List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
319735 |
126657138 |
2 |
NO2C12H13 |
AB2C12D13 |
-97.92 |
4.98 |
-8.47 |
-0.16 |
0 |
|
|
319736 |
126657140 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-30.03 |
3.25 |
-8.65 |
-0.38 |
0 |
|
|
319737 |
126657143 |
1 |
N3O3C23H25 |
A3B3C23D25 |
-59.08 |
7.28 |
-8.46 |
-0.28 |
0 |
|
|
319738 |
126657144 |
1 |
SN2O3C20H20 |
AB2C3D20E20 |
-57.81 |
2.32 |
-8.87 |
-0.6 |
0 |
|
|
319739 |
126657145 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-31.72 |
3.82 |
-8.7 |
-0.4 |
0 |
|
|
319741 |
126657150 |
1 |
N3O3C23H23 |
A3B3C23D23 |
-43.37 |
4.98 |
-8.42 |
-0.87 |
0 |
|
|
319743 |
126657153 |
1 |
O2N3C23H31 |
A2B3C23D31 |
-21.33 |
5.29 |
-7.76 |
-0.13 |
0 |
|
|
319744 |
126657154 |
1 |
NC13H23 |
AB13C23 |
-16.52 |
1.37 |
-8.47 |
1.41 |
0 |
|
|
319745 |
126657157 |
1 |
N3C10H19 |
A3B10C19 |
16.8 |
4.72 |
-9.59 |
0.44 |
0 |
|
|
319746 |
126657166 |
1 |
N2C9H18 |
A2B9C18 |
-2.15 |
0.99 |
-8.14 |
0.54 |
0 |
|
|
319749 |
126657170 |
1 |
OC24H38 |
AB24C38 |
-48.3 |
1.82 |
-8.21 |
0.02 |
0 |
|
|
319750 |
126657174 |
1 |
O2N3C26H27 |
A2B3C26D27 |
-1.03 |
3.64 |
-8.29 |
-0.85 |
0 |
|
|
319752 |
126657181 |
1 |
N2O3C25H26 |
A2B3C25D26 |
-38.51 |
1.81 |
-8.82 |
-0.42 |
0 |
|
|
319753 |
126657187 |
1 |
O3N4C32H36 |
A3B4C32D36 |
-30.09 |
6.05 |
-8.88 |
-0.46 |
0 |
|
|
319754 |
126657188 |
1 |
SO2N6C23H26 |
AB2C6D23E26 |
25.71 |
5.49 |
-8.86 |
-0.87 |
0 |
|
|
319755 |
126657190 |
2 |
NC6H13 |
AB6C13 |
-35.3 |
1.8 |
-8.31 |
2.8 |
0 |
|
|
319756 |
126657192 |
1 |
NH9C13 |
AB9C13 |
80.14 |
1.85 |
-9.06 |
-0.91 |
0 |
|
|
319757 |
126657198 |
2 |
NO3H9C11 |
AB3C9D11 |
-187.99 |
4.99 |
-9.64 |
-1.04 |
0 |
|
|
319758 |
126657199 |
2 |
NOC6H9 |
ABC6D9 |
8.9 |
0.22 |
-9.24 |
-0.74 |
0 |
|
|
319762 |
126657231 |
1 |
ClFNO3H19C20 |
ABCD3E19F20 |
-159.44 |
6.21 |
-9.64 |
-0.81 |
0 |
|
|
319763 |
126657232 |
1 |
ClNO5C26H34 |
ABC5D26E34 |
-239.55 |
4.72 |
-9.23 |
-0.32 |
0 |
|
|
319764 |
126657241 |
1 |
ClS2N5O9C28H36 |
AB2C5D9E28F36 |
-316.5 |
8.15 |
-9.12 |
-1.18 |
0 |
|
|
319768 |
126657251 |
1 |
O3C17H28 |
A3B17C28 |
-150.17 |
4.22 |
-10.15 |
2.0 |
0 |
|
|
319771 |
126657259 |
1 |
ClSN5O9C27H34 |
ABC5D9E27F34 |
-337.11 |
4.66 |
-9.1 |
-0.96 |
0 |
|
|
319772 |
126657260 |
2 |
OC7H14 |
AB7C14 |
-142.57 |
1.75 |
-9.7 |
2.04 |
0 |
|
|
319774 |
126657267 |
2 |
OC9H19 |
AB9C19 |
-169.08 |
2.81 |
-9.79 |
1.92 |
0 |
|
|
319775 |
126657268 |
1 |
N16O20H58C65 |
A16B20C58D65 |
223.43 |
32.53 |
-6.55 |
-2.91 |
0 |
|
|
319776 |
126657270 |
1 |
ON2C18H34 |
AB2C18D34 |
-59.19 |
1.86 |
-10.45 |
-0.15 |
0 |
|
|
319777 |
126657271 |
1 |
N2C17H32 |
A2B17C32 |
-38.77 |
4.53 |
-9.08 |
0.8 |
0 |
|
|
319779 |
126657275 |
1 |
NOC11H17 |
ABC11D17 |
-54.86 |
4.93 |
-8.96 |
-0.4 |
0 |
|
|
319780 |
126657279 |
1 |
NO2C14H27 |
AB2C14D27 |
-138.86 |
6.07 |
-10.12 |
0.88 |
0 |
|
|
319781 |
126657280 |
1 |
NO2C17H33 |
AB2C17D33 |
-153.76 |
6.33 |
-10.14 |
0.89 |
0 |
|
|
319782 |
126657285 |
2 |
OC9H18 |
AB9C18 |
-171.43 |
5.27 |
-10.46 |
0.78 |
0 |
|
|
319783 |
126657288 |
1 |
O3C17H30 |
A3B17C30 |
-172.07 |
5.38 |
-9.55 |
0.18 |
0 |
|
|
319784 |
126657290 |
1 |
ClFNO6C30H35 |
ABCD6E30F35 |
-304.93 |
3.53 |
-9.39 |
-0.6 |
0 |
|
|
319785 |
126657293 |
1 |
ISF2N3H10C14 |
ABC2D3E10F14 |
21.1 |
1.3 |
-8.85 |
-2.7 |
0 |
|
|
319787 |
126657295 |
1 |
IO2N3C9H12 |
AB2C3D9E12 |
-18.44 |
2.3 |
-9.14 |
-1.38 |
0 |
|
|
319788 |
126657305 |
1 |
NO2C8H11 |
AB2C8D11 |
-24.47 |
3.12 |
-9.05 |
-0.1 |
0 |
|
|
319789 |
126657306 |
1 |
SO3C12H24 |
AB3C12D24 |
-176.35 |
4.7 |
-10.85 |
0.75 |
0 |
|
|
319792 |
126657311 |
1 |
NO2C10H19 |
AB2C10D19 |
-124.09 |
5.87 |
-10.06 |
0.99 |
0 |
|
|
319793 |
126657316 |
1 |
IO4C9H17 |
AB4C9D17 |
-181.13 |
3.11 |
-9.75 |
-2.73 |
0 |
|
|
319794 |
126657319 |
1 |
NO2C15H31 |
AB2C15D31 |
-156.68 |
3.32 |
-10.29 |
0.96 |
0 |
|
|
319795 |
126657320 |
1 |
NO2C15H31 |
AB2C15D31 |
-156.53 |
2.74 |
-10.17 |
0.85 |
0 |
|
|
319796 |
126657321 |
1 |
OSN3C16H29 |
ABC3D16E29 |
-27.03 |
4.3 |
-8.32 |
-0.07 |
0 |
|
|
319798 |
126657323 |
1 |
N2O2C13H26 |
A2B2C13D26 |
-140.51 |
0.76 |
-9.86 |
0.7 |
0 |
|
|
319799 |
126657324 |
2 |
NOC7H14 |
ABC7D14 |
-144.51 |
1.57 |
-9.87 |
0.64 |
0 |
|
|
319800 |
126657326 |
1 |
NO3C17H25 |
AB3C17D25 |
-125.22 |
2.66 |
-8.26 |
0.11 |
0 |
|
|
319801 |
126657328 |
1 |
NOC10H11 |
ABC10D11 |
-1.74 |
2.89 |
-9.85 |
-0.77 |
0 |
|
|
319804 |
126657331 |
1 |
O2C17H36 |
A2B17C36 |
-176.4 |
2.72 |
-10.25 |
2.43 |
0 |
|
|
319805 |
126657333 |
1 |
PC8H17 |
AB8C17 |
-21.25 |
1.47 |
-8.98 |
1.23 |
0 |