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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
69751 |
47205323 |
2 |
ClNOC7H8 |
ABCD7E8 |
-90.09 |
3.81 |
-9.69 |
-0.81 |
0 |
|
|
69752 |
47205324 |
1 |
BrClN2O2C14H16 |
ABC2D2E14F16 |
-77.05 |
3.35 |
-9.72 |
-0.88 |
0 |
|
|
69753 |
47205327 |
2 |
NOC8H11 |
ABC8D11 |
-90.36 |
3.08 |
-9.26 |
0.02 |
0 |
|
|
69754 |
47205328 |
1 |
ClSN2O2C12H15 |
ABC2D2E12F15 |
-68.89 |
3.43 |
-9.53 |
-0.97 |
0 |
|
|
69755 |
47205329 |
2 |
NOC8H11 |
ABC8D11 |
-93.1 |
3.13 |
-9.34 |
0.08 |
0 |
|
|
69756 |
47205330 |
1 |
ClN2O3C14H17 |
AB2C3D14E17 |
-131.74 |
5.16 |
-9.1 |
-0.82 |
0 |
|
|
69757 |
47205331 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-127.5 |
1.99 |
-9.07 |
0.25 |
0 |
|
|
69758 |
47205332 |
1 |
SO2N3C14H19 |
AB2C3D14E19 |
-63.95 |
2.44 |
-8.74 |
-0.64 |
0 |
|
|
69759 |
47205333 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-101.97 |
5.04 |
-9.64 |
0.18 |
0 |
|
|
69760 |
47205336 |
2 |
NOC8H11 |
ABC8D11 |
-90.34 |
2.86 |
-9.25 |
0.23 |
0 |
|
|
69761 |
47205338 |
1 |
SN2O2C12H16 |
AB2C2D12E16 |
-65.07 |
3.58 |
-9.35 |
-0.52 |
0 |
|
|
69762 |
47205340 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-72.86 |
4.12 |
-9.69 |
-0.46 |
0 |
|
|
69763 |
47205347 |
1 |
ON3C16H19 |
AB3C16D19 |
-0.07 |
8.1 |
-8.56 |
-0.23 |
0 |
|
|
69764 |
47205348 |
1 |
N3O3C13H15 |
A3B3C13D15 |
-11.97 |
6.31 |
-9.95 |
-1.49 |
0 |
|
|
69765 |
47205349 |
1 |
N2O3C14H16 |
A2B3C14D16 |
-79.73 |
6.47 |
-9.91 |
-1.16 |
0 |
|
|
69766 |
47205351 |
1 |
O3N4C13H16 |
A3B4C13D16 |
-7.76 |
10.68 |
-9.35 |
-1.31 |
0 |
|
|
69767 |
47205354 |
1 |
ClS2N3O3C11H12 |
AB2C3D3E11F12 |
-77.43 |
4.61 |
-9.36 |
-1.05 |
0 |
|
|
69768 |
47205356 |
1 |
S2N3O4C11H13 |
A2B3C4D11E13 |
-75.35 |
4.59 |
-9.64 |
-1.1 |
0 |
|
|
69769 |
47205357 |
1 |
ClSN2O4C11H13 |
ABC2D4E11F13 |
-138.92 |
4.64 |
-9.96 |
-0.8 |
0 |
|
|
69770 |
47205358 |
1 |
ON4C11H18 |
AB4C11D18 |
-26.76 |
3.64 |
-8.99 |
-0.06 |
0 |
|
|
69771 |
47205359 |
1 |
ON3C16H23 |
AB3C16D23 |
-16.56 |
6.49 |
-8.41 |
-0.21 |
0 |
|
|
69772 |
47205360 |
1 |
ON2C17H20 |
AB2C17D20 |
-9.89 |
5.59 |
-8.77 |
0.27 |
0 |
|
|
69773 |
47205361 |
1 |
O2N3C13H13 |
A2B3C13D13 |
14.29 |
0.93 |
-9.5 |
-1.22 |
0 |
|
|
69774 |
47205362 |
2 |
ON2C6H9 |
AB2C6D9 |
-58.2 |
6.06 |
-9.15 |
-0.2 |
0 |
|
|
69775 |
47205376 |
1 |
O2N4C11H18 |
A2B4C11D18 |
-55.22 |
2.98 |
-9.2 |
-0.22 |
0 |
|
|
69776 |
47205378 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-72.92 |
6.84 |
-8.96 |
-0.26 |
0 |
|
|
69777 |
47205380 |
1 |
ON3C14H17 |
AB3C14D17 |
-6.68 |
4.32 |
-9.01 |
-0.17 |
0 |
|
|
69778 |
47205384 |
1 |
N3O3C12H13 |
A3B3C12D13 |
0.56 |
4.41 |
-10.18 |
-1.83 |
0 |
|
|
69779 |
47205386 |
1 |
O2N3C14H17 |
A2B3C14D17 |
-49.45 |
7.76 |
-9.28 |
-0.47 |
0 |
|
|
69780 |
47205387 |
1 |
ON2S2C15H18 |
AB2C2D15E18 |
5.75 |
6.01 |
-9.14 |
-0.71 |
0 |
|
|
69781 |
47205388 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-81.07 |
4.13 |
-9.06 |
-0.19 |
0 |
|
|
69782 |
47205389 |
1 |
ClN3O3C12H12 |
AB3C3D12E12 |
-7.41 |
3.01 |
-10.22 |
-2.06 |
0 |
|
|
69783 |
47205390 |
1 |
ON3C13H13 |
AB3C13D13 |
36.48 |
4.76 |
-10.02 |
-1.23 |
0 |
|
|
69784 |
47205391 |
1 |
ON2C16H16 |
AB2C16D16 |
19.85 |
7.41 |
-9.29 |
-0.86 |
0 |
|
|
69785 |
47205392 |
1 |
ClFOSN2H12C14 |
ABCDE2F12G14 |
-34.11 |
6.51 |
-9.27 |
-1.37 |
0 |
|
|
69786 |
47205394 |
1 |
ON4C15H18 |
AB4C15D18 |
12.53 |
5.32 |
-8.88 |
-0.07 |
0 |
|
|
69787 |
47205395 |
1 |
N3O4C12H15 |
A3B4C12D15 |
-71.34 |
7.86 |
-9.81 |
-1.67 |
0 |
|
|
69788 |
47205398 |
1 |
ON2C16H20 |
AB2C16D20 |
-16.37 |
5.25 |
-8.8 |
0.19 |
0 |
|
|
69789 |
47205399 |
1 |
ON5C13H17 |
AB5C13D17 |
29.0 |
4.39 |
-9.32 |
-1.35 |
0 |
|
|
69790 |
47205403 |
1 |
SN2O3C10H20 |
AB2C3D10E20 |
-146.57 |
5.57 |
-9.78 |
0.65 |
0 |
|
|
69791 |
47205404 |
1 |
ON3C14H15 |
AB3C14D15 |
61.76 |
5.28 |
-8.49 |
-0.25 |
0 |
|
|
69792 |
47205405 |
1 |
FON3C14H16 |
ABC3D14E16 |
-41.49 |
5.99 |
-9.34 |
-0.22 |
0 |
|
|
69793 |
47205406 |
1 |
O3N4C12H12 |
A3B4C12D12 |
-24.19 |
2.07 |
-9.29 |
-0.81 |
0 |
|
|
69794 |
47205407 |
1 |
ON4C12H14 |
AB4C12D14 |
11.95 |
7.07 |
-9.24 |
-0.7 |
0 |
|
|
69795 |
47205408 |
1 |
ON5C13H15 |
AB5C13D15 |
17.51 |
4.38 |
-9.08 |
-0.49 |
0 |
|
|
69796 |
47205412 |
1 |
SN3O4C11H21 |
AB3C4D11E21 |
-188.12 |
7.43 |
-10.02 |
0.4 |
0 |
|
|
69797 |
47205414 |
1 |
ON5C10H13 |
AB5C10D13 |
41.33 |
5.81 |
-9.12 |
0.18 |
0 |
|
|
69798 |
47205415 |
1 |
SO3N4C10H16 |
AB3C4D10E16 |
-78.96 |
10.5 |
-9.13 |
0.07 |
0 |
|
|
69799 |
47205416 |
1 |
O2N3C15H21 |
A2B3C15D21 |
-70.46 |
4.6 |
-8.92 |
-0.08 |
0 |
|
|
69800 |
47205417 |
1 |
N3O3C11H11 |
A3B3C11D11 |
7.39 |
2.46 |
-9.78 |
-1.37 |
0 |
|
|
69801 |
47205418 |
3 |
NOC4H5 |
ABC4D5 |
-65.35 |
6.75 |
-9.01 |
-0.47 |
0 |
|
|
69802 |
47205421 |
1 |
ClN2O3C13H15 |
AB2C3D13E15 |
-112.1 |
1.92 |
-9.12 |
-0.88 |
0 |
|
|
69803 |
47205422 |
1 |
OSN5C12H15 |
ABC5D12E15 |
20.36 |
3.7 |
-9.16 |
-0.63 |
0 |
|
|
69804 |
47205423 |
1 |
N3O3C12H19 |
A3B3C12D19 |
-86.07 |
2.6 |
-9.72 |
-0.51 |
0 |
|
|
69805 |
47205424 |
1 |
OSN4H10C13 |
ABC4D10E13 |
71.17 |
8.74 |
-9.39 |
-0.84 |
0 |
|
|
69806 |
47205425 |
1 |
OSH7N7C9 |
ABC7D7E9 |
112.61 |
9.81 |
-9.63 |
-1.72 |
0 |
|
|
69807 |
47205427 |
1 |
SO2N5H11C12 |
AB2C5D11E12 |
2.78 |
7.19 |
-9.35 |
-1.1 |
0 |
|
|
69808 |
47205428 |
1 |
OSN6C9H10 |
ABC6D9E10 |
61.5 |
6.69 |
-9.39 |
-1.14 |
0 |
|
|
69809 |
47205429 |
1 |
S2O3N4C8H12 |
A2B3C4D8E12 |
-67.17 |
7.45 |
-9.81 |
-1.5 |
0 |
|
|
69810 |
47205430 |
1 |
S2O3N4C10H16 |
A2B3C4D10E16 |
-84.07 |
8.47 |
-9.72 |
-1.33 |
0 |
|
|
69811 |
47205434 |
1 |
N3O3C14H15 |
A3B3C14D15 |
-71.54 |
3.0 |
-9.3 |
-0.98 |
0 |
|
|
69812 |
47205435 |
1 |
SN3O3C13H17 |
AB3C3D13E17 |
-82.73 |
4.47 |
-9.28 |
-0.3 |
0 |
|
|
69813 |
47205436 |
1 |
BrNOH14C16 |
ABCD14E16 |
25.4 |
4.3 |
-9.72 |
-0.61 |
0 |
|
|
69814 |
47205437 |
1 |
N2O3C14H16 |
A2B3C14D16 |
-81.34 |
4.31 |
-9.9 |
-1.12 |
0 |
|
|
69815 |
47205440 |
1 |
BrN2O3S3C11H11 |
AB2C3D3E11F11 |
-53.04 |
3.3 |
-9.59 |
-1.01 |
0 |
|
|
69816 |
47205441 |
1 |
N2S2O3C13H18 |
A2B2C3D13E18 |
-93.87 |
3.05 |
-9.64 |
-1.09 |
0 |
|
|
69817 |
47205442 |
1 |
SN2O3C14H18 |
AB2C3D14E18 |
-106.51 |
5.97 |
-8.74 |
-0.29 |
0 |
|
|
69818 |
47205443 |
1 |
SN2O3C13H24 |
AB2C3D13E24 |
-155.15 |
5.33 |
-9.85 |
0.71 |
0 |
|
|
69819 |
47205445 |
1 |
ON4C15H24 |
AB4C15D24 |
-34.04 |
3.86 |
-8.83 |
-0.09 |
0 |
|
|
69820 |
47205446 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-113.87 |
5.94 |
-9.71 |
0.02 |
0 |
|
|
69821 |
47205447 |
1 |
ClSN2O3C13H17 |
ABC2D3E13F17 |
-116.03 |
4.03 |
-9.77 |
-0.58 |
0 |
|
|
69822 |
47205448 |
1 |
SN2O3C14H24 |
AB2C3D14E24 |
-142.73 |
5.23 |
-9.38 |
0.7 |
0 |
|
|
69823 |
47205453 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-122.83 |
5.34 |
-8.69 |
0.0 |
0 |
|
|
69824 |
47205454 |
1 |
FSN2O3C12H15 |
ABC2D3E12F15 |
-151.65 |
3.79 |
-9.14 |
-0.4 |
0 |
|
|
69825 |
47205455 |
1 |
SN2O4C13H20 |
AB2C4D13E20 |
-146.8 |
7.95 |
-9.21 |
0.23 |
0 |
|
|
69826 |
47205458 |
2 |
ON2C6H9 |
AB2C6D9 |
-19.48 |
4.26 |
-8.76 |
-0.02 |
0 |
|
|
69827 |
47205462 |
1 |
SN2O4C13H18 |
AB2C4D13E18 |
-143.73 |
5.83 |
-8.49 |
-0.1 |
0 |
|
|
69828 |
47205468 |
1 |
OF2N3C14H15 |
AB2C3D14E15 |
-87.12 |
6.23 |
-9.36 |
-0.7 |
0 |
|
|
69829 |
47205484 |
1 |
O3N4C12H12 |
A3B4C12D12 |
-26.78 |
1.19 |
-9.54 |
-0.84 |
0 |
|
|
69830 |
47205485 |
1 |
SN3O3C12H17 |
AB3C3D12E17 |
-105.07 |
8.82 |
-9.51 |
-0.61 |
0 |
|
|
69831 |
47205486 |
1 |
ON5C13H15 |
AB5C13D15 |
22.36 |
2.47 |
-9.22 |
-0.31 |
0 |
|
|
69832 |
47205499 |
1 |
ClSN2O3C13H17 |
ABC2D3E13F17 |
-123.68 |
5.19 |
-8.98 |
-0.34 |
0 |
|
|
69833 |
47205500 |
1 |
OSN4C14H18 |
ABC4D14E18 |
4.92 |
2.66 |
-9.18 |
-0.71 |
0 |
|
|
69834 |
47205501 |
1 |
SO3N4C11H12 |
AB3C4D11E12 |
-28.96 |
3.23 |
-9.46 |
-0.79 |
0 |
|
|
69835 |
47205502 |
1 |
OSN3C13H15 |
ABC3D13E15 |
16.59 |
5.58 |
-9.2 |
-0.29 |
0 |
|
|
69836 |
47205503 |
1 |
OSN4C14H18 |
ABC4D14E18 |
4.32 |
8.87 |
-9.22 |
-0.89 |
0 |
|
|
69837 |
47205507 |
1 |
O2N4C13H16 |
A2B4C13D16 |
-22.94 |
3.78 |
-9.46 |
-0.31 |
0 |
|
|
69838 |
47205508 |
1 |
N3O3H13C14 |
A3B3C13D14 |
-29.74 |
1.68 |
-8.93 |
-0.76 |
0 |
|
|
69839 |
47205509 |
1 |
O2N5C13H17 |
A2B5C13D17 |
-6.79 |
4.97 |
-9.17 |
-1.45 |
0 |
|
|
69840 |
47205510 |
1 |
OSN5C13H19 |
ABC5D13E19 |
18.17 |
5.85 |
-9.35 |
-1.37 |
0 |
|
|
69841 |
47205515 |
1 |
ON2C17H22 |
AB2C17D22 |
-23.29 |
3.91 |
-9.15 |
-0.03 |
0 |
|
|
69842 |
47205521 |
1 |
ClFN2O2C12H14 |
ABC2D2E12F14 |
-137.73 |
6.93 |
-9.05 |
-0.44 |
0 |
|
|
69843 |
47205524 |
2 |
NOC7H10 |
ABC7D10 |
-93.1 |
3.97 |
-9.1 |
0.4 |
0 |
|
|
69844 |
47205525 |
1 |
N3O3C14H19 |
A3B3C14D19 |
-107.62 |
5.01 |
-9.54 |
-0.32 |
0 |
|
|
69845 |
47205535 |
1 |
BrN2O2C12H15 |
AB2C2D12E15 |
-80.2 |
6.04 |
-9.05 |
-0.27 |
0 |
|
|
69846 |
47205542 |
1 |
SN3O4C12H23 |
AB3C4D12E23 |
-193.83 |
6.03 |
-9.84 |
0.54 |
0 |
|
|
69847 |
47205548 |
1 |
ClSN2O4C12H15 |
ABC2D4E12F15 |
-147.17 |
3.97 |
-9.7 |
-0.55 |
0 |
|
|
69848 |
47205550 |
1 |
ON5C14H17 |
AB5C14D17 |
20.21 |
4.87 |
-8.93 |
-0.36 |
0 |
|
|
69849 |
47205551 |
1 |
SN3O3C12H15 |
AB3C3D12E15 |
-83.6 |
4.98 |
-9.18 |
-0.74 |
0 |
|
|
69850 |
47205555 |
1 |
NSO4C10H13 |
ABC4D10E13 |
-155.05 |
7.0 |
-9.02 |
-0.41 |
0 |