C11D14 |
-175.66 |
2.41 |
-8.39 |
0.1 |
0 |
|
|
295680 |
117542287 |
1 |
BrNOSC13H16 |
ABCDE13F16 |
-41.05 |
1.15 |
-8.75 |
-0.72 |
0 |
|
|
295681 |
117542291 |
1 |
BrOSN2H11C14 |
ABCD2E11F14 |
19.69 |
2.6 |
-8.88 |
-0.82 |
0 |
|
|
295682 |
117542342 |
1 |
NOSH15C16 |
ABCD15E16 |
-6.05 |
2.3 |
-8.66 |
-0.56 |
0 |
|
|
295683 |
117542346 |
1 |
FNOSH10C14 |
ABCDE10F14 |
-40.15 |
3.48 |
-8.86 |
-0.79 |
0 |
|
|
295684 |
117542358 |
1 |
BrNOSH12C15 |
ABCDE12F15 |
12.22 |
3.89 |
-8.79 |
-0.74 |
0 |
|
|
295685 |
117542398 |
1 |
ON2S2H10C12 |
AB2C2D10E12 |
8.94 |
4.51 |
-8.36 |
-0.54 |
0 |
|
|
295686 |
117542404 |
1 |
BrOSN2H11C14 |
ABCD2E11F14 |
6.16 |
4.26 |
-8.37 |
-0.53 |
0 |
|
|
295687 |
117542418 |
1 |
BrOSN2H11C14 |
ABCD2E11F14 |
11.99 |
5.16 |
-8.76 |
-0.82 |
0 |
|
|
295688 |
117542437 |
1 |
BrFNOSH9C14 |
ABCDEF9G14 |
-40.16 |
3.42 |
-9.03 |
-0.98 |
0 |
|
|
295689 |
117542479 |
2 |
NO2C6H7 |
AB2C6D7 |
-140.2 |
5.52 |
-9.24 |
-0.41 |
0 |
|
|
295690 |
117542490 |
1 |
BrN2O3C11H11 |
AB2C3D11E11 |
-96.8 |
5.0 |
-9.96 |
-0.76 |
0 |
|
|
295691 |
117542498 |
1 |
N2O3C13H16 |
A2B3C13D16 |
-118.85 |
6.89 |
-9.52 |
-0.13 |
0 |
|
|
295692 |
117542560 |
1 |
N2O3C13H18 |
A2B3C13D18 |
-113.14 |
7.94 |
-9.18 |
-0.27 |
0 |
|
|
295693 |
117542803 |
1 |
ClN2O2C12H15 |
AB2C2D12E15 |
-72.92 |
5.76 |
-9.74 |
-0.48 |
0 |
|
|
295694 |
117542829 |
1 |
N2O3C8H8 |
A2B3C8D8 |
-76.74 |
7.69 |
-10.03 |
-0.4 |
0 |
|
|
295695 |
117542833 |
1 |
O2N3C9H9 |
A2B3C9D9 |
-34.94 |
5.99 |
-10.34 |
-0.89 |
0 |
|
|
295696 |
117542864 |
1 |
FN2O3C11H11 |
AB2C3D11E11 |
-128.52 |
7.59 |
-9.34 |
-0.5 |
0 |
|
|
295697 |
117542893 |
1 |
FN2C12H17 |
AB2C12D17 |
-24.01 |
2.15 |
-8.4 |
-0.01 |
0 |
|
|
295698 |
117542897 |
1 |
ClN2C12H17 |
AB2C12D17 |
15.6 |
1.31 |
-8.27 |
-0.05 |
0 |
|
|
295699 |
117542899 |
1 |
ClN2C12H17 |
AB2C12D17 |
13.79 |
2.39 |
-8.42 |
-0.08 |
0 |