List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
9011 |
84975 |
1 |
Cl2N2C7H20 |
A2B2C7D20 |
-101.54 |
4.94 |
-9.59 |
1.66 |
0 |
|
|
9012 |
84976 |
1 |
ClN5C6H16 |
AB5C6D16 |
-20.0 |
2.93 |
-9.06 |
0.3 |
0 |
|
|
9014 |
85007 |
1 |
NSO3C12H13 |
ABC3D12E13 |
-57.1 |
17.84 |
-9.55 |
-2.46 |
0 |
|
|
9015 |
85043 |
1 |
SSnC4H10 |
ABC4D10 |
20.58 |
6.83 |
-8.27 |
-0.6 |
0 |
|
|
9016 |
85068 |
1 |
OC11F22 |
AB11C22 |
-1114.24 |
1.17 |
-12.6 |
-1.41 |
0 |
|
|
9017 |
85076 |
1 |
NO3H7C10 |
AB3C7D10 |
-87.86 |
4.54 |
-9.51 |
-1.62 |
0 |
|
|
9018 |
85079 |
1 |
TiO6C18H36 |
AB6C18D36 |
-355.05 |
7.59 |
-8.04 |
-2.42 |
0 |
|
|
9019 |
85111 |
3 |
NC3H3 |
AB3C3 |
66.11 |
2.39 |
-8.8 |
-0.72 |
0 |
|
|
9021 |
85194 |
1 |
NOC5H13 |
ABC5D13 |
-59.68 |
2.51 |
-9.03 |
2.33 |
0 |
|
|
9022 |
85198 |
1 |
N2O2C13H18 |
A2B2C13D18 |
-91.86 |
2.06 |
-8.69 |
-0.24 |
0 |
|
|
9023 |
85199 |
1 |
ClN3H6C8 |
AB3C6D8 |
55.39 |
5.85 |
-9.15 |
-1.06 |
0 |
|
|
9024 |
85200 |
1 |
Cl2O3C10H10 |
A2B3C10D10 |
-123.26 |
1.35 |
-9.39 |
-0.94 |
0 |
|
|
9025 |
85235 |
1 |
NO5C9H19 |
AB5C9D19 |
-242.95 |
3.08 |
-9.99 |
0.07 |
0 |
|
|
9026 |
85285 |
1 |
OZnCl4N7H19C21 |
ABC4D7E19F21 |
105.88 |
13.79 |
-8.68 |
-2.44 |
0 |
|
|
9027 |
85324 |
1 |
SO2C10H10 |
AB2C10D10 |
-10.84 |
7.14 |
-10.2 |
-0.54 |
0 |
|
|
9028 |
85386 |
1 |
N2O3C8H10 |
A2B3C8D10 |
-30.79 |
7.45 |
-8.8 |
-1.08 |
0 |
|
|
9029 |
85387 |
1 |
OSN3H9C19 |
ABC3D9E19 |
112.45 |
7.52 |
-8.77 |
-2.27 |
0 |
|
|
9030 |
85388 |
1 |
OSN3H9C19 |
ABC3D9E19 |
92.19 |
8.12 |
-8.75 |
-2.09 |
0 |
|
|
9031 |
85389 |
2 |
OC6H11 |
AB6C11 |
-75.27 |
1.15 |
-10.06 |
1.22 |
0 |
|
|
9032 |
85457 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-59.46 |
2.78 |
-8.54 |
-0.93 |
0 |
|
|
9033 |
85466 |
2 |
NO2H5C7 |
AB2C5D7 |
-107.06 |
2.21 |
-8.05 |
-1.62 |
0 |
|
|
9034 |
85470 |
1 |
SiO3C13H20 |
AB3C13D20 |
-191.95 |
0.99 |
-8.82 |
0.34 |
0 |
|
|
9035 |
85473 |
1 |
O4N5C11H15 |
A4B5C11D15 |
-120.88 |
3.37 |
-9.15 |
-0.54 |
0 |
|
|
9036 |
85475 |
1 |
NOC22H45 |
ABC22D45 |
-123.47 |
1.62 |
-8.61 |
2.14 |
0 |
|
|
9037 |
85485 |
1 |
SO4N5H11C13 |
AB4C5D11E13 |
-41.71 |
6.27 |
-9.56 |
-1.73 |
0 |
|
|
9038 |
85496 |
1 |
OF4H8C14 |
AB4C8D14 |
-191.66 |
2.06 |
-10.38 |
-1.36 |
0 |
|
|
9039 |
85535 |
2 |
OC13H26 |
AB13C26 |
-208.2 |
1.68 |
-10.37 |
0.93 |
0 |
|
|
9040 |
85553 |
1 |
NO3C6H11 |
AB3C6D11 |
-127.29 |
4.53 |
-9.79 |
0.23 |
0 |
|
|
9041 |
85554 |
2 |
NOC4H5 |
ABC4D5 |
-74.59 |
4.18 |
-8.69 |
0.13 |
0 |
|
|
9042 |
85555 |
1 |
N2O3H10C17 |
A2B3C10D17 |
-6.05 |
3.05 |
-8.96 |
-1.93 |
0 |
|
|
9043 |
85556 |
1 |
ClSiC5H11 |
ABC5D11 |
-28.57 |
2.0 |
-9.53 |
0.41 |
0 |
|
|
9044 |
85558 |
1 |
O4C9H14 |
A4B9C14 |
-202.88 |
6.31 |
-10.92 |
-0.08 |
0 |
|
|
9045 |
85565 |
1 |
ClNO4C12H14 |
ABC4D12E14 |
-154.71 |
5.02 |
-8.29 |
-0.18 |
0 |
|
|
9046 |
85580 |
1 |
NOC9H21 |
ABC9D21 |
-75.46 |
2.16 |
-9.29 |
2.25 |
0 |
|
|
9047 |
85588 |
1 |
FNOH4C7 |
ABCD4E7 |
-40.02 |
3.14 |
-9.48 |
-0.71 |
0 |
|
|
9048 |
85591 |
2 |
NOC4H5 |
ABC4D5 |
-1.83 |
8.6 |
-8.55 |
-0.7 |
0 |
|
|
9049 |
85621 |
1 |
ClNOH4C5 |
ABCD4E5 |
-29.93 |
3.12 |
-9.52 |
-0.82 |
0 |
|
|
9050 |
85629 |
1 |
NO2C12H25 |
AB2C12D25 |
-69.71 |
4.18 |
-10.6 |
-0.44 |
0 |
|
|
9051 |
85644 |
1 |
SnCl2O4C10H14 |
AB2C4D10E14 |
-164.55 |
6.21 |
-9.6 |
-1.87 |
0 |
|
|
9053 |
85646 |
2 |
O4C7H7 |
A4B7C7 |
-319.15 |
0.58 |
-11.22 |
-2.22 |
0 |
|
|
9054 |
85651 |
2 |
OC12H24 |
AB12C24 |
-197.77 |
1.71 |
-10.55 |
0.92 |
0 |
|
|
9055 |
85652 |
1 |
O4C19H36 |
A4B19C36 |
-249.66 |
3.35 |
-11.06 |
0.42 |
0 |
|
|
9056 |
85656 |
1 |
N2O2C9H12 |
A2B2C9D12 |
-66.53 |
4.28 |
-10.45 |
0.17 |
0 |
|
|
9057 |
85661 |
1 |
NC14H31 |
AB14C31 |
-56.64 |
1.49 |
-8.51 |
2.94 |
0 |
|
|
9058 |
85688 |
1 |
O2C23H32 |
A2B23C32 |
-107.63 |
2.27 |
-8.78 |
0.26 |
0 |
|
|
9059 |
85697 |
1 |
NOC15H23 |
ABC15D23 |
-41.56 |
2.33 |
-8.61 |
0.23 |
0 |
|
|
9060 |
85698 |
1 |
O2C13H20 |
A2B13C20 |
-132.74 |
4.78 |
-10.42 |
0.7 |
0 |
|
|
9061 |
85707 |
4 |
O4C7H8 |
A4B7C8 |
-625.36 |
4.13 |
-8.6 |
-1.34 |
0 |
|
|
9062 |
85709 |
1 |
O2C11H22 |
A2B11C22 |
-138.48 |
4.54 |
-10.77 |
0.73 |
0 |
|
|
9063 |
85711 |
1 |
ClN2O2C17H29 |
AB2C2D17E29 |
-133.38 |
5.91 |
-8.71 |
-0.38 |
0 |