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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
58231 |
24434811 |
1 |
SN3O5C21H25 |
AB3C5D21E25 |
-107.77 |
8.25 |
-8.07 |
-0.76 |
0 |
|
|
58232 |
24434812 |
1 |
SO3N4H24C25 |
AB3C4D24E25 |
8.16 |
12.66 |
-8.48 |
-0.9 |
0 |
|
|
58233 |
24434813 |
1 |
ClSN3O4H20C21 |
ABC3D4E20F21 |
-56.38 |
8.58 |
-8.99 |
-1.21 |
0 |
|
|
58234 |
24434823 |
1 |
SCl2O3N5H9C15 |
AB2C3D5E9F15 |
93.38 |
11.32 |
-9.45 |
-2.19 |
0 |
|
|
58235 |
24434835 |
1 |
SCl3N6C17H17 |
AB3C6D17E17 |
110.48 |
7.04 |
-8.43 |
-1.3 |
0 |
|
|
58236 |
24434838 |
1 |
SCl2F2N4H8C15 |
AB2C2D4E8F15 |
30.74 |
0.48 |
-8.95 |
-1.59 |
0 |
|
|
58237 |
24434840 |
2 |
ON2H13C14 |
AB2C13D14 |
42.54 |
3.36 |
-9.22 |
-1.02 |
0 |
|
|
58238 |
24434841 |
1 |
SO2N4H18C20 |
AB2C4D18E20 |
31.49 |
3.46 |
-8.87 |
-1.14 |
0 |
|
|
58239 |
24434845 |
2 |
N2O2H12C13 |
A2B2C12D13 |
-20.03 |
4.26 |
-8.27 |
-1.07 |
0 |
|
|
58240 |
24434850 |
1 |
O4N5H21C25 |
A4B5C21D25 |
38.86 |
5.12 |
-9.36 |
-1.26 |
0 |
|
|
58241 |
24434851 |
1 |
O3N5H19C25 |
A3B5C19D25 |
29.88 |
2.61 |
-8.91 |
-1.25 |
0 |
|
|
58242 |
24434853 |
2 |
N2O2H9C12 |
A2B2C9D12 |
-24.28 |
2.33 |
-9.33 |
-1.21 |
0 |
|
|
58243 |
24434854 |
1 |
O3N5H21C26 |
A3B5C21D26 |
22.32 |
2.64 |
-8.91 |
-1.3 |
0 |
|
|
58244 |
24434858 |
1 |
O3N4H22C26 |
A3B4C22D26 |
38.34 |
2.86 |
-8.48 |
-1.05 |
0 |
|
|
58245 |
24434860 |
1 |
ClO3N5H16C24 |
AB3C5D16E24 |
52.5 |
5.5 |
-8.72 |
-1.99 |
0 |
|
|
58246 |
24434861 |
1 |
F2O3N4H20C25 |
A2B3C4D20E25 |
-82.89 |
5.7 |
-9.0 |
-1.04 |
0 |
|
|
58247 |
24434863 |
1 |
O3N5H19C25 |
A3B5C19D25 |
55.36 |
8.11 |
-8.47 |
-1.72 |
0 |
|
|
58248 |
24434866 |
1 |
O3N5H21C26 |
A3B5C21D26 |
46.64 |
8.61 |
-8.29 |
-1.67 |
0 |
|
|
58249 |
24434867 |
1 |
N5O5H19C27 |
A5B5C19D27 |
52.87 |
7.53 |
-8.96 |
-1.53 |
0 |
|
|
58250 |
24434868 |
1 |
O3N5H21C26 |
A3B5C21D26 |
45.47 |
8.34 |
-8.46 |
-1.68 |
0 |
|
|
58251 |
24434869 |
4 |
NOC7H7 |
ABC7D7 |
-24.64 |
2.86 |
-8.15 |
-1.13 |
0 |
|
|
58252 |
24434870 |
1 |
N4O4H26C27 |
A4B4C26D27 |
-21.92 |
4.2 |
-8.28 |
-1.08 |
0 |
|
|
58253 |
24434872 |
1 |
O4N5C27H27 |
A4B5C27D27 |
-44.37 |
4.51 |
-8.78 |
-1.34 |
0 |
|
|
58254 |
24434873 |
1 |
N4O4H22C25 |
A4B4C22D25 |
-20.33 |
4.97 |
-8.39 |
-1.19 |
0 |
|
|
58255 |
24434875 |
1 |
O3N4H22C25 |
A3B4C22D25 |
8.5 |
4.57 |
-8.6 |
-1.31 |
0 |
|
|
58256 |
24434876 |
1 |
N3O3C17H19 |
A3B3C17D19 |
-26.17 |
6.6 |
-8.3 |
-1.1 |
0 |
|
|
58257 |
24434880 |
1 |
O2N3C18H21 |
A2B3C18D21 |
0.01 |
4.55 |
-8.36 |
-0.33 |
0 |
|
|
58258 |
24434881 |
1 |
ON3C19H21 |
AB3C19D21 |
28.87 |
1.76 |
-8.24 |
-0.37 |
0 |
|
|
58259 |
24434884 |
1 |
O2N3C15H17 |
A2B3C15D17 |
3.66 |
1.69 |
-8.3 |
-0.52 |
0 |
|
|
58260 |
24434888 |
1 |
O2N3C22H23 |
A2B3C22D23 |
9.94 |
3.61 |
-8.25 |
-0.56 |
0 |
|
|
58261 |
24434890 |
1 |
ON3C19H23 |
AB3C19D23 |
16.51 |
5.03 |
-8.24 |
-0.29 |
0 |
|
|
58262 |
24434891 |
1 |
N3O3C18H19 |
A3B3C18D19 |
-26.4 |
6.19 |
-8.55 |
-0.28 |
0 |
|
|
58263 |
24434892 |
1 |
ON3C21H25 |
AB3C21D25 |
25.54 |
5.55 |
-8.47 |
-0.09 |
0 |
|
|
58264 |
24434893 |
1 |
ON3C18H21 |
AB3C18D21 |
30.92 |
2.51 |
-8.29 |
-0.49 |
0 |
|
|
58265 |
24434894 |
1 |
FON3C18H20 |
ABC3D18E20 |
-14.38 |
7.35 |
-8.57 |
-0.25 |
0 |
|
|
58266 |
24434895 |
1 |
F2O2N3C18H19 |
A2B2C3D18E19 |
-115.23 |
5.65 |
-8.24 |
-0.52 |
0 |
|
|
58267 |
24434896 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-40.04 |
1.93 |
-8.27 |
-0.26 |
0 |
|
|
58268 |
24434897 |
1 |
ON3C19H25 |
AB3C19D25 |
32.03 |
1.99 |
-8.32 |
-0.45 |
0 |
|
|
58269 |
24434898 |
2 |
ON2C10H13 |
AB2C10D13 |
-7.56 |
6.43 |
-8.27 |
-0.69 |
0 |
|
|
58270 |
24434899 |
1 |
ON3C15H23 |
AB3C15D23 |
-2.09 |
4.85 |
-8.47 |
-0.14 |
0 |
|
|
58271 |
24434900 |
1 |
O2N3C19H19 |
A2B3C19D19 |
23.25 |
6.31 |
-8.54 |
-0.6 |
0 |
|
|
58272 |
24434904 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-38.54 |
5.21 |
-8.2 |
-0.35 |
0 |
|
|
58273 |
24434905 |
1 |
N3O4C25H25 |
A3B4C25D25 |
-56.56 |
3.82 |
-8.54 |
-0.71 |
0 |
|
|
58274 |
24434910 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-73.91 |
3.24 |
-8.35 |
-0.06 |
0 |
|
|
58275 |
24434911 |
1 |
O2N3C19H21 |
A2B3C19D21 |
21.09 |
6.43 |
-8.47 |
-0.39 |
0 |
|
|
58276 |
24434912 |
1 |
SO2N4C18H22 |
AB2C4D18E22 |
3.26 |
4.42 |
-8.15 |
-0.52 |
0 |
|
|
58277 |
24434913 |
1 |
ClO2N4H15C17 |
AB2C4D15E17 |
34.84 |
5.01 |
-8.68 |
-1.89 |
0 |
|
|
58278 |
24434914 |
1 |
ON6C24H28 |
AB6C24D28 |
84.89 |
9.17 |
-8.43 |
-0.36 |
0 |
|
|
58279 |
24434915 |
1 |
FO2N4H23C26 |
AB2C4D23E26 |
-2.2 |
4.98 |
-8.36 |
-0.71 |
0 |
|
|
58280 |
24434916 |
1 |
F2O2N3C18H19 |
A2B2C3D18E19 |
-113.81 |
3.43 |
-8.49 |
-0.2 |
0 |
|
|
58281 |
24434917 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-56.11 |
4.92 |
-8.36 |
-0.31 |
0 |
|
|
58282 |
24434918 |
1 |
SO3N4C24H26 |
AB3C4D24E26 |
-23.43 |
7.64 |
-8.37 |
-0.6 |
0 |
|
|
58283 |
24434919 |
1 |
FO2N4H15C17 |
AB2C4D15E17 |
-2.04 |
5.13 |
-8.67 |
-1.87 |
0 |
|
|
58284 |
24434920 |
1 |
ClN4O4C25H25 |
AB4C4D25E25 |
-56.48 |
7.56 |
-8.57 |
-0.6 |
0 |
|
|
58285 |
24434921 |
2 |
ON2C9H9 |
AB2C9D9 |
38.56 |
11.48 |
-8.35 |
-1.4 |
0 |
|
|
58286 |
24697465 |
1 |
N2O3C13H16 |
A2B3C13D16 |
-66.92 |
4.36 |
-9.23 |
-0.11 |
0 |
|
|
58287 |
24697486 |
2 |
NOC8H9 |
ABC8D9 |
-52.51 |
5.7 |
-8.45 |
-0.63 |
0 |
|
|
58288 |
24697487 |
1 |
OSN2C9H18 |
ABC2D9E18 |
-55.46 |
4.32 |
-8.46 |
0.05 |
0 |
|
|
58289 |
24697488 |
1 |
BrNSO2H10C13 |
ABCD2E10F13 |
17.52 |
4.62 |
-9.02 |
-0.74 |
0 |
|
|
58290 |
24697509 |
1 |
O2N3H15C16 |
A2B3C15D16 |
5.36 |
2.47 |
-8.34 |
-0.77 |
0 |
|
|
58291 |
24697526 |
1 |
FON2H9C15 |
ABC2D9E15 |
26.88 |
5.51 |
-9.56 |
-1.24 |
0 |
|
|
58292 |
24697529 |
1 |
ClON3H12C13 |
ABC3D12E13 |
26.38 |
0.74 |
-9.38 |
-0.73 |
0 |
|
|
58293 |
24697532 |
1 |
SN2C8H18 |
AB2C8D18 |
-13.38 |
5.54 |
-8.51 |
0.01 |
0 |
|
|
58294 |
24697557 |
1 |
NO3C16H17 |
AB3C16D17 |
-84.25 |
6.36 |
-9.11 |
-0.38 |
0 |
|
|
58295 |
24697567 |
1 |
ON2C16H16 |
AB2C16D16 |
3.51 |
3.82 |
-8.3 |
-0.29 |
0 |
|
|
58296 |
24697570 |
1 |
ON3C14H15 |
AB3C14D15 |
5.25 |
3.13 |
-8.38 |
-0.67 |
0 |
|
|
58297 |
24697576 |
1 |
SN3O3C13H19 |
AB3C3D13E19 |
-118.29 |
9.14 |
-9.37 |
-0.58 |
0 |
|
|
58298 |
24697581 |
1 |
SN2O2C11H14 |
AB2C2D11E14 |
-43.85 |
5.06 |
-8.61 |
-0.9 |
0 |
|
|
58299 |
24697599 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-106.64 |
5.1 |
-8.56 |
-0.84 |
0 |
|
|
58300 |
24697600 |
1 |
NSO2F3C10H10 |
ABC2D3E10F10 |
-227.0 |
5.55 |
-9.88 |
-1.27 |
0 |
|
|
58301 |
24697636 |
2 |
NOH6C7 |
ABC6D7 |
16.17 |
4.35 |
-9.01 |
-0.93 |
0 |
|
|
58302 |
24697640 |
1 |
FO2N3H14C15 |
AB2C3D14E15 |
-46.24 |
2.48 |
-8.98 |
-0.4 |
0 |
|
|
58303 |
24697644 |
1 |
N2O2S2C13H18 |
A2B2C2D13E18 |
-59.99 |
1.96 |
-8.88 |
-0.9 |
0 |
|
|
58304 |
24697646 |
1 |
ON2C17H20 |
AB2C17D20 |
-25.14 |
1.82 |
-8.21 |
0.04 |
0 |
|
|
58305 |
24697648 |
1 |
N2O3C15H16 |
A2B3C15D16 |
-72.25 |
5.76 |
-7.93 |
-0.49 |
0 |
|
|
58306 |
24697653 |
1 |
ON2C14H20 |
AB2C14D20 |
-27.52 |
4.92 |
-8.78 |
0.22 |
0 |
|
|
58307 |
24697655 |
1 |
OSN2C12H16 |
ABC2D12E16 |
-32.58 |
2.61 |
-8.67 |
-0.02 |
0 |
|
|
58308 |
24697662 |
1 |
OSN4C13H14 |
ABC4D13E14 |
23.45 |
3.47 |
-8.76 |
-0.81 |
0 |
|
|
58309 |
24697668 |
1 |
BrFON2H12C14 |
ABCD2E12F14 |
-43.86 |
5.04 |
-8.49 |
-0.98 |
0 |
|
|
58310 |
24697673 |
1 |
OF2N2C13H16 |
AB2C2D13E16 |
-121.24 |
2.97 |
-9.02 |
-0.93 |
0 |
|
|
58311 |
24697689 |
3 |
NC3H3 |
AB3C3 |
77.86 |
6.62 |
-8.99 |
-0.56 |
0 |
|
|
58312 |
24697694 |
1 |
FNO3H6C10 |
ABC3D6E10 |
-94.85 |
3.7 |
-9.69 |
-1.19 |
0 |
|
|
58313 |
24697757 |
1 |
N2O5H12C14 |
A2B5C12D14 |
-170.6 |
10.41 |
-9.48 |
-1.26 |
0 |
|
|
58314 |
24697762 |
1 |
NOC15H17 |
ABC15D17 |
41.58 |
2.35 |
-8.8 |
0.13 |
0 |
|
|
58315 |
24697766 |
1 |
N2O3C11H14 |
A2B3C11D14 |
-69.77 |
1.95 |
-8.98 |
-0.2 |
0 |
|
|
58316 |
24697767 |
1 |
OSN3C13H19 |
ABC3D13E19 |
-18.5 |
3.53 |
-8.62 |
-0.66 |
0 |
|
|
58317 |
24697778 |
1 |
FON3H14C16 |
ABC3D14E16 |
-11.11 |
4.99 |
-9.14 |
-0.51 |
0 |
|
|
58318 |
24697788 |
1 |
SO2C8H16 |
AB2C8D16 |
-119.53 |
6.24 |
-9.35 |
-0.22 |
0 |
|
|
58319 |
24697796 |
2 |
NOH7C8 |
ABC7D8 |
-9.0 |
4.97 |
-9.2 |
-0.71 |
0 |
|
|
58320 |
24697797 |
1 |
NF3C7H12 |
AB3C7D12 |
-177.37 |
3.97 |
-9.56 |
1.52 |
0 |
|
|
58321 |
24697798 |
2 |
NO2C6H7 |
AB2C6D7 |
-154.9 |
4.49 |
-10.15 |
-1.02 |
0 |
|
|
58322 |
24697804 |
1 |
BrSN2O3C12H13 |
ABC2D3E12F13 |
-79.91 |
3.17 |
-9.81 |
-1.13 |
0 |
|
|
58323 |
24697806 |
2 |
NOC9H10 |
ABC9D10 |
-52.02 |
3.6 |
-8.51 |
0.09 |
0 |
|
|
58324 |
24697807 |
1 |
ON3C13H19 |
AB3C13D19 |
-12.97 |
3.91 |
-9.11 |
-0.17 |
0 |
|
|
58325 |
24697808 |
1 |
SN3O3C11H21 |
AB3C3D11E21 |
-141.41 |
3.71 |
-9.26 |
0.12 |
0 |
|
|
58326 |
24697809 |
1 |
BrFNOH13C15 |
ABCDE13F15 |
-52.36 |
3.31 |
-9.12 |
-0.58 |
0 |
|
|
58327 |
24697811 |
1 |
N2O2C11H16 |
A2B2C11D16 |
-47.26 |
4.44 |
-8.9 |
-0.06 |
0 |
|
|
58328 |
24697812 |
1 |
ON4C12H12 |
AB4C12D12 |
19.91 |
4.87 |
-8.47 |
-0.72 |
0 |
|
|
58329 |
24697815 |
1 |
ON2F3C12H15 |
AB2C3D12E15 |
-189.49 |
4.42 |
-8.61 |
-0.28 |
0 |
|
|
58330 |
24697817 |
1 |
F2N2O2H14C15 |
A2B2C2D14E15 |
-153.05 |
2.61 |
-8.26 |
-0.56 |
0 |