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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
40253 |
8143815 |
1 |
BrON3C19H20 |
ABC3D19E20 |
39.64 |
4.4 |
-8.89 |
-0.36 |
1 |
|
|
40254 |
8143818 |
1 |
OSN5C22H24 |
ABC5D22E24 |
80.9 |
11.2 |
0.0 |
0.0 |
1 |
|
|
40255 |
8143820 |
1 |
SN4C13H17 |
AB4C13D17 |
91.8 |
13.11 |
0.0 |
0.0 |
1 |
|
|
40256 |
8143824 |
1 |
SN4C15H21 |
AB4C15D21 |
65.91 |
4.98 |
0.0 |
0.0 |
0 |
|
|
40257 |
8143825 |
1 |
SN4C15H20 |
AB4C15D20 |
73.45 |
8.23 |
-8.3 |
-1.15 |
1 |
|
|
40258 |
8143826 |
1 |
SN3C18H24 |
AB3C18D24 |
57.36 |
6.05 |
0.0 |
0.0 |
0 |
|
|
40259 |
8143829 |
1 |
OSN4C21H24 |
ABC4D21E24 |
54.41 |
4.39 |
-8.08 |
-0.51 |
1 |
|
|
40260 |
8143830 |
1 |
OSN4C15H21 |
ABC4D15E21 |
53.51 |
7.6 |
0.0 |
0.0 |
1 |
|
|
40261 |
8143832 |
1 |
ClOSN4C20H22 |
ABCD4E20F22 |
75.82 |
8.95 |
0.0 |
0.0 |
1 |
|
|
40262 |
8143834 |
1 |
OSN3C22H26 |
ABC3D22E26 |
11.33 |
9.18 |
0.0 |
0.0 |
0 |
|
|
40263 |
8143835 |
1 |
OSN3C22H25 |
ABC3D22E25 |
-4.87 |
4.36 |
-8.8 |
-0.96 |
1 |
|
|
40264 |
8143839 |
1 |
OSN4C16H23 |
ABC4D16E23 |
40.82 |
5.55 |
0.0 |
0.0 |
1 |
|
|
40265 |
8143841 |
1 |
SO2N4C22H27 |
AB2C4D22E27 |
30.56 |
5.75 |
0.0 |
0.0 |
0 |
|
|
40266 |
8143842 |
1 |
SO2N4C22H26 |
AB2C4D22E26 |
12.64 |
4.89 |
-8.02 |
-0.39 |
1 |
|
|
40267 |
8143843 |
1 |
OSN3C22H26 |
ABC3D22E26 |
12.8 |
9.47 |
0.0 |
0.0 |
0 |
|
|
40268 |
8143844 |
1 |
OSN3C22H25 |
ABC3D22E25 |
-4.88 |
4.22 |
-8.74 |
-0.99 |
1 |
|
|
40269 |
8143846 |
1 |
SN4C18H27 |
AB4C18D27 |
72.87 |
7.17 |
0.0 |
0.0 |
0 |
|
|
40270 |
8143849 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-123.66 |
6.78 |
-8.98 |
-1.25 |
1 |
|
|
40271 |
8143850 |
1 |
SO2N4C22H27 |
AB2C4D22E27 |
34.14 |
7.6 |
0.0 |
0.0 |
0 |
|
|
40272 |
8143851 |
1 |
SO2N4C22H26 |
AB2C4D22E26 |
14.86 |
4.59 |
-8.07 |
-0.5 |
1 |
|
|
40273 |
8143855 |
1 |
SN4C15H21 |
AB4C15D21 |
83.38 |
6.63 |
0.0 |
0.0 |
0 |
|
|
40274 |
8143856 |
1 |
SN4C15H20 |
AB4C15D20 |
62.11 |
4.37 |
-8.14 |
-0.41 |
1 |
|
|
40275 |
8143857 |
1 |
OSN3C14H18 |
ABC3D14E18 |
43.78 |
6.68 |
0.0 |
0.0 |
0 |
|
|
40276 |
8143860 |
1 |
SN4C14H18 |
AB4C14D18 |
77.42 |
8.3 |
-8.3 |
-1.17 |
1 |
|
|
40277 |
8143861 |
1 |
SO2N3C20H24 |
AB2C3D20E24 |
-13.9 |
8.99 |
0.0 |
0.0 |
0 |
|
|
40278 |
8143863 |
1 |
N2O3H18C19 |
A2B3C18D19 |
-23.29 |
7.03 |
-8.99 |
-0.51 |
0 |
|
|
40279 |
8143865 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-82.38 |
3.86 |
-9.42 |
-1.1 |
0 |
|
|
40280 |
8143867 |
1 |
ClOSN4C20H21 |
ABCD4E20F21 |
55.75 |
4.22 |
-8.34 |
-0.45 |
1 |
|
|
40281 |
8143868 |
1 |
SO2N3C20H24 |
AB2C3D20E24 |
-12.59 |
15.23 |
0.0 |
0.0 |
0 |
|
|
40282 |
8143869 |
1 |
SO2N3C20H23 |
AB2C3D20E23 |
-33.4 |
4.67 |
-8.51 |
-0.99 |
1 |
|
|
40283 |
8143870 |
1 |
ClOSN4C20H22 |
ABCD4E20F22 |
70.67 |
6.33 |
0.0 |
0.0 |
0 |
|
|
40284 |
8143871 |
1 |
ClOSN4C20H21 |
ABCD4E20F21 |
52.71 |
5.28 |
-8.34 |
-0.73 |
0 |
|
|
40285 |
8143873 |
1 |
SF2N4H18C19 |
AB2C4D18E19 |
7.84 |
3.88 |
-8.39 |
-0.87 |
1 |
|
|
40286 |
8143874 |
1 |
SO2N4C18H19 |
AB2C4D18E19 |
62.0 |
3.05 |
0.0 |
0.0 |
0 |
|
|
40287 |
8143875 |
1 |
SO2N4C18H18 |
AB2C4D18E18 |
66.52 |
3.02 |
-8.61 |
-1.54 |
1 |
|
|
40288 |
8143876 |
1 |
OSN5C22H24 |
ABC5D22E24 |
78.21 |
10.28 |
0.0 |
0.0 |
1 |
|
|
40289 |
8143878 |
1 |
NO2C16H20 |
AB2C16D20 |
-36.16 |
8.36 |
0.0 |
0.0 |
1 |
|
|
40290 |
8143882 |
1 |
FSN4C20H22 |
ABC4D20E22 |
66.02 |
5.54 |
0.0 |
0.0 |
0 |
|
|
40291 |
8143883 |
1 |
FSN4C20H21 |
ABC4D20E21 |
48.25 |
4.41 |
-8.3 |
-0.45 |
0 |
|
|
40292 |
8143885 |
1 |
SN4C15H20 |
AB4C15D20 |
58.25 |
3.84 |
-8.14 |
-0.2 |
1 |
|
|
40293 |
8143886 |
1 |
SCl2N4C17H23 |
AB2C4D17E23 |
53.43 |
3.69 |
0.0 |
0.0 |
1 |
|
|
40294 |
8143888 |
1 |
NO3C17H22 |
AB3C17D22 |
-106.62 |
9.65 |
0.0 |
0.0 |
0 |
|
|
40295 |
8143891 |
1 |
F2O2N3H15C19 |
A2B2C3D15E19 |
-74.92 |
7.94 |
-9.13 |
-1.05 |
1 |
|
|
40296 |
8143892 |
1 |
O2S2N4C19H29 |
A2B2C4D19E29 |
-38.01 |
5.54 |
0.0 |
0.0 |
0 |
|
|
40297 |
8143893 |
1 |
O2S2N4C19H28 |
A2B2C4D19E28 |
-57.11 |
3.2 |
-8.35 |
-0.85 |
0 |
|
|
40298 |
8143894 |
1 |
NOCl2H17C22 |
ABC2D17E22 |
30.62 |
6.45 |
-8.96 |
-0.5 |
0 |
|
|
40299 |
8143896 |
1 |
F2O2N3H15C19 |
A2B2C3D15E19 |
-76.77 |
8.68 |
-9.07 |
-0.99 |
1 |
|
|
40300 |
8143897 |
1 |
OSN3C15H20 |
ABC3D15E20 |
38.03 |
7.49 |
0.0 |
0.0 |
1 |
|
|
40301 |
8143900 |
1 |
SN4C20H23 |
AB4C20D23 |
110.55 |
4.89 |
0.0 |
0.0 |
0 |
|
|
40302 |
8143901 |
1 |
SN4C20H22 |
AB4C20D22 |
92.66 |
3.44 |
-8.18 |
-0.55 |
0 |
|
|
40303 |
8143902 |
1 |
BrNOC16H22 |
ABCD16E22 |
-33.85 |
5.28 |
-8.89 |
-0.26 |
1 |
|
|
40304 |
8143903 |
1 |
OSN3C14H18 |
ABC3D14E18 |
44.48 |
6.7 |
0.0 |
0.0 |
0 |
|
|
40305 |
8143904 |
1 |
OSN3C14H17 |
ABC3D14E17 |
26.92 |
5.21 |
-8.63 |
-0.74 |
0 |
|
|
40306 |
8143905 |
1 |
FON2S2H11C18 |
ABC2D2E11F18 |
12.86 |
3.91 |
-8.49 |
-1.25 |
1 |
|
|
40307 |
8143906 |
1 |
SN3O3C15H20 |
AB3C3D15E20 |
-28.57 |
4.85 |
0.0 |
0.0 |
0 |
|
|
40308 |
8143907 |
1 |
SN3O3C15H19 |
AB3C3D15E19 |
-45.9 |
6.18 |
-8.67 |
-0.9 |
0 |
|
|
40309 |
8143908 |
1 |
BrNOC16H22 |
ABCD16E22 |
-34.57 |
4.61 |
-8.9 |
-0.27 |
1 |
|
|
40310 |
8143909 |
1 |
OSN5C19H26 |
ABC5D19E26 |
41.15 |
10.36 |
0.0 |
0.0 |
0 |
|
|
40311 |
8143910 |
1 |
OSN5C19H25 |
ABC5D19E25 |
20.7 |
2.63 |
-8.46 |
-1.06 |
1 |
|
|
40312 |
8143912 |
1 |
SN4C14H19 |
AB4C14D19 |
87.98 |
4.57 |
0.0 |
0.0 |
0 |
|
|
40313 |
8143913 |
1 |
SN4C14H18 |
AB4C14D18 |
70.0 |
2.85 |
-8.25 |
-0.28 |
0 |
|
|
40314 |
8143917 |
1 |
N2O4C15H16 |
A2B4C15D16 |
-106.53 |
6.76 |
-8.72 |
-1.21 |
0 |
|
|
40315 |
8143918 |
1 |
BrNOC16H22 |
ABCD16E22 |
-34.95 |
5.25 |
-8.91 |
-0.27 |
0 |
|
|
40316 |
8143920 |
2 |
ON2C6H7 |
AB2C6D7 |
54.13 |
5.83 |
-9.27 |
-1.39 |
2 |
|
|
40317 |
8143921 |
2 |
ON2C12H16 |
AB2C12D16 |
38.14 |
5.11 |
-6.53 |
-0.03 |
0 |
|
|
40318 |
8143923 |
1 |
ClO2N3H12C19 |
AB2C3D12E19 |
89.96 |
3.81 |
-8.78 |
-1.71 |
0 |
|
|
40319 |
8143926 |
2 |
ON2C12H15 |
AB2C12D15 |
-33.16 |
2.33 |
-8.79 |
0.08 |
0 |
|
|
40320 |
8143928 |
1 |
O2N5C23H27 |
A2B5C23D27 |
74.42 |
7.63 |
-9.22 |
-0.57 |
0 |
|
|
40321 |
8143929 |
1 |
N4O6H8C11 |
A4B6C8D11 |
-141.69 |
0.32 |
-10.14 |
-2.38 |
2 |
|
|
40322 |
8143930 |
1 |
O2N3C26H33 |
A2B3C26D33 |
24.54 |
4.98 |
-7.28 |
-0.03 |
0 |
|
|
40323 |
8143934 |
1 |
N2O5H14C19 |
A2B5C14D19 |
-82.77 |
3.4 |
-9.03 |
-1.06 |
0 |
|
|
40324 |
8143935 |
1 |
ClO2N3H12C19 |
AB2C3D12E19 |
87.74 |
4.82 |
-8.82 |
-1.7 |
2 |
|
|
40325 |
8143936 |
1 |
O2N3C26H33 |
A2B3C26D33 |
34.23 |
4.61 |
-5.72 |
-0.04 |
0 |
|
|
40326 |
8143937 |
1 |
O2N3C26H31 |
A2B3C26D31 |
-43.11 |
2.28 |
-8.47 |
0.16 |
2 |
|
|
40327 |
8143938 |
1 |
O2N3C26H33 |
A2B3C26D33 |
-30.51 |
3.03 |
-9.04 |
0.11 |
0 |
|
|
40328 |
8143939 |
1 |
O2N3C26H31 |
A2B3C26D31 |
-43.15 |
2.31 |
-8.48 |
0.16 |
1 |
|
|
40329 |
8143940 |
1 |
SO2N5C18H24 |
AB2C5D18E24 |
15.04 |
1.95 |
0.0 |
0.0 |
1 |
|
|
40330 |
8143944 |
1 |
SN5C21H26 |
AB5C21D26 |
115.93 |
4.23 |
0.0 |
0.0 |
0 |
|
|
40331 |
8143948 |
1 |
BrN2O3H13C17 |
AB2C3D13E17 |
-1.31 |
3.39 |
-8.96 |
-1.06 |
0 |
|
|
40332 |
8143950 |
1 |
ClSN5C20H22 |
ABC5D20E22 |
96.14 |
4.0 |
-8.33 |
-0.67 |
1 |
|
|
40333 |
8143951 |
1 |
SN5C21H26 |
AB5C21D26 |
115.16 |
4.84 |
0.0 |
0.0 |
1 |
|
|
40334 |
8143953 |
1 |
O2N4C17H23 |
A2B4C17D23 |
31.92 |
11.89 |
0.0 |
0.0 |
0 |
|
|
40335 |
8143954 |
1 |
O2N4C17H22 |
A2B4C17D22 |
18.54 |
8.41 |
-9.54 |
-1.37 |
1 |
|
|
40336 |
8143955 |
1 |
FSO2N4C21H24 |
ABC2D4E21F24 |
-0.85 |
5.42 |
0.0 |
0.0 |
0 |
|
|
40337 |
8143956 |
1 |
FSO2N4C21H23 |
ABC2D4E21F23 |
-17.41 |
4.93 |
-8.42 |
-0.64 |
1 |
|
|
40338 |
8143957 |
1 |
O2N4C17H23 |
A2B4C17D23 |
36.04 |
12.27 |
0.0 |
0.0 |
0 |
|
|
40339 |
8143958 |
1 |
O2N4C17H22 |
A2B4C17D22 |
15.08 |
8.3 |
-9.4 |
-1.38 |
1 |
|
|
40340 |
8143959 |
1 |
O2N3C20H24 |
A2B3C20D24 |
-9.47 |
9.62 |
0.0 |
0.0 |
1 |
|
|
40341 |
8143962 |
1 |
FSO2N4C21H24 |
ABC2D4E21F24 |
-2.77 |
4.33 |
0.0 |
0.0 |
0 |
|
|
40342 |
8143963 |
1 |
FSO2N4C21H23 |
ABC2D4E21F23 |
-15.82 |
2.98 |
-8.93 |
-0.54 |
1 |
|
|
40343 |
8143967 |
1 |
FSO2N4C21H24 |
ABC2D4E21F24 |
2.61 |
4.97 |
0.0 |
0.0 |
1 |
|
|
40344 |
8143969 |
1 |
O2N4C16H23 |
A2B4C16D23 |
-38.7 |
4.08 |
0.0 |
0.0 |
0 |
|
|
40345 |
8143970 |
2 |
ON2C8H11 |
AB2C8D11 |
-49.08 |
8.58 |
-9.04 |
-0.44 |
0 |
|
|
40346 |
8143971 |
1 |
ClSO4N5H10C16 |
ABC4D5E10F16 |
99.74 |
6.98 |
-9.58 |
-2.07 |
1 |
|
|
40347 |
8143972 |
1 |
FSO2N4C21H24 |
ABC2D4E21F24 |
4.0 |
4.28 |
0.0 |
0.0 |
0 |
|
|
40348 |
8143974 |
1 |
ON2C19H20 |
AB2C19D20 |
49.37 |
3.31 |
-8.13 |
-0.42 |
1 |
|
|
40349 |
8143975 |
1 |
SO2N4C18H27 |
AB2C4D18E27 |
-63.73 |
4.02 |
0.0 |
0.0 |
0 |
|
|
40350 |
8143976 |
1 |
SO2N4C18H26 |
AB2C4D18E26 |
-75.98 |
5.01 |
-8.59 |
-0.78 |
1 |
|
|
40351 |
8143978 |
1 |
O3N4C22H29 |
A3B4C22D29 |
-68.6 |
11.17 |
0.0 |
0.0 |
0 |
|
|
40352 |
8143979 |
1 |
O3N4C22H28 |
A3B4C22D28 |
-79.55 |
2.98 |
-8.34 |
-1.14 |
1 |