List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
281000 |
103852361 |
1 |
O2F3N3C8H8 |
A2B3C3D8E8 |
-193.03 |
2.61 |
-10.58 |
-1.45 |
0 |
|
|
281001 |
103852362 |
1 |
O2N3C10H13 |
A2B3C10D13 |
-41.58 |
7.31 |
-9.9 |
-0.95 |
0 |
|
|
281002 |
103852367 |
1 |
SO2N3C10H15 |
AB2C3D10E15 |
-41.08 |
5.84 |
-9.16 |
-1.1 |
0 |
|
|
281003 |
103852374 |
1 |
FNO3C13H18 |
ABC3D13E18 |
-184.97 |
2.27 |
-9.32 |
-0.96 |
0 |
|
|
281004 |
103852375 |
1 |
ClN2O3C15H21 |
AB2C3D15E21 |
-142.43 |
2.91 |
-9.84 |
-0.91 |
0 |
|
|
281005 |
103852376 |
1 |
N3O3C13H27 |
A3B3C13D27 |
-184.74 |
5.34 |
-9.76 |
0.64 |
0 |
|
|
281006 |
103852377 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-67.3 |
5.64 |
-8.93 |
-0.93 |
0 |
|
|
281007 |
103852381 |
1 |
N2O3C11H20 |
A2B3C11D20 |
-162.27 |
2.18 |
-10.08 |
0.64 |
0 |
|
|
281008 |
103852382 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-141.88 |
2.96 |
-9.57 |
-0.23 |
0 |
|
|
281009 |
103852384 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-128.08 |
2.58 |
-9.5 |
-0.92 |
0 |
|
|
281010 |
103852387 |
1 |
ClN2O3C15H21 |
AB2C3D15E21 |
-145.25 |
4.33 |
-9.98 |
-1.07 |
0 |
|
|
281011 |
103852388 |
1 |
N3O3C13H27 |
A3B3C13D27 |
-182.96 |
6.41 |
-9.64 |
0.67 |
0 |
|
|
281012 |
103852390 |
1 |
NO4C15H23 |
AB4C15D23 |
-168.15 |
0.99 |
-9.21 |
-0.34 |
0 |
|
|
281013 |
103852397 |
1 |
NO3C14H21 |
AB3C14D21 |
-146.4 |
5.0 |
-9.33 |
-0.14 |
0 |
|
|
281014 |
103852399 |
1 |
BrN2O3C15H21 |
AB2C3D15E21 |
-137.18 |
6.32 |
-9.8 |
-1.01 |
0 |
|
|
281015 |
103852405 |
1 |
N3O3C13H17 |
A3B3C13D17 |
-88.28 |
6.54 |
-9.96 |
-1.07 |
0 |
|
|
281016 |
103852419 |
1 |
N2O4C13H14 |
A2B4C13D14 |
-60.02 |
7.15 |
-9.85 |
-1.53 |
0 |
|
|
281017 |
103852421 |
1 |
N2O4C13H14 |
A2B4C13D14 |
-67.63 |
4.46 |
-9.61 |
-1.66 |
0 |
|
|
281018 |
103852423 |
1 |
FNO2C13H14 |
ABC2D13E14 |
-111.57 |
5.93 |
-9.35 |
-0.61 |
0 |
|
|
281019 |
103852426 |
1 |
FNO2C13H16 |
ABC2D13E16 |
-128.2 |
4.95 |
-9.49 |
-0.7 |
0 |
|
|
281020 |
103852427 |
1 |
N2O4C15H26 |
A2B4C15D26 |
-224.19 |
4.14 |
-9.99 |
0.45 |
0 |
|
|
281021 |
103852434 |
1 |
NO2C11H15 |
AB2C11D15 |
-72.2 |
0.99 |
-8.88 |
0.14 |
0 |
|
|
281022 |
103852438 |
1 |
OC13H16 |
AB13C16 |
-40.09 |
4.3 |
-9.51 |
-0.47 |
0 |
|
|
281023 |
103852441 |
1 |
ClNO2C9H10 |
ABC2D9E10 |
-74.69 |
5.75 |
-9.62 |
-1.01 |
0 |
|
|
281024 |
103852442 |
1 |
BrNF2C10H12 |
ABC2D10E12 |
-80.25 |
2.45 |
-9.76 |
-0.84 |
0 |
|
|
281025 |
103852443 |
1 |
NOC13H21 |
ABC13D21 |
-53.73 |
3.21 |
-8.68 |
0.29 |
0 |
|
|
281026 |
103852445 |
1 |
SN2O4C12H14 |
AB2C4D12E14 |
-69.39 |
8.61 |
-9.15 |
-1.53 |
0 |
|
|
281027 |
103852451 |
1 |
ClOSC9H9 |
ABCD9E9 |
-28.66 |
3.53 |
-9.21 |
-0.54 |
0 |
|
|
281028 |
103852456 |
1 |
BrClNC11H15 |
ABCD11E15 |
-7.41 |
0.99 |
-9.53 |
-0.58 |
0 |
|
|
281029 |
103852462 |
1 |
NF4C13H17 |
AB4C13D17 |
-215.12 |
3.64 |
-9.76 |
-0.96 |
0 |
|
|
281030 |
103852464 |
1 |
N3C9H17 |
A3B9C17 |
1.71 |
3.76 |
-9.31 |
0.59 |
0 |
|
|
281031 |
103852469 |
1 |
NF2C13H19 |
AB2C13D19 |
-103.24 |
2.83 |
-9.35 |
-0.03 |
0 |
|
|
281032 |
103852488 |
1 |
BrClNC10H11 |
ABCD10E11 |
29.31 |
0.3 |
-9.75 |
-0.63 |
0 |
|
|
281033 |
103852489 |
1 |
BrClNC9H9 |
ABCD9E9 |
31.55 |
0.32 |
-9.76 |
-0.66 |
0 |
|
|
281034 |
103852490 |
1 |
BrClNC11H13 |
ABCD11E13 |
23.05 |
0.46 |
-9.77 |
-0.6 |
0 |
|
|
281035 |
103852491 |
1 |
BrClNC10H11 |
ABCD10E11 |
25.4 |
0.53 |
-9.77 |
-0.61 |
0 |
|
|
281036 |
103852493 |
1 |
BrClNC11H15 |
ABCD11E15 |
-8.46 |
1.04 |
-9.64 |
-0.57 |
0 |
|
|
281037 |
103852505 |
1 |
BrNF2C11H14 |
ABC2D11E14 |
-86.15 |
2.57 |
-9.64 |
-0.79 |
0 |
|
|
281038 |
103852520 |
1 |
NOBr2C9H11 |
ABC2D9E11 |
-17.88 |
2.01 |
-9.38 |
-0.56 |
0 |
|
|
281039 |
103852521 |
1 |
NBr2C11H15 |
AB2C11D15 |
1.9 |
1.4 |
-9.13 |
-0.57 |
0 |
|
|
281040 |
103852525 |
1 |
NC12H19 |
AB12C19 |
-8.42 |
2.22 |
-9.18 |
0.43 |
0 |
|
|
281041 |
103852528 |
1 |
NC13H19 |
AB13C19 |
-6.17 |
2.56 |
-9.07 |
0.51 |
0 |
|
|
281042 |
103852550 |
1 |
FNC13H18 |
ABC13D18 |
-53.14 |
2.33 |
-9.15 |
0.15 |
0 |
|
|
281043 |
103852558 |
1 |
ClNC12H16 |
ABC12D16 |
-11.12 |
2.22 |
-9.19 |
-0.01 |
0 |
|
|
281044 |
103852559 |
1 |
ON2C11H16 |
AB2C11D16 |
-19.61 |
5.16 |
-9.01 |
-0.12 |
0 |
|
|
281045 |
103852569 |
1 |
BrFNC11H13 |
ABCD11E13 |
-31.91 |
4.37 |
-9.45 |
-0.35 |
0 |
|
|
281046 |
103852579 |
1 |
FO2C12H13 |
AB2C12D13 |
-113.99 |
3.2 |
-8.98 |
-0.06 |
0 |
|
|
281047 |
103852580 |
1 |
FO2C13H15 |
AB2C13D15 |
-116.81 |
4.27 |
-9.06 |
-0.17 |
0 |
|
|
281048 |
103852586 |
1 |
BrFOH10C11 |
ABCD10E11 |
-67.93 |
3.13 |
-9.78 |
-0.43 |
0 |
|
|
281049 |
103852597 |
1 |
ClO2N3C17H24 |
AB2C3D17E24 |
-101.2 |
5.55 |
-9.2 |
-0.33 |
0 |