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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
71352 |
48414671 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-6.9 |
3.78 |
-8.75 |
-0.19 |
0 |
|
|
71353 |
48414673 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-50.02 |
3.98 |
-8.71 |
-0.33 |
0 |
|
|
71354 |
48414674 |
2 |
NOC7H9 |
ABC7D9 |
-7.25 |
3.3 |
-8.82 |
0.22 |
0 |
|
|
71355 |
48414675 |
1 |
BrN2O2C16H19 |
AB2C2D16E19 |
-0.84 |
5.27 |
-8.86 |
-0.44 |
0 |
|
|
71356 |
48414676 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-58.98 |
4.09 |
-8.73 |
-0.18 |
0 |
|
|
71357 |
48414677 |
1 |
O2N4C19H20 |
A2B4C19D20 |
60.66 |
5.6 |
-8.89 |
-1.11 |
0 |
|
|
71358 |
48414680 |
1 |
ClOSN3C19H20 |
ABCD3E19F20 |
63.68 |
3.64 |
-8.92 |
-0.92 |
0 |
|
|
71359 |
48414681 |
1 |
ON2C15H22 |
AB2C15D22 |
11.92 |
2.81 |
-8.85 |
0.95 |
0 |
|
|
71360 |
48414682 |
1 |
OSN2C15H20 |
ABC2D15E20 |
18.74 |
3.48 |
-8.76 |
-0.27 |
0 |
|
|
71361 |
48414683 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-9.02 |
6.65 |
-8.8 |
-0.94 |
0 |
|
|
71362 |
48414684 |
1 |
ClN2O3C18H21 |
AB2C3D18E21 |
-48.9 |
4.01 |
-8.88 |
-0.55 |
0 |
|
|
71363 |
48414687 |
1 |
O2N3C13H17 |
A2B3C13D17 |
29.61 |
2.62 |
-9.02 |
-0.65 |
0 |
|
|
71364 |
48414688 |
1 |
FOCl2N2C15H15 |
ABC2D2E15F15 |
-21.97 |
3.06 |
-9.32 |
-1.17 |
0 |
|
|
71365 |
48414689 |
1 |
OSN3C19H21 |
ABC3D19E21 |
61.42 |
3.09 |
-8.86 |
-1.14 |
0 |
|
|
71366 |
48414691 |
1 |
OSN3C18H19 |
ABC3D18E19 |
75.26 |
4.22 |
-8.8 |
-1.11 |
0 |
|
|
71367 |
48414692 |
1 |
SN2O3C17H22 |
AB2C3D17E22 |
-55.52 |
5.72 |
-8.57 |
-0.21 |
0 |
|
|
71368 |
48414695 |
1 |
ClOSN3C19H20 |
ABCD3E19F20 |
52.69 |
3.39 |
-8.92 |
-1.47 |
0 |
|
|
71369 |
48414705 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-78.16 |
5.51 |
-8.78 |
-0.21 |
0 |
|
|
71370 |
48414706 |
1 |
O2F3N4C21H21 |
A2B3C4D21E21 |
-112.76 |
8.6 |
-8.62 |
-1.4 |
0 |
|
|
71371 |
48414707 |
1 |
ON2C17H22 |
AB2C17D22 |
20.29 |
3.07 |
-8.83 |
0.44 |
0 |
|
|
71372 |
48414711 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-80.91 |
0.49 |
-8.6 |
-0.37 |
0 |
|
|
71373 |
48414714 |
1 |
Cl2O2N3C17H19 |
A2B2C3D17E19 |
-24.43 |
1.27 |
-9.04 |
-0.99 |
0 |
|
|
71374 |
48414715 |
1 |
ClO2N3C17H20 |
AB2C3D17E20 |
-16.99 |
3.5 |
-8.84 |
-0.81 |
0 |
|
|
71375 |
48414716 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-26.83 |
0.96 |
-8.97 |
-0.18 |
0 |
|
|
71376 |
48414722 |
2 |
NOC11H13 |
ABC11D13 |
0.62 |
2.79 |
-8.57 |
-0.64 |
0 |
|
|
71377 |
48414733 |
1 |
OCl2N2C13H18 |
AB2C2D13E18 |
4.11 |
2.65 |
-8.93 |
0.01 |
0 |
|
|
71378 |
48414736 |
1 |
ClFN2O2C16H18 |
ABC2D2E16F18 |
-55.03 |
1.86 |
-8.98 |
-0.78 |
0 |
|
|
71379 |
48414738 |
1 |
OSN2C15H20 |
ABC2D15E20 |
33.76 |
2.59 |
-8.82 |
-0.24 |
0 |
|
|
71380 |
48414742 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-41.52 |
4.25 |
-8.77 |
-0.28 |
0 |
|
|
71381 |
48414743 |
1 |
S2N3O3C15H21 |
A2B3C3D15E21 |
-34.27 |
4.36 |
-8.76 |
-1.23 |
0 |
|
|
71382 |
48414745 |
1 |
ON4C18H20 |
AB4C18D20 |
84.5 |
2.68 |
-8.94 |
-0.9 |
0 |
|
|
71383 |
48414746 |
1 |
N3O3C20H23 |
A3B3C20D23 |
-46.61 |
7.57 |
-8.67 |
-1.55 |
0 |
|
|
71384 |
48414749 |
1 |
SO2N3C20H21 |
AB2C3D20E21 |
25.29 |
6.63 |
-8.79 |
-1.15 |
0 |
|
|
71385 |
48414751 |
1 |
ClN2O2C18H19 |
AB2C2D18E19 |
4.93 |
2.42 |
-8.91 |
-0.98 |
0 |
|
|
71386 |
48414752 |
1 |
ON2C21H30 |
AB2C21D30 |
2.09 |
2.63 |
-8.85 |
0.65 |
0 |
|
|
71387 |
48414753 |
1 |
FN2O2C22H23 |
AB2C2D22E23 |
-25.21 |
4.61 |
-8.85 |
-0.34 |
0 |
|
|
71388 |
48414754 |
1 |
ON5C21H29 |
AB5C21D29 |
49.14 |
3.84 |
-8.93 |
-0.67 |
0 |
|
|
71389 |
48414768 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-92.26 |
5.53 |
-8.86 |
-0.07 |
0 |
|
|
71390 |
48414769 |
1 |
OF2N2C15H16 |
AB2C2D15E16 |
-56.42 |
3.5 |
-9.07 |
-0.9 |
0 |
|
|
71391 |
48414772 |
1 |
N3O3C22H31 |
A3B3C22D31 |
-87.13 |
2.65 |
-8.78 |
-0.13 |
0 |
|
|
71392 |
48414773 |
2 |
NOC10H11 |
ABC10D11 |
15.69 |
2.8 |
-8.77 |
-0.66 |
0 |
|
|
71393 |
48414775 |
1 |
O2N4C25H26 |
A2B4C25D26 |
67.58 |
3.71 |
-8.52 |
-0.73 |
0 |
|
|
71394 |
48414782 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-23.03 |
6.24 |
-8.9 |
0.03 |
0 |
|
|
71395 |
48414786 |
1 |
ON5C17H19 |
AB5C17D19 |
106.47 |
4.42 |
-8.89 |
-0.98 |
0 |
|
|
71396 |
48414787 |
1 |
SN3O3C18H25 |
AB3C3D18E25 |
-53.68 |
4.05 |
-8.64 |
-0.1 |
0 |
|
|
71397 |
48414788 |
1 |
ON5C15H17 |
AB5C15D17 |
96.69 |
3.44 |
-8.96 |
-1.2 |
0 |
|
|
71398 |
48414789 |
1 |
SO3N4C20H26 |
AB3C4D20E26 |
-27.2 |
5.41 |
-9.03 |
-1.15 |
0 |
|
|
71399 |
48414790 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-88.13 |
2.68 |
-8.83 |
-0.04 |
0 |
|
|
71400 |
48414794 |
1 |
ON5C24H27 |
AB5C24D27 |
93.21 |
3.45 |
-8.94 |
-0.92 |
0 |
|
|
71401 |
48414796 |
1 |
ON5C20H25 |
AB5C20D25 |
76.25 |
4.26 |
-8.78 |
-0.52 |
0 |
|
|
71402 |
48414797 |
1 |
ON4C21H24 |
AB4C21D24 |
99.8 |
2.79 |
-9.01 |
-0.52 |
0 |
|
|
71403 |
48414798 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-21.08 |
6.81 |
-9.03 |
-0.92 |
0 |
|
|
71404 |
48414799 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-50.28 |
1.53 |
-8.74 |
-0.44 |
0 |
|
|
71405 |
48414800 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-18.77 |
1.63 |
-8.92 |
-0.32 |
0 |
|
|
71406 |
48414801 |
1 |
SO2N3C17H23 |
AB2C3D17E23 |
-15.21 |
5.26 |
-8.63 |
-0.98 |
0 |
|
|
71407 |
48414802 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-60.69 |
4.17 |
-8.86 |
-0.35 |
0 |
|
|
71408 |
48414806 |
1 |
N2O3C18H18 |
A2B3C18D18 |
-26.24 |
6.06 |
-8.81 |
-1.52 |
0 |
|
|
71409 |
48414807 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-51.39 |
5.66 |
-8.67 |
-0.14 |
0 |
|
|
71410 |
48414809 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-17.1 |
6.49 |
-8.65 |
-0.81 |
0 |
|
|
71411 |
48414811 |
1 |
FN2O3C20H21 |
AB2C3D20E21 |
-48.56 |
2.47 |
-9.15 |
-0.58 |
0 |
|
|
71412 |
48414813 |
1 |
ON2C17H22 |
AB2C17D22 |
17.14 |
4.33 |
-8.78 |
0.02 |
0 |
|
|
71413 |
48414815 |
1 |
N3O3C16H19 |
A3B3C16D19 |
22.24 |
4.55 |
-9.14 |
-1.47 |
0 |
|
|
71414 |
48414821 |
1 |
O2N3C25H25 |
A2B3C25D25 |
49.47 |
4.96 |
-8.77 |
-0.98 |
0 |
|
|
71415 |
48414827 |
1 |
O2N3C18H19 |
A2B3C18D19 |
4.84 |
4.33 |
-9.1 |
-1.2 |
0 |
|
|
71416 |
48414830 |
1 |
FOSN4C21H21 |
ABCD4E21F21 |
56.46 |
3.67 |
-8.69 |
-0.95 |
0 |
|
|
71417 |
48414831 |
1 |
SN3O3C22H25 |
AB3C3D22E25 |
-10.76 |
6.35 |
-8.87 |
-1.0 |
0 |
|
|
71418 |
48414832 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-10.19 |
2.23 |
-8.93 |
0.1 |
0 |
|
|
71419 |
48414833 |
1 |
ON2C17H28 |
AB2C17D28 |
-24.58 |
3.36 |
-8.83 |
1.0 |
0 |
|
|
71420 |
48414834 |
1 |
OSN4C22H22 |
ABC4D22E22 |
115.92 |
4.36 |
-8.86 |
-0.83 |
0 |
|
|
71421 |
48414835 |
1 |
OSN3C19H23 |
ABC3D19E23 |
41.71 |
3.34 |
-8.82 |
-0.78 |
0 |
|
|
71422 |
48414836 |
1 |
ClO2N3C19H24 |
AB2C3D19E24 |
-27.45 |
5.06 |
-8.97 |
-0.64 |
0 |
|
|
71423 |
48414837 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-84.07 |
1.63 |
-8.92 |
0.14 |
0 |
|
|
71424 |
48414839 |
1 |
ON2C17H22 |
AB2C17D22 |
16.01 |
3.43 |
-8.8 |
-0.05 |
0 |
|
|
71425 |
48414840 |
1 |
ON2C17H22 |
AB2C17D22 |
15.69 |
4.0 |
-8.8 |
-0.04 |
0 |
|
|
71426 |
48414841 |
1 |
ON2C21H22 |
AB2C21D22 |
62.47 |
4.01 |
-8.88 |
-0.3 |
0 |
|
|
71427 |
48414843 |
1 |
ClON2C16H19 |
ABC2D16E19 |
19.69 |
2.66 |
-9.07 |
-0.33 |
0 |
|
|
71428 |
48414844 |
1 |
ClN2O2C16H19 |
AB2C2D16E19 |
-6.0 |
2.76 |
-9.18 |
-0.47 |
0 |
|
|
71429 |
48414845 |
1 |
ON2C16H26 |
AB2C16D26 |
-18.68 |
3.11 |
-8.83 |
0.96 |
0 |
|
|
71430 |
48414846 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-12.69 |
5.06 |
-8.76 |
-0.08 |
0 |
|
|
71431 |
48414848 |
2 |
NO2C9H12 |
AB2C9D12 |
-74.95 |
2.97 |
-8.93 |
-0.09 |
0 |
|
|
71432 |
48414850 |
1 |
N3O3C16H19 |
A3B3C16D19 |
22.26 |
5.04 |
-9.09 |
-1.56 |
0 |
|
|
71433 |
48414851 |
1 |
ON4C14H18 |
AB4C14D18 |
56.1 |
4.98 |
-9.05 |
-0.95 |
0 |
|
|
71434 |
48414855 |
1 |
ClN2O2C18H23 |
AB2C2D18E23 |
-24.6 |
2.28 |
-8.89 |
-0.25 |
0 |
|
|
71435 |
48414856 |
1 |
OCl2N2C16H18 |
AB2C2D16E18 |
8.41 |
1.97 |
-8.99 |
-0.57 |
0 |
|
|
71436 |
48414857 |
1 |
OF2N2C15H16 |
AB2C2D15E16 |
-58.81 |
3.5 |
-8.97 |
-0.78 |
0 |
|
|
71437 |
48414858 |
1 |
ON2C17H22 |
AB2C17D22 |
17.54 |
3.95 |
-8.8 |
-0.03 |
0 |
|
|
71438 |
48414859 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-57.15 |
3.9 |
-8.31 |
0.23 |
0 |
|
|
71439 |
48414860 |
1 |
N2O2C19H26 |
A2B2C19D26 |
-28.07 |
3.26 |
-8.78 |
0.23 |
0 |
|
|
71440 |
48414864 |
1 |
FN2O2C16H19 |
AB2C2D16E19 |
-52.81 |
1.8 |
-8.96 |
-0.21 |
0 |
|
|
71441 |
48414871 |
1 |
SN3O3C19H27 |
AB3C3D19E27 |
-53.77 |
6.93 |
-9.07 |
-0.92 |
0 |
|
|
71442 |
48414872 |
1 |
ON2C19H20 |
AB2C19D20 |
52.54 |
3.44 |
-8.85 |
-0.77 |
0 |
|
|
71443 |
48414875 |
1 |
O2N4C25H26 |
A2B4C25D26 |
68.32 |
3.19 |
-8.76 |
-0.79 |
0 |
|
|
71444 |
48414877 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-7.8 |
4.13 |
-9.12 |
-0.35 |
0 |
|
|
71445 |
48414880 |
1 |
BrN2O2C16H19 |
AB2C2D16E19 |
0.6 |
2.61 |
-8.99 |
-0.41 |
0 |
|
|
71446 |
48414881 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-46.43 |
4.02 |
-8.3 |
0.22 |
0 |
|
|
71447 |
48414882 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-37.2 |
5.46 |
-8.69 |
-0.2 |
0 |
|
|
71448 |
48414897 |
1 |
ON2C14H24 |
AB2C14D24 |
-15.87 |
3.49 |
-8.91 |
1.03 |
0 |
|
|
71449 |
48414898 |
1 |
O2N3C23H29 |
A2B3C23D29 |
-0.25 |
2.92 |
-8.91 |
-0.46 |
0 |
|
|
71450 |
48414899 |
1 |
O2N3C20H21 |
A2B3C20D21 |
37.53 |
3.24 |
-8.81 |
-0.71 |
0 |
|
|
71451 |
48414900 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-11.99 |
6.7 |
-8.92 |
-0.98 |
0 |