List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
6760 |
69893 |
1 |
SiC13H14 |
AB13C14 |
25.29 |
0.5 |
-9.3 |
0.04 |
0 |
|
|
6761 |
69894 |
2 |
O2H4C5 |
A2B4C5 |
-121.76 |
4.02 |
-8.88 |
-1.2 |
0 |
|
|
6762 |
69895 |
2 |
OC6H8 |
AB6C8 |
-79.52 |
2.68 |
-9.67 |
0.14 |
0 |
|
|
6763 |
69897 |
1 |
N2O5C7H8 |
A2B5C7D8 |
-199.28 |
5.72 |
-10.48 |
-1.65 |
0 |
|
|
6764 |
69898 |
1 |
NPCl2H4O4C6 |
ABC2D4E4F6 |
-139.13 |
4.96 |
-10.58 |
-1.68 |
0 |
|
|
6765 |
69899 |
1 |
FO2N3C8H8 |
AB2C3D8E8 |
-53.65 |
0.95 |
-9.31 |
-0.98 |
0 |
|
|
6766 |
69901 |
1 |
Cl3O3H7C9 |
A3B3C7D9 |
-131.15 |
5.08 |
-10.07 |
-1.27 |
0 |
|
|
6767 |
69903 |
1 |
NO3C11H13 |
AB3C11D13 |
-116.38 |
4.37 |
-10.21 |
-1.13 |
0 |
|
|
6768 |
69904 |
3 |
OC4H4 |
AB4C4 |
-102.24 |
0.26 |
-10.56 |
-1.15 |
0 |
|
|
6769 |
69906 |
2 |
H7C8 |
A7B8 |
25.13 |
0.0 |
-8.44 |
-0.08 |
0 |
|
|
6770 |
69911 |
1 |
OH12C16 |
AB12C16 |
19.82 |
3.41 |
-8.6 |
-1.24 |
0 |
|
|
6771 |
69912 |
1 |
ClFNOH9C13 |
ABCDE9F13 |
-44.85 |
1.08 |
-8.67 |
-0.77 |
0 |
|
|
6772 |
69917 |
1 |
ON3C13H13 |
AB3C13D13 |
3.15 |
4.3 |
-7.96 |
-0.21 |
0 |
|
|
6773 |
69918 |
1 |
OC16H16 |
AB16C16 |
-6.42 |
3.66 |
-9.46 |
-0.51 |
0 |
|
|
6774 |
69951 |
1 |
O2C7H14 |
A2B7C14 |
-116.67 |
1.84 |
-10.67 |
0.93 |
0 |
|
|
6775 |
69960 |
1 |
ClSC3O3H7 |
ABC3D3E7 |
-137.99 |
3.74 |
-11.77 |
-1.8 |
0 |
|
|
6776 |
69979 |
1 |
Br2H6C7 |
A2B6C7 |
21.09 |
2.11 |
-9.72 |
-0.86 |
0 |
|
|
6777 |
69984 |
1 |
NNaO2H4C6 |
ABC2D4E6 |
-42.65 |
4.54 |
-8.38 |
-0.43 |
0 |
|
|
6778 |
69986 |
1 |
NO3H5C6 |
AB3C5D6 |
-60.55 |
6.74 |
-10.21 |
-1.64 |
0 |
|
|
6779 |
69987 |
1 |
ClC9H11 |
AB9C11 |
-9.65 |
2.12 |
-9.06 |
-0.03 |
0 |
|
|
6780 |
69988 |
1 |
O3C7H8 |
A3B7C8 |
-102.8 |
1.93 |
-8.44 |
-0.07 |
0 |
|
|
6781 |
69989 |
1 |
ClC9H11 |
AB9C11 |
-10.38 |
2.45 |
-9.15 |
0.04 |
0 |
|
|
6782 |
69993 |
1 |
ClOC8H9 |
ABC8D9 |
-31.61 |
2.97 |
-8.92 |
-0.05 |
0 |
|
|
6783 |
69995 |
1 |
OC10H14 |
AB10C14 |
-53.54 |
3.39 |
-9.58 |
0.2 |
0 |
|
|
6784 |
69999 |
1 |
SH8C10 |
AB8C10 |
51.49 |
0.49 |
-9.04 |
-0.47 |
0 |
|
|
6785 |
70000 |
1 |
C11H12 |
A11B12 |
50.42 |
0.34 |
-9.47 |
0.35 |
0 |
|
|
6786 |
70001 |
1 |
NaSO4H5C6 |
ABC4D5E6 |
-184.83 |
6.77 |
-9.31 |
0.06 |
0 |
|
|
6787 |
70003 |
1 |
OC11H12 |
AB11C12 |
-27.51 |
3.57 |
-9.57 |
-0.11 |
0 |
|
|
6788 |
70004 |
2 |
H5C6 |
A5B6 |
54.8 |
0.18 |
-8.75 |
-0.45 |
0 |
|
|
6789 |
70006 |
3 |
NC3H3 |
AB3C3 |
73.69 |
3.54 |
-8.87 |
-0.31 |
0 |
|
|
6790 |
70017 |
1 |
PH11C12 |
AB11C12 |
46.89 |
1.58 |
-8.86 |
0.17 |
0 |
|
|
6791 |
70019 |
2 |
O2C5H6 |
A2B5C6 |
-130.25 |
6.62 |
-9.28 |
-0.09 |
0 |
|
|
6792 |
70021 |
1 |
SN2O2C9H10 |
AB2C2D9E10 |
21.25 |
4.11 |
-9.18 |
-1.56 |
0 |
|
|
6793 |
70022 |
1 |
N2O5H6C7 |
A2B5C6D7 |
-91.92 |
4.37 |
-10.65 |
-2.7 |
0 |
|
|
6794 |
70023 |
1 |
NOF4H7C8 |
ABC4D7E8 |
-227.59 |
3.31 |
-8.86 |
0.08 |
0 |
|
|
6795 |
70028 |
1 |
N2H8C13 |
A2B8C13 |
114.45 |
0.77 |
-8.59 |
-0.71 |
0 |
|
|
6796 |
70032 |
1 |
O3C12H14 |
A3B12C14 |
-124.44 |
9.04 |
-10.09 |
-1.0 |
0 |
|
|
6797 |
70033 |
1 |
ClNOC13H18 |
ABCD13E18 |
-53.38 |
3.3 |
-8.79 |
-0.5 |
0 |
|
|
6798 |
70043 |
2 |
OC7H7 |
AB7C7 |
-37.94 |
3.32 |
-8.94 |
0.05 |
0 |
|
|
6799 |
70044 |
1 |
O2C15H16 |
A2B15C16 |
-53.87 |
2.46 |
-8.78 |
0.15 |
0 |
|
|
6800 |
70045 |
1 |
N3O4C10H13 |
A3B4C10D13 |
4.35 |
7.46 |
-9.74 |
-1.72 |
0 |
|
|
6801 |
70048 |
1 |
N2C17H20 |
A2B17C20 |
58.5 |
0.47 |
-8.79 |
0.22 |
0 |
|
|
6802 |
70057 |
1 |
NSH11C19 |
ABC11D19 |
114.46 |
1.92 |
-8.57 |
-1.54 |
0 |
|
|
6803 |
70124 |
1 |
O3C7H8 |
A3B7C8 |
-112.02 |
3.88 |
-10.6 |
-0.84 |
0 |
|
|
6804 |
70129 |
1 |
NOH7C8 |
ABC7D8 |
13.41 |
5.41 |
-9.37 |
-0.51 |
0 |
|
|
6805 |
70136 |
1 |
OCl2H6C8 |
AB2C6D8 |
-35.55 |
4.18 |
-10.49 |
-1.45 |
0 |
|
|
6806 |
70137 |
1 |
BrNOH6C9 |
ABCD6E9 |
12.87 |
4.55 |
-9.28 |
-0.87 |
0 |
|
|
6807 |
70138 |
1 |
OC11H16 |
AB11C16 |
-3.93 |
1.88 |
-9.42 |
0.93 |
0 |
|
|
6808 |
70139 |
2 |
Cl2H3C4 |
A2B3C4 |
-25.21 |
1.79 |
-9.5 |
-0.82 |
0 |
|
|
6809 |
70141 |
2 |
OC5H6 |
AB5C6 |
-82.31 |
1.85 |
-8.9 |
0.15 |
0 |