List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
21246 |
587769 |
1 |
ClO3N5C17H18 |
AB3C5D17E18 |
-53.76 |
5.12 |
-9.18 |
-0.97 |
0 |
|
|
21247 |
587770 |
1 |
O2Cl3N3H12C15 |
A2B3C3D12E15 |
-62.47 |
3.07 |
-9.66 |
-1.53 |
0 |
|
|
21248 |
587771 |
1 |
OPC13H19 |
ABC13D19 |
-74.92 |
5.06 |
-9.58 |
0.02 |
0 |
|
|
21249 |
587773 |
1 |
F2C19H28 |
A2B19C28 |
-126.51 |
3.54 |
-9.53 |
-0.17 |
0 |
|
|
21250 |
587774 |
1 |
F2C25H38 |
A2B25C38 |
-144.72 |
3.6 |
-9.51 |
-0.16 |
0 |
|
|
21251 |
587776 |
2 |
FC11H16 |
AB11C16 |
-131.91 |
3.52 |
-9.52 |
-0.16 |
0 |
|
|
21252 |
587780 |
2 |
FOC6H7 |
ABC6D7 |
-181.92 |
1.89 |
-9.79 |
-0.43 |
0 |
|
|
21253 |
587783 |
1 |
N3F6H7C14 |
A3B6C7D14 |
-219.5 |
3.04 |
-9.82 |
-1.86 |
0 |
|
|
21254 |
587791 |
2 |
NOC3H4 |
ABC3D4 |
-30.09 |
2.26 |
-8.99 |
-0.62 |
0 |
|
|
21255 |
587792 |
1 |
FO2H5C7 |
AB2C5D7 |
-91.13 |
2.28 |
-9.63 |
-1.13 |
0 |
|
|
21256 |
587794 |
1 |
ClO2N3H12C14 |
AB2C3D12E14 |
59.88 |
9.24 |
-8.82 |
-1.53 |
0 |
|
|
21257 |
587795 |
1 |
H8C11 |
A8B11 |
92.52 |
0.4 |
-8.92 |
-0.25 |
0 |
|
|
21258 |
587796 |
1 |
ClNO2C17H24 |
ABC2D17E24 |
-97.09 |
1.14 |
-8.7 |
-0.97 |
0 |
|
|
21259 |
587798 |
1 |
NOC13H13 |
ABC13D13 |
-5.07 |
2.98 |
-8.28 |
-0.45 |
0 |
|
|
21260 |
587800 |
1 |
ON8H16C18 |
AB8C16D18 |
201.91 |
1.34 |
-8.96 |
-1.39 |
0 |
|
|
21261 |
587801 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-109.29 |
7.0 |
-10.37 |
-0.6 |
0 |
|
|
21262 |
587802 |
1 |
NC11H23 |
AB11C23 |
-36.79 |
1.14 |
-8.26 |
2.93 |
0 |
|
|
21263 |
587803 |
1 |
FN3C6H8 |
AB3C6D8 |
4.16 |
6.36 |
-8.92 |
-0.69 |
0 |
|
|
21264 |
587804 |
2 |
O3C7H14 |
A3B7C14 |
-319.15 |
1.92 |
-10.46 |
0.86 |
0 |
|
|
21265 |
587808 |
1 |
ClON2H13C14 |
ABC2D13E14 |
-1.62 |
3.47 |
-8.83 |
-0.6 |
0 |
|
|
21266 |
587809 |
1 |
NCl2O2C17H23 |
AB2C2D17E23 |
-102.65 |
1.89 |
-8.76 |
-1.18 |
0 |
|
|
21267 |
587811 |
1 |
NOSCl2H7C12 |
ABCD2E7F12 |
15.28 |
4.13 |
-9.6 |
-1.3 |
0 |
|
|
21268 |
587815 |
1 |
ClNC8H10 |
ABC8D10 |
6.3 |
2.57 |
-8.34 |
0.14 |
0 |
|
|
21269 |
587818 |
1 |
ClN2O2H9C13 |
AB2C2D9E13 |
27.42 |
2.29 |
-9.57 |
-1.28 |
0 |
|
|
21270 |
587819 |
1 |
ClSO2N3H8C14 |
ABC2D3E8F14 |
39.66 |
4.99 |
-9.15 |
-1.47 |
0 |
|
|
21271 |
587820 |
1 |
Cl2O2N3H7C8 |
A2B2C3D7E8 |
-12.49 |
2.22 |
-9.74 |
-1.3 |
0 |
|
|
21272 |
587822 |
1 |
ClNO2C11H14 |
ABC2D11E14 |
-86.59 |
2.33 |
-9.65 |
-0.36 |
0 |
|
|
21273 |
587823 |
1 |
FCl2N2O2H7C13 |
AB2C2D2E7F13 |
-29.67 |
1.83 |
-9.78 |
-1.57 |
0 |
|
|
21274 |
587824 |
1 |
ClSN3O4H10C13 |
ABC3D4E10F13 |
-46.55 |
4.19 |
-9.79 |
-2.15 |
0 |
|
|
21275 |
587825 |
1 |
ClNOC8H10 |
ABCD8E10 |
-34.23 |
2.89 |
-8.62 |
-0.09 |
0 |
|
|
21276 |
587827 |
2 |
ClNC7H7 |
ABC7D7 |
11.37 |
4.37 |
-8.69 |
-0.05 |
0 |
|
|
21277 |
587828 |
1 |
NO2C17H25 |
AB2C17D25 |
-87.2 |
1.76 |
-8.64 |
-0.63 |
0 |
|
|
21278 |
587829 |
1 |
NF3O3C10H16 |
AB3C3D10E16 |
-305.52 |
6.02 |
-10.39 |
-0.26 |
0 |
|
|
21279 |
587830 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-92.5 |
4.28 |
-8.51 |
-0.3 |
0 |
|
|
21280 |
587831 |
1 |
O2C11H18 |
A2B11C18 |
-98.12 |
6.45 |
-9.1 |
0.14 |
0 |
|
|
21281 |
587835 |
1 |
NC15H31 |
AB15C31 |
-62.59 |
1.6 |
-8.89 |
3.16 |
0 |
|
|
21282 |
587837 |
1 |
O2N3C10H17 |
A2B3C10D17 |
-98.49 |
7.03 |
-10.38 |
-0.59 |
0 |
|
|
21283 |
587838 |
1 |
O2N3C11H19 |
A2B3C11D19 |
-103.48 |
6.98 |
-10.39 |
-0.6 |
0 |
|
|
21284 |
587839 |
1 |
O2N3C10H17 |
A2B3C10D17 |
-99.49 |
7.01 |
-10.37 |
-0.59 |
0 |
|
|
21285 |
587840 |
1 |
ClNC8H10 |
ABC8D10 |
6.19 |
4.31 |
-9.87 |
-0.41 |
0 |
|
|
21286 |
587844 |
1 |
FNO2C7H8 |
ABC2D7E8 |
-111.89 |
3.36 |
-9.03 |
-0.57 |
0 |
|
|
21287 |
587845 |
1 |
OF3C9H9 |
AB3C9D9 |
-192.65 |
2.62 |
-10.09 |
-0.68 |
0 |
|
|
21288 |
587849 |
1 |
NF3O4C7H8 |
AB3C4D7E8 |
-312.85 |
3.87 |
-10.72 |
-0.46 |
0 |
|
|
21289 |
587853 |
1 |
ON2C16H24 |
AB2C16D24 |
-49.74 |
5.13 |
-9.0 |
0.32 |
0 |
|
|
21290 |
587856 |
1 |
ClON2H17C20 |
ABC2D17E20 |
30.33 |
5.3 |
-8.47 |
-0.54 |
0 |
|
|
21291 |
587863 |
1 |
NC16H33 |
AB16C33 |
-64.66 |
1.52 |
-8.51 |
2.87 |
0 |
|
|
21292 |
587865 |
1 |
FSiN2C12H21 |
ABC2D12E21 |
-93.25 |
3.19 |
-9.05 |
0.28 |
0 |
|
|
21293 |
587866 |
1 |
SO3C8H10 |
AB3C8D10 |
-110.39 |
6.87 |
-9.8 |
-0.61 |
0 |
|
|
21294 |
587868 |
1 |
F2O2C13H16 |
A2B2C13D16 |
-186.92 |
1.78 |
-9.87 |
-0.53 |
0 |
|
|
21295 |
587872 |
1 |
ClN2O3C17H23 |
AB2C3D17E23 |
-138.18 |
5.2 |
-8.8 |
-0.27 |
0 |