List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
48881 |
11528433 |
1 |
NO2C6H11 |
AB2C6D11 |
-77.52 |
2.6 |
-9.07 |
1.95 |
0 |
|
|
48882 |
11528434 |
1 |
ON3C9H9 |
AB3C9D9 |
23.41 |
4.03 |
-8.96 |
-0.52 |
0 |
|
|
48883 |
11528435 |
1 |
N3C10H13 |
A3B10C13 |
52.39 |
2.06 |
-9.32 |
-0.9 |
0 |
|
|
48884 |
11528436 |
1 |
O2C11H12 |
A2B11C12 |
-22.86 |
2.7 |
-8.83 |
0.22 |
0 |
|
|
48885 |
11528437 |
1 |
O2C11H12 |
A2B11C12 |
-27.46 |
1.68 |
-9.45 |
-0.55 |
0 |
|
|
48886 |
11528438 |
1 |
OSSiC7H16 |
ABCD7E16 |
-75.64 |
4.66 |
-7.79 |
1.15 |
0 |
|
|
48887 |
11528439 |
1 |
NO2C10H11 |
AB2C10D11 |
-65.01 |
6.39 |
-9.92 |
-0.3 |
0 |
|
|
48888 |
11528440 |
1 |
NSO2C7H15 |
ABC2D7E15 |
-103.85 |
1.87 |
-9.19 |
0.26 |
0 |
|
|
48889 |
11528441 |
1 |
NC12H19 |
AB12C19 |
-10.85 |
1.8 |
-8.34 |
0.52 |
0 |
|
|
48890 |
11528442 |
1 |
BrClC5H6 |
ABC5D6 |
34.23 |
1.9 |
-10.1 |
0.11 |
0 |
|
|
48891 |
11528443 |
1 |
FON2H7C9 |
ABC2D7E9 |
-48.94 |
7.69 |
-9.08 |
-0.73 |
0 |
|
|
48892 |
11528444 |
1 |
O3C10H10 |
A3B10C10 |
-81.44 |
2.27 |
-10.19 |
-0.43 |
0 |
|
|
48893 |
11528445 |
1 |
O2C11H14 |
A2B11C14 |
90.27 |
4.58 |
-8.77 |
-0.05 |
0 |
|
|
48894 |
11528446 |
1 |
OC12H18 |
AB12C18 |
-55.43 |
2.39 |
-9.01 |
0.39 |
0 |
|
|
48895 |
11528447 |
1 |
N2C11H18 |
A2B11C18 |
4.68 |
2.79 |
-9.18 |
0.22 |
0 |
|
|
48896 |
11528448 |
1 |
ClSN2O2H3C4 |
ABC2D2E3F4 |
-30.4 |
7.37 |
-11.15 |
-1.83 |
0 |
|
|
48898 |
11528450 |
1 |
ClN3H6C8 |
AB3C6D8 |
60.54 |
2.0 |
-9.35 |
-1.08 |
0 |
|
|
48899 |
11528451 |
1 |
OF2H6C10 |
AB2C6D10 |
-78.72 |
1.25 |
-9.04 |
-0.86 |
0 |
|
|
48900 |
11528453 |
1 |
OC12H20 |
AB12C20 |
-73.67 |
3.46 |
-9.51 |
0.85 |
0 |
|
|
48901 |
11528454 |
1 |
OSiC10H16 |
ABC10D16 |
-88.58 |
1.03 |
-9.15 |
0.32 |
0 |
|
|
48902 |
11528455 |
1 |
FN3C9H12 |
AB3C9D12 |
-17.08 |
1.04 |
-9.33 |
-0.21 |
0 |
|
|
48903 |
11528456 |
1 |
ClNO3C6H12 |
ABC3D6E12 |
-175.5 |
5.5 |
-9.56 |
0.68 |
0 |
|
|
48904 |
11528457 |
1 |
ClNOH8C9 |
ABCD8E9 |
-16.56 |
5.19 |
-8.75 |
-0.17 |
0 |
|
|
48905 |
11528458 |
1 |
FO2C10H11 |
AB2C10D11 |
-116.29 |
1.97 |
-9.74 |
-0.06 |
0 |
|
|
48906 |
11528459 |
1 |
O3C10H14 |
A3B10C14 |
-122.65 |
5.29 |
-9.27 |
0.1 |
0 |
|
|
48907 |
11528461 |
1 |
SN2C9H14 |
AB2C9D14 |
3.69 |
1.26 |
-8.55 |
-0.11 |
0 |
|
|
48908 |
11528463 |
1 |
NO2C10H17 |
AB2C10D17 |
-100.54 |
7.06 |
-9.04 |
1.07 |
0 |
|
|
48910 |
11528465 |
1 |
NOC9H9 |
ABC9D9 |
-11.56 |
3.95 |
-9.8 |
-0.72 |
0 |
|
|
48911 |
11528466 |
1 |
PO2C9H13 |
AB2C9D13 |
-100.94 |
1.12 |
-9.43 |
0.26 |
0 |
|
|
48912 |
11528468 |
1 |
O3C10H16 |
A3B10C16 |
-158.54 |
4.11 |
-10.29 |
0.36 |
0 |
|
|
48913 |
11528469 |
1 |
O2C11H20 |
A2B11C20 |
-81.7 |
1.05 |
-9.39 |
1.21 |
0 |
|
|
48914 |
11528470 |
1 |
NO2C10H19 |
AB2C10D19 |
-98.28 |
2.98 |
-10.02 |
0.64 |
0 |
|
|
48915 |
11528472 |
1 |
ON2H10C11 |
AB2C10D11 |
19.75 |
2.43 |
-9.75 |
-0.86 |
0 |
|
|
48916 |
11528473 |
2 |
N2C5H5 |
A2B5C5 |
105.07 |
4.76 |
-8.65 |
-0.2 |
0 |
|
|
48917 |
11528474 |
2 |
NC6H7 |
AB6C7 |
43.68 |
4.77 |
-9.63 |
0.05 |
0 |
|
|
48918 |
11528477 |
1 |
N3C11H13 |
A3B11C13 |
68.58 |
3.67 |
-9.39 |
-0.97 |
0 |
|
|
48919 |
11528478 |
1 |
NO2C10H21 |
AB2C10D21 |
-131.72 |
2.23 |
-9.72 |
0.55 |
0 |
|
|
48920 |
11528479 |
1 |
NC13H17 |
AB13C17 |
21.85 |
0.86 |
-8.05 |
0.38 |
0 |
|
|
48921 |
11528480 |
2 |
NOH4C5 |
ABC4D5 |
-12.33 |
5.67 |
-9.44 |
-1.16 |
0 |
|
|
48922 |
11528481 |
1 |
O4C9H16 |
A4B9C16 |
-181.74 |
1.22 |
-10.28 |
0.87 |
0 |
|
|
48923 |
11528482 |
1 |
O3C10H20 |
A3B10C20 |
-144.1 |
4.08 |
-10.13 |
0.62 |
0 |
|
|
48924 |
11528483 |
1 |
ON5H7C8 |
AB5C7D8 |
47.9 |
7.43 |
-8.95 |
-0.6 |
0 |
|
|
48925 |
11528484 |
1 |
NPO2C8H16 |
ABC2D8E16 |
-136.17 |
2.99 |
-9.68 |
0.49 |
0 |
|
|
48926 |
11528485 |
1 |
ON3C10H11 |
AB3C10D11 |
26.57 |
5.2 |
-9.46 |
-0.5 |
0 |
|
|
48927 |
11528486 |
1 |
NOC12H15 |
ABC12D15 |
22.86 |
0.8 |
-9.11 |
0.06 |
0 |
|
|
48928 |
11528487 |
1 |
N3C11H15 |
A3B11C15 |
47.66 |
3.3 |
-8.42 |
0.07 |
0 |
|
|
48929 |
11528488 |
1 |
N3C11H15 |
A3B11C15 |
44.89 |
3.15 |
-9.14 |
-0.85 |
0 |
|
|
48930 |
11528489 |
1 |
NC13H19 |
AB13C19 |
-4.61 |
2.79 |
-8.88 |
0.72 |
0 |
|
|
48931 |
11528490 |
1 |
OH6N6C7 |
AB6C6D7 |
125.06 |
4.81 |
-9.43 |
-1.15 |
0 |
|
|
48932 |
11528491 |
2 |
NOC5H5 |
ABC5D5 |
-40.58 |
4.55 |
-8.5 |
-0.56 |
0 |