List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
197995 |
79027600 |
1 |
NO3C7H9 |
AB3C7D9 |
-106.32 |
1.46 |
-10.34 |
-1.51 |
0 |
|
|
197996 |
79027627 |
1 |
NF2O3C11H13 |
AB2C3D11E13 |
-201.0 |
2.32 |
-9.56 |
-0.77 |
0 |
|
|
197997 |
79027769 |
1 |
NO2C12H25 |
AB2C12D25 |
-141.88 |
3.25 |
-9.74 |
1.18 |
0 |
|
|
197998 |
79027770 |
1 |
NO3C13H19 |
AB3C13D19 |
-124.08 |
3.35 |
-8.61 |
0.41 |
0 |
|
|
197999 |
79028489 |
1 |
NOSC14H21 |
ABCD14E21 |
-36.28 |
3.22 |
-8.68 |
-0.09 |
0 |
|
|
198000 |
79028952 |
1 |
FNO3C13H16 |
ABC3D13E16 |
-152.45 |
5.82 |
-9.6 |
-0.49 |
0 |
|
|
198001 |
79028953 |
1 |
ClN2O2C11H15 |
AB2C2D11E15 |
-77.94 |
1.03 |
-9.12 |
-0.08 |
0 |
|
|
198002 |
79029102 |
1 |
O2F3N3C11H14 |
A2B3C3D11E14 |
-213.52 |
2.66 |
-10.06 |
-0.37 |
0 |
|
|
198003 |
79030250 |
1 |
NO3C8H15 |
AB3C8D15 |
-137.87 |
3.0 |
-9.59 |
0.7 |
0 |
|
|
198004 |
79030251 |
1 |
NSO2C15H21 |
ABC2D15E21 |
-93.0 |
6.27 |
-9.1 |
-0.37 |
0 |
|
|
198005 |
79031802 |
2 |
NC8H10 |
AB8C10 |
34.61 |
2.8 |
-9.27 |
0.0 |
0 |
|
|
198006 |
79031803 |
1 |
NOC16H19 |
ABC16D19 |
-14.38 |
2.86 |
-9.34 |
-0.04 |
0 |
|
|
198007 |
79031804 |
1 |
N3C14H23 |
A3B14C23 |
21.45 |
1.92 |
-8.28 |
0.21 |
0 |
|
|
198008 |
79031805 |
3 |
NC2H5 |
AB2C5 |
3.26 |
1.4 |
-8.6 |
2.49 |
0 |
|
|
198009 |
79031806 |
1 |
N3C18H25 |
A3B18C25 |
40.17 |
3.78 |
-8.66 |
0.42 |
0 |
|
|
198010 |
79031807 |
1 |
N2C19H20 |
A2B19C20 |
47.23 |
1.34 |
-8.24 |
-0.68 |
0 |
|
|
198011 |
79031822 |
1 |
FN2H17C18 |
AB2C17D18 |
9.66 |
1.33 |
-8.47 |
-0.78 |
0 |
|
|
198012 |
79031823 |
1 |
ClN2H17C18 |
AB2C17D18 |
46.96 |
1.68 |
-8.44 |
-0.81 |
0 |
|
|
198013 |
79032149 |
2 |
NOC8H12 |
ABC8D12 |
-64.13 |
2.53 |
-8.56 |
0.13 |
0 |
|
|
198014 |
79032150 |
1 |
FN2C15H23 |
AB2C15D23 |
-47.23 |
2.31 |
-8.64 |
0.17 |
0 |
|
|
198015 |
79032151 |
2 |
ClNC7H10 |
ABC7D10 |
-9.93 |
0.74 |
-8.69 |
-0.49 |
0 |
|
|
198016 |
79032152 |
1 |
N4C13H24 |
A4B13C24 |
21.24 |
1.4 |
-8.41 |
0.85 |
0 |
|
|
198017 |
79032153 |
1 |
ON2C16H26 |
AB2C16D26 |
-39.14 |
2.4 |
-8.5 |
0.4 |
0 |
|
|
198018 |
79032154 |
2 |
NC8H13 |
AB8C13 |
-9.7 |
1.13 |
-8.58 |
0.51 |
0 |
|
|
198019 |
79032261 |
1 |
ClNOC15H22 |
ABCD15E22 |
-69.04 |
3.04 |
-8.89 |
-0.02 |
0 |
|
|
198020 |
79032313 |
1 |
BrN2C14H21 |
AB2C14D21 |
10.84 |
1.71 |
-8.7 |
-0.13 |
0 |
|
|
198021 |
79032314 |
1 |
BrON2C15H23 |
ABC2D15E23 |
-27.03 |
3.68 |
-8.62 |
-0.09 |
0 |
|
|
198022 |
79033287 |
2 |
NOC7H11 |
ABC7D11 |
-81.04 |
4.62 |
-8.98 |
-0.64 |
0 |
|
|
198023 |
79033342 |
1 |
O2N3C9H15 |
A2B3C9D15 |
-68.85 |
3.26 |
-8.46 |
-0.43 |
0 |
|
|
198024 |
79033431 |
1 |
ClN3C10H14 |
AB3C10D14 |
19.94 |
5.05 |
-8.69 |
-0.45 |
0 |
|
|
198025 |
79033649 |
1 |
BrOSN3C10H10 |
ABCD3E10F10 |
26.02 |
2.03 |
-8.34 |
-0.78 |
0 |
|
|
198026 |
79033668 |
1 |
ON4C12H16 |
AB4C12D16 |
25.67 |
2.71 |
-9.13 |
-0.07 |
0 |
|
|
198027 |
79033742 |
1 |
O2N5C10H17 |
A2B5C10D17 |
-64.01 |
3.21 |
-8.89 |
-0.92 |
0 |
|
|
198028 |
79033743 |
1 |
N3C16H21 |
A3B16C21 |
31.49 |
4.4 |
-8.51 |
-0.38 |
0 |
|
|
198029 |
79033744 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-50.76 |
6.77 |
-9.04 |
-0.76 |
0 |
|
|
198030 |
79033745 |
2 |
NO2C5H7 |
AB2C5D7 |
-84.51 |
5.37 |
-9.09 |
-1.31 |
0 |
|
|
198031 |
79033746 |
1 |
O2N4C9H16 |
A2B4C9D16 |
-61.18 |
3.28 |
-8.51 |
-0.04 |
0 |
|
|
198032 |
79033747 |
1 |
N5C13H21 |
A5B13C21 |
23.63 |
4.63 |
-8.45 |
0.1 |
0 |
|
|
198033 |
79033785 |
3 |
FNC5H6 |
ABC5D6 |
-123.59 |
8.16 |
-9.06 |
-0.95 |
0 |
|
|
198034 |
79034320 |
1 |
SN3C12H15 |
AB3C12D15 |
48.44 |
3.62 |
-9.0 |
-0.39 |
0 |
|
|
198035 |
79034665 |
1 |
NO4C14H19 |
AB4C14D19 |
-175.62 |
6.36 |
-9.21 |
0.08 |
0 |
|
|
198036 |
79035072 |
1 |
N2O4C15H18 |
A2B4C15D18 |
-163.41 |
3.99 |
-9.37 |
-0.51 |
0 |
|
|
198037 |
79035073 |
1 |
ClFNO3C15H15 |
ABCD3E15F15 |
-153.79 |
3.67 |
-9.9 |
-1.31 |
0 |
|
|
198038 |
79035074 |
1 |
ClNSO3C15H18 |
ABCD3E15F18 |
-128.09 |
2.68 |
-9.45 |
-1.06 |
0 |
|
|
198039 |
79035075 |
1 |
SN2O4C14H14 |
AB2C4D14E14 |
-103.44 |
5.91 |
-9.59 |
-1.65 |
0 |
|
|
198040 |
79035555 |
1 |
ClNO3H8C10 |
ABC3D8E10 |
7.67 |
4.95 |
-9.84 |
-1.31 |
0 |
|
|
198041 |
79035556 |
1 |
FON4H9C11 |
ABC4D9E11 |
22.58 |
4.31 |
-10.02 |
-1.06 |
0 |
|
|
198042 |
79035937 |
1 |
ClFON3H9C14 |
ABCD3E9F14 |
-1.23 |
3.14 |
-8.82 |
-0.96 |
0 |
|
|
198043 |
79036029 |
1 |
NO2C14H19 |
AB2C14D19 |
-70.09 |
1.8 |
-8.73 |
0.26 |
0 |
|
|
198044 |
79036574 |
1 |
ON5C11H19 |
AB5C11D19 |
11.65 |
5.58 |
-8.94 |
-0.42 |
0 |