List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
79002 |
49743039 |
1 |
ClN2O2H15C18 |
AB2C2D15E18 |
-49.81 |
5.27 |
-8.94 |
-1.16 |
0 |
|
|
79003 |
49743046 |
2 |
FNOH7C9 |
ABCD7E9 |
-131.41 |
3.85 |
-9.0 |
-1.31 |
0 |
|
|
79004 |
49743047 |
2 |
ClNOH7C9 |
ABCD7E9 |
-58.65 |
4.59 |
-8.94 |
-1.34 |
0 |
|
|
79005 |
49743050 |
1 |
BrClN2O2H14C18 |
ABC2D2E14F18 |
-46.07 |
4.68 |
-8.94 |
-1.33 |
0 |
|
|
79006 |
49743053 |
1 |
N3O4H15C18 |
A3B4C15D18 |
-43.34 |
2.59 |
-9.08 |
-1.9 |
0 |
|
|
79007 |
49743080 |
2 |
NO2C10H10 |
AB2C10D10 |
-119.07 |
4.98 |
-8.91 |
-0.85 |
0 |
|
|
79008 |
49743084 |
1 |
N2O3C20H20 |
A2B3C20D20 |
-82.32 |
5.1 |
-8.92 |
-0.85 |
0 |
|
|
79009 |
49743088 |
1 |
SN2O2C20H20 |
AB2C2D20E20 |
-47.67 |
3.83 |
-8.9 |
-0.83 |
0 |
|
|
79010 |
49743089 |
1 |
N2O2H18C19 |
A2B2C18D19 |
-50.17 |
4.85 |
-8.85 |
-0.77 |
0 |
|
|
79011 |
49743090 |
1 |
N2O3C20H20 |
A2B3C20D20 |
-90.4 |
5.17 |
-8.83 |
-0.74 |
0 |
|
|
79012 |
49743097 |
1 |
N2O2H20C23 |
A2B2C20D23 |
-33.24 |
4.85 |
-8.85 |
-0.89 |
0 |
|
|
79013 |
49743102 |
1 |
N2O2C21H22 |
A2B2C21D22 |
-59.97 |
5.22 |
-8.84 |
-0.75 |
0 |
|
|
79014 |
49743103 |
2 |
NOH12C13 |
ABC12D13 |
-26.43 |
4.97 |
-8.86 |
-0.77 |
0 |
|
|
79015 |
49743117 |
1 |
N2O3H20C25 |
A2B3C20D25 |
-55.31 |
4.67 |
-8.86 |
-0.8 |
0 |
|
|
79016 |
49743121 |
1 |
N3O4C23H23 |
A3B4C23D23 |
-128.78 |
2.24 |
-8.84 |
-1.03 |
0 |
|
|
79017 |
49743125 |
1 |
N3O3C24H25 |
A3B3C24D25 |
-104.23 |
4.39 |
-8.6 |
-0.97 |
0 |
|
|
79018 |
49743127 |
1 |
N2O3C21H22 |
A2B3C21D22 |
-96.1 |
5.57 |
-8.76 |
-0.67 |
0 |
|
|
79019 |
49743131 |
1 |
SN2O2C20H20 |
AB2C2D20E20 |
-50.27 |
5.97 |
-8.83 |
-0.82 |
0 |
|
|
79020 |
49743132 |
1 |
N2O4H16C21 |
A2B4C16D21 |
-90.45 |
2.31 |
-9.11 |
-1.59 |
0 |
|
|
79021 |
49743134 |
2 |
FNOH7C9 |
ABCD7E9 |
-134.73 |
4.4 |
-8.95 |
-1.19 |
0 |
|
|
79022 |
49743136 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
-50.46 |
5.69 |
-8.81 |
-1.38 |
0 |
|
|
79023 |
49743142 |
1 |
ClN2O2H17C19 |
AB2C2D17E19 |
-60.38 |
5.68 |
-8.86 |
-0.79 |
0 |
|
|
79024 |
49743147 |
1 |
N3O3H17C21 |
A3B3C17D21 |
-14.83 |
7.33 |
-8.92 |
-1.28 |
0 |
|
|
79025 |
49743154 |
1 |
O3N4C17H18 |
A3B4C17D18 |
-64.99 |
9.26 |
-8.62 |
-0.65 |
0 |
|
|
79026 |
49743155 |
2 |
ON2H9C10 |
AB2C9D10 |
-19.83 |
5.78 |
-8.86 |
-1.09 |
0 |
|
|
79027 |
49743156 |
1 |
N3O4H17C20 |
A3B4C17D20 |
-107.75 |
5.64 |
-9.03 |
-1.01 |
0 |
|
|
79028 |
49743157 |
2 |
ON2H8C10 |
AB2C8D10 |
1.6 |
4.91 |
-8.95 |
-1.82 |
0 |
|
|
79029 |
49743159 |
1 |
O2N3H15C17 |
A2B3C15D17 |
-29.02 |
2.78 |
-9.01 |
-1.13 |
0 |
|
|
79030 |
49743161 |
2 |
NOC8H9 |
ABC8D9 |
-69.53 |
5.27 |
-8.84 |
-0.75 |
0 |
|
|
79031 |
49746478 |
1 |
SO2N3C14H15 |
AB2C3D14E15 |
33.61 |
3.52 |
-9.34 |
-1.12 |
0 |
|
|
79032 |
49746479 |
1 |
SN3O3H17C18 |
AB3C3D17E18 |
11.61 |
3.1 |
-8.92 |
-1.15 |
0 |
|
|
79033 |
49746483 |
1 |
ClFSO2N3H13C17 |
ABCD2E3F13G17 |
-0.74 |
3.86 |
-9.33 |
-1.08 |
0 |
|
|
79034 |
49746486 |
1 |
SN4O4H18C21 |
AB4C4D18E21 |
-18.4 |
5.01 |
-9.33 |
-1.36 |
0 |
|
|
79035 |
49746488 |
1 |
SO2N5H13C14 |
AB2C5D13E14 |
81.3 |
1.97 |
-9.34 |
-1.11 |
0 |
|
|
79036 |
49746489 |
1 |
SO3N4H14C16 |
AB3C4D14E16 |
76.4 |
2.98 |
-9.35 |
-1.1 |
0 |
|
|
79037 |
49746492 |
1 |
FSO2N5H16C20 |
ABC2D5E16F20 |
54.81 |
3.16 |
-9.07 |
-1.19 |
0 |
|
|
79038 |
49746493 |
1 |
SO4N5H21C22 |
AB4C5D21E22 |
25.37 |
3.05 |
-8.2 |
-1.16 |
0 |
|
|
79039 |
49746494 |
1 |
SO4N5H15C20 |
AB4C5D15E20 |
40.6 |
3.93 |
-8.72 |
-1.19 |
0 |
|
|
79040 |
49746501 |
1 |
SF3N3O3H12C17 |
AB3C3D3E12F17 |
-142.19 |
3.92 |
-9.42 |
-1.18 |
0 |
|
|
79041 |
49746502 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
58.85 |
2.35 |
-8.8 |
-0.95 |
0 |
|
|
79042 |
49746513 |
1 |
BrFOSN3H13C16 |
ABCDE3F13G16 |
54.51 |
2.19 |
-9.32 |
-1.01 |
0 |
|
|
79043 |
49746514 |
1 |
OSN3C18H19 |
ABC3D18E19 |
88.39 |
3.06 |
-9.23 |
-0.95 |
0 |
|
|
79044 |
49746516 |
1 |
OS2N3H13C14 |
AB2C3D13E14 |
105.69 |
2.73 |
-8.95 |
-0.96 |
0 |
|
|
79045 |
49746525 |
1 |
SN3O3C19H21 |
AB3C3D19E21 |
15.48 |
2.24 |
-8.32 |
-0.89 |
0 |
|
|
79046 |
49746528 |
1 |
OSN3C19H21 |
ABC3D19E21 |
80.24 |
3.04 |
-9.19 |
-0.93 |
0 |
|
|
79047 |
49746536 |
1 |
SO2F3N3H14C17 |
AB2C3D3E14F17 |
-105.61 |
4.26 |
-9.28 |
-1.0 |
0 |
|
|
79048 |
49746562 |
1 |
SO2N4C19H20 |
AB2C4D19E20 |
43.21 |
3.15 |
-8.62 |
-1.09 |
0 |
|
|
79049 |
49746563 |
1 |
SO2N4C21H24 |
AB2C4D21E24 |
32.53 |
3.09 |
-8.61 |
-1.07 |
0 |
|
|
79050 |
49746565 |
1 |
FSO2N4H15C17 |
ABC2D4E15F17 |
7.8 |
4.8 |
-9.14 |
-1.13 |
0 |
|
|
79051 |
49746572 |
1 |
ClSO2N4H17C18 |
ABC2D4E17F18 |
37.26 |
3.62 |
-8.81 |
-1.12 |
0 |