List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
279950 |
103845893 |
1 |
NSO5C6H11 |
ABC5D6E11 |
-221.58 |
6.71 |
-10.35 |
0.18 |
0 |
|
|
279951 |
103845898 |
1 |
NO3C11H11 |
AB3C11D11 |
-79.97 |
3.76 |
-9.43 |
-0.72 |
0 |
|
|
279952 |
103845900 |
1 |
NO6C8H13 |
AB6C8D13 |
-270.14 |
4.33 |
-10.81 |
-0.3 |
0 |
|
|
279953 |
103845902 |
1 |
N2O4C9H10 |
A2B4C9D10 |
-142.19 |
3.31 |
-8.95 |
-1.1 |
0 |
|
|
279954 |
103845907 |
1 |
ClSO2C8H9 |
ABC2D8E9 |
-79.39 |
4.09 |
-9.52 |
-0.91 |
0 |
|
|
279955 |
103845908 |
1 |
NO5C9H9 |
AB5C9D9 |
-203.58 |
6.95 |
-9.7 |
-1.03 |
0 |
|
|
279956 |
103845910 |
1 |
NO2C10H19 |
AB2C10D19 |
-124.88 |
3.03 |
-9.91 |
0.99 |
0 |
|
|
279957 |
103845915 |
1 |
N3C11H19 |
A3B11C19 |
13.04 |
1.36 |
-8.79 |
-0.1 |
0 |
|
|
279958 |
103845925 |
1 |
NOC9H19 |
ABC9D19 |
-64.99 |
1.12 |
-8.56 |
2.71 |
0 |
|
|
279959 |
103845949 |
1 |
NO5C7H13 |
AB5C7D13 |
-237.56 |
2.55 |
-10.32 |
0.21 |
0 |
|
|
279960 |
103845953 |
1 |
N2C11H24 |
A2B11C24 |
-33.47 |
3.21 |
-8.99 |
2.64 |
0 |
|
|
279961 |
103845961 |
1 |
O2N3C9H15 |
A2B3C9D15 |
-54.38 |
2.29 |
-10.14 |
0.7 |
0 |
|
|
279962 |
103845968 |
1 |
ClINC9H11 |
ABCD9E11 |
17.27 |
1.06 |
-9.5 |
-1.18 |
0 |
|
|
279963 |
103845969 |
1 |
BrNC11H16 |
ABC11D16 |
-1.99 |
2.72 |
-9.43 |
-0.14 |
0 |
|
|
279964 |
103845972 |
1 |
BrINC9H11 |
ABCD9E11 |
28.66 |
1.23 |
-9.51 |
-1.18 |
0 |
|
|
279965 |
103845983 |
1 |
INC11H14 |
ABC11D14 |
44.16 |
2.03 |
-9.25 |
-0.73 |
0 |
|
|
279966 |
103845989 |
1 |
ClNF2C9H10 |
ABC2D9E10 |
-84.65 |
3.61 |
-9.38 |
-0.46 |
0 |
|
|
279967 |
103845990 |
1 |
ClINC9H11 |
ABCD9E11 |
23.99 |
2.34 |
-9.14 |
-1.06 |
0 |
|
|
279968 |
103845991 |
1 |
BrINC9H11 |
ABCD9E11 |
35.3 |
2.03 |
-9.24 |
-0.92 |
0 |
|
|
279969 |
103845992 |
1 |
BrINC10H13 |
ABCD10E13 |
25.52 |
1.45 |
-9.5 |
-1.26 |
0 |
|
|
279970 |
103845994 |
1 |
FINC10H13 |
ABCD10E13 |
-25.31 |
1.12 |
-9.49 |
-1.17 |
0 |
|
|
279971 |
103845995 |
1 |
BrNOC11H16 |
ABCD11E16 |
-33.98 |
3.38 |
-8.87 |
-0.08 |
0 |
|
|
279972 |
103845996 |
1 |
ClINC9H11 |
ABCD9E11 |
26.54 |
4.24 |
-9.3 |
-0.95 |
0 |
|
|
279973 |
103846003 |
1 |
BrNOC11H14 |
ABCD11E14 |
-39.6 |
2.8 |
-8.81 |
0.14 |
0 |
|
|
279974 |
103846006 |
1 |
BrINC10H13 |
ABCD10E13 |
24.53 |
1.17 |
-9.53 |
-1.2 |
0 |
|
|
279975 |
103846008 |
1 |
BrINC10H13 |
ABCD10E13 |
24.1 |
0.99 |
-9.5 |
-1.2 |
0 |
|
|
279976 |
103846009 |
1 |
NSBr2C7H7 |
ABC2D7E7 |
55.36 |
3.67 |
-9.31 |
-0.72 |
0 |
|
|
279977 |
103846010 |
1 |
FINC9H11 |
ABCD9E11 |
-14.67 |
2.63 |
-9.16 |
-1.02 |
0 |
|
|
279978 |
103846013 |
1 |
NOSBr2C6H7 |
ABCD2E6F7 |
-6.86 |
2.22 |
-9.53 |
-0.92 |
0 |
|
|
279979 |
103846062 |
1 |
BrNO2C7H10 |
ABC2D7E10 |
-57.57 |
1.21 |
-9.5 |
-0.21 |
0 |
|
|
279980 |
103846063 |
1 |
BrNOC7H8 |
ABCD7E8 |
14.17 |
1.79 |
-9.49 |
-0.59 |
0 |
|
|
279981 |
103846064 |
1 |
BrNO3C8H10 |
ABC3D8E10 |
-97.17 |
3.41 |
-9.67 |
-0.36 |
0 |
|
|
279982 |
103846065 |
1 |
BrNF2C9H10 |
ABC2D9E10 |
-75.53 |
2.2 |
-9.74 |
-0.82 |
0 |
|
|
279983 |
103846075 |
1 |
BrNOC8H10 |
ABCD8E10 |
11.41 |
1.71 |
-9.44 |
-0.6 |
0 |
|
|
279984 |
103846084 |
1 |
ON2C11H18 |
AB2C11D18 |
-18.92 |
2.58 |
-9.53 |
0.95 |
0 |
|
|
279985 |
103846089 |
1 |
NOC12H19 |
ABC12D19 |
-50.03 |
4.77 |
-9.11 |
0.94 |
0 |
|
|
279986 |
103846090 |
1 |
FNO4C15H20 |
ABC4D15E20 |
-239.46 |
0.85 |
-9.55 |
-0.29 |
0 |
|
|
279987 |
103846102 |
1 |
N2O3C14H28 |
A2B3C14D28 |
-172.18 |
3.0 |
-8.91 |
1.02 |
0 |
|
|
279988 |
103846103 |
1 |
ClFNO4C14H17 |
ABCD4E14F17 |
-236.13 |
5.18 |
-10.01 |
-0.72 |
0 |
|
|
279989 |
103846110 |
1 |
NO4C11H21 |
AB4C11D21 |
-213.91 |
2.11 |
-9.43 |
0.74 |
0 |
|
|
279990 |
103846118 |
1 |
NC15H19 |
AB15C19 |
8.16 |
2.12 |
-8.06 |
0.3 |
0 |
|
|
279991 |
103846125 |
1 |
NC15H21 |
AB15C21 |
19.89 |
1.79 |
-8.66 |
0.63 |
0 |
|
|
279992 |
103846132 |
1 |
NC15H21 |
AB15C21 |
8.11 |
2.41 |
-8.09 |
0.64 |
0 |
|
|
279993 |
103846157 |
1 |
SN3H9C10 |
AB3C9D10 |
69.57 |
7.62 |
-8.8 |
-1.48 |
0 |
|
|
279994 |
103846158 |
1 |
ON3C12H13 |
AB3C12D13 |
25.38 |
4.02 |
-9.57 |
-0.84 |
0 |
|
|
279995 |
103846161 |
1 |
SO2N3C7H11 |
AB2C3D7E11 |
-52.31 |
5.55 |
-9.67 |
-1.06 |
0 |
|
|
279996 |
103846185 |
1 |
ON2C12H26 |
AB2C12D26 |
-78.3 |
3.14 |
-8.64 |
2.62 |
0 |
|
|
279997 |
103846214 |
2 |
NOC5H7 |
ABC5D7 |
-81.37 |
4.97 |
-9.44 |
-0.8 |
0 |
|
|
279998 |
103846217 |
1 |
N2O2C9H10 |
A2B2C9D10 |
-43.04 |
4.96 |
-9.53 |
-0.87 |
0 |
|
|
279999 |
103846219 |
1 |
N2O3C10H14 |
A2B3C10D14 |
-111.55 |
3.99 |
-9.39 |
-0.78 |
0 |