List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
207895 |
80465868 |
1 |
ClNSO3C15H18 |
ABCD3E15F18 |
-109.13 |
9.3 |
-9.85 |
-1.17 |
0 |
|
|
207896 |
80465869 |
1 |
ClNSO4C14H16 |
ABCD4E14F16 |
-141.18 |
11.46 |
-9.82 |
-1.01 |
0 |
|
|
207897 |
80465870 |
1 |
ClNSO4C14H16 |
ABCD4E14F16 |
-130.8 |
11.1 |
-9.11 |
-1.11 |
0 |
|
|
207898 |
80466227 |
1 |
NO3C13H21 |
AB3C13D21 |
-141.74 |
2.02 |
-9.9 |
0.51 |
0 |
|
|
207899 |
80466673 |
1 |
SN2C11H18 |
AB2C11D18 |
22.75 |
1.82 |
-8.99 |
-0.38 |
0 |
|
|
207900 |
80466697 |
1 |
IN3C11H16 |
AB3C11D16 |
42.05 |
2.12 |
-9.21 |
-1.01 |
0 |
|
|
207901 |
80466731 |
1 |
IN3C12H18 |
AB3C12D18 |
42.57 |
2.64 |
-8.96 |
-0.93 |
0 |
|
|
207902 |
80466732 |
1 |
IN3C13H20 |
AB3C13D20 |
34.64 |
2.95 |
-8.9 |
-0.88 |
0 |
|
|
207903 |
80466733 |
1 |
ION3C11H16 |
ABC3D11E16 |
19.28 |
2.77 |
-8.97 |
-0.92 |
0 |
|
|
207904 |
80466765 |
1 |
NC14H29 |
AB14C29 |
-37.61 |
1.84 |
-8.77 |
2.66 |
0 |
|
|
207905 |
80466766 |
1 |
NC16H25 |
AB16C25 |
2.96 |
1.15 |
-8.73 |
0.66 |
0 |
|
|
207906 |
80467307 |
1 |
ON3C15H19 |
AB3C15D19 |
-2.35 |
3.79 |
-8.82 |
-0.39 |
0 |
|
|
207907 |
80467896 |
1 |
FNO2C17H18 |
ABC2D17E18 |
-54.29 |
3.56 |
-9.55 |
-0.62 |
0 |
|
|
207908 |
80468021 |
1 |
NSO2C13H17 |
ABC2D13E17 |
-54.74 |
4.72 |
-9.35 |
-0.51 |
0 |
|
|
207909 |
80468455 |
1 |
ON2C13H18 |
AB2C13D18 |
11.5 |
0.54 |
-9.84 |
0.7 |
0 |
|
|
207910 |
80468806 |
1 |
NO2C9H15 |
AB2C9D15 |
-84.53 |
3.37 |
-9.93 |
0.94 |
0 |
|
|
207911 |
80468807 |
1 |
NO2C10H17 |
AB2C10D17 |
-93.33 |
3.01 |
-9.76 |
1.13 |
0 |
|
|
207912 |
80469584 |
1 |
NOC15H21 |
ABC15D21 |
-13.51 |
2.16 |
-8.85 |
0.28 |
0 |
|
|
207913 |
80471054 |
1 |
NOC15H29 |
ABC15D29 |
-62.7 |
1.21 |
-8.74 |
2.41 |
0 |
|
|
207914 |
80471055 |
1 |
FNC17H24 |
ABC17D24 |
-30.05 |
1.17 |
-8.84 |
0.06 |
0 |
|
|
207915 |
80471068 |
4 |
NC4H7 |
AB4C7 |
27.3 |
3.35 |
-9.04 |
0.48 |
0 |
|
|
207916 |
80471069 |
1 |
SN2C15H24 |
AB2C15D24 |
18.53 |
2.5 |
-8.85 |
-0.36 |
0 |
|
|
207917 |
80471070 |
1 |
BrFNC17H23 |
ABCD17E23 |
-27.42 |
2.3 |
-9.04 |
-0.32 |
0 |
|
|
207918 |
80471071 |
1 |
NC17H31 |
AB17C31 |
-31.34 |
1.71 |
-8.72 |
2.77 |
0 |
|
|
207919 |
80471072 |
1 |
NOC15H27 |
ABC15D27 |
-60.35 |
2.85 |
-8.45 |
2.24 |
0 |
|
|
207920 |
80471073 |
1 |
BrFNC17H23 |
ABCD17E23 |
-30.62 |
3.55 |
-9.04 |
-0.38 |
0 |
|
|
207921 |
80471074 |
1 |
BrNC17H24 |
ABC17D24 |
17.2 |
2.65 |
-8.95 |
-0.06 |
0 |
|
|
207922 |
80471075 |
1 |
NOC17H25 |
ABC17D25 |
-29.92 |
3.0 |
-8.62 |
0.36 |
0 |
|
|
207923 |
80471204 |
1 |
ClNOC13H14 |
ABCD13E14 |
-12.86 |
5.31 |
-9.01 |
-0.3 |
0 |
|
|
207924 |
80471850 |
1 |
ClNC18H26 |
ABC18D26 |
0.95 |
2.47 |
-8.73 |
-0.12 |
0 |
|
|
207925 |
80471851 |
1 |
NSC16H25 |
ABC16D25 |
15.13 |
1.28 |
-8.8 |
-0.07 |
0 |
|
|
207926 |
80471852 |
1 |
BrFNC18H25 |
ABCD18E25 |
-33.3 |
2.32 |
-9.01 |
-0.32 |
0 |
|
|
207927 |
80472137 |
1 |
ON2C18H26 |
AB2C18D26 |
-20.24 |
3.68 |
-8.36 |
1.03 |
0 |
|
|
207928 |
80472357 |
1 |
NOC11H19 |
ABC11D19 |
-46.97 |
3.97 |
-9.26 |
1.14 |
0 |
|
|
207929 |
80472358 |
1 |
ClFNOC13H13 |
ABCDE13F13 |
-65.85 |
3.17 |
-9.12 |
-0.56 |
0 |
|
|
207930 |
80472359 |
1 |
ON3C13H19 |
AB3C13D19 |
-6.22 |
5.65 |
-9.38 |
0.62 |
0 |
|
|
207931 |
80472360 |
1 |
NOC11H17 |
ABC11D17 |
-24.07 |
3.5 |
-9.8 |
1.15 |
0 |
|
|
207932 |
80472361 |
1 |
ON2C13H24 |
AB2C13D24 |
-51.06 |
4.12 |
-8.91 |
1.32 |
0 |
|
|
207933 |
80472362 |
1 |
ClNO2C15H18 |
ABC2D15E18 |
-68.45 |
4.12 |
-8.45 |
-0.21 |
0 |
|
|
207934 |
80472363 |
1 |
NO2C11H19 |
AB2C11D19 |
-88.07 |
3.29 |
-9.75 |
1.22 |
0 |
|
|
207935 |
80472364 |
1 |
NO2C16H21 |
AB2C16D21 |
-59.05 |
1.91 |
-8.66 |
0.25 |
0 |
|
|
207936 |
80472365 |
1 |
NO2F3C14H14 |
AB2C3D14E14 |
-213.91 |
1.02 |
-9.21 |
-0.64 |
0 |
|
|
207937 |
80472635 |
1 |
ON2C16H26 |
AB2C16D26 |
-46.99 |
3.71 |
-8.79 |
1.1 |
0 |
|
|
207938 |
80472644 |
1 |
SN3C13H19 |
AB3C13D19 |
73.99 |
2.29 |
-9.18 |
-0.77 |
0 |
|
|
207939 |
80472776 |
1 |
NO3C13H17 |
AB3C13D17 |
-89.1 |
2.57 |
-9.8 |
-0.6 |
0 |
|
|
207940 |
80472858 |
1 |
ON3C11H17 |
AB3C11D17 |
5.34 |
4.9 |
-9.99 |
0.27 |
0 |
|
|
207941 |
80472859 |
1 |
ClSC13H17 |
ABC13D17 |
12.24 |
1.63 |
-9.04 |
-0.03 |
0 |
|
|
207942 |
80473013 |
2 |
OC5H9 |
AB5C9 |
-87.97 |
2.51 |
-9.92 |
1.98 |
0 |
|
|
207943 |
80473014 |
1 |
OC11H20 |
AB11C20 |
-61.86 |
2.31 |
-10.2 |
2.62 |
0 |
|
|
207944 |
80473142 |
1 |
ClNSC11H14 |
ABCD11E14 |
25.18 |
2.42 |
-9.54 |
-0.52 |
0 |