List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
285025 |
104091250 |
1 |
NO2C12H21 |
AB2C12D21 |
-57.33 |
2.28 |
-8.67 |
1.71 |
0 |
|
|
285026 |
104091273 |
1 |
ON3C8H11 |
AB3C8D11 |
40.46 |
2.34 |
-10.48 |
-0.14 |
0 |
|
|
285027 |
104091710 |
1 |
BrNSC13H18 |
ABCD13E18 |
58.9 |
1.23 |
-9.28 |
-0.59 |
0 |
|
|
285028 |
104091711 |
1 |
NOC10H19 |
ABC10D19 |
-32.19 |
2.14 |
-9.4 |
1.77 |
0 |
|
|
285029 |
104091801 |
2 |
N2C5H8 |
A2B5C8 |
72.77 |
4.03 |
-9.66 |
0.15 |
0 |
|
|
285030 |
104091802 |
1 |
N4C11H18 |
A4B11C18 |
79.42 |
2.7 |
-9.6 |
0.18 |
0 |
|
|
285031 |
104091932 |
2 |
NC8H15 |
AB8C15 |
16.51 |
2.11 |
-8.38 |
1.91 |
0 |
|
|
285032 |
104092004 |
1 |
NC13H25 |
AB13C25 |
-8.06 |
2.64 |
-8.77 |
1.97 |
0 |
|
|
285033 |
104092005 |
1 |
NO2C9H17 |
AB2C9D17 |
-60.87 |
2.49 |
-9.59 |
1.72 |
0 |
|
|
285034 |
104092006 |
1 |
NO2C10H19 |
AB2C10D19 |
-60.89 |
0.9 |
-9.08 |
1.67 |
0 |
|
|
285035 |
104092307 |
1 |
NOC11H13 |
ABC11D13 |
18.24 |
4.81 |
-9.36 |
-0.43 |
0 |
|
|
285036 |
104092308 |
1 |
NO2C11H13 |
AB2C11D13 |
-16.69 |
2.97 |
-9.31 |
-0.4 |
0 |
|
|
285037 |
104092427 |
2 |
OC7H8 |
AB7C8 |
-44.52 |
3.4 |
-8.44 |
0.08 |
0 |
|
|
285038 |
104092567 |
1 |
NO3C14H17 |
AB3C14D17 |
-39.39 |
1.7 |
-8.29 |
-0.11 |
0 |
|
|
285039 |
104092610 |
1 |
ClNSO2H12C13 |
ABCD2E12F13 |
-16.13 |
9.43 |
-9.53 |
-0.93 |
0 |
|
|
285040 |
104092708 |
1 |
OSC12H14 |
ABC12D14 |
29.96 |
1.64 |
-8.7 |
-0.18 |
0 |
|
|
285041 |
104092711 |
2 |
BrOC6H6 |
ABC6D6 |
-12.56 |
1.1 |
-8.61 |
-0.63 |
0 |
|
|
285042 |
104092712 |
1 |
NO3C12H13 |
AB3C12D13 |
22.35 |
7.07 |
-9.53 |
-1.12 |
0 |
|
|
285043 |
104092714 |
1 |
N2O2C11H16 |
A2B2C11D16 |
-33.23 |
6.85 |
-9.64 |
0.07 |
0 |
|
|
285044 |
104092725 |
1 |
NO2C14H15 |
AB2C14D15 |
-11.53 |
1.63 |
-8.66 |
-0.3 |
0 |
|
|
285045 |
104092925 |
1 |
ON3C15H19 |
AB3C15D19 |
10.27 |
3.09 |
-9.41 |
-0.48 |
0 |
|
|
285046 |
104092927 |
1 |
ON4C14H14 |
AB4C14D14 |
58.49 |
4.43 |
-9.5 |
-1.27 |
0 |
|
|
285047 |
104093117 |
1 |
O3N4C14H16 |
A3B4C14D16 |
-41.86 |
4.73 |
-9.4 |
-0.67 |
0 |
|
|
285048 |
104093123 |
1 |
SO2N4C14H18 |
AB2C4D14E18 |
-11.16 |
4.87 |
-9.36 |
-0.49 |
0 |
|
|
285049 |
104093182 |
1 |
ON3C16H23 |
AB3C16D23 |
0.08 |
5.83 |
-9.54 |
-0.1 |
0 |
|
|
285050 |
104093447 |
1 |
O2N5C12H19 |
A2B5C12D19 |
8.39 |
4.67 |
-10.02 |
-0.81 |
0 |
|
|
285051 |
104093453 |
1 |
O2N4C11H20 |
A2B4C11D20 |
-66.62 |
6.15 |
-9.88 |
0.1 |
0 |
|
|
285052 |
104093474 |
1 |
O2N3C15H19 |
A2B3C15D19 |
-22.06 |
3.76 |
-8.85 |
-0.06 |
0 |
|
|
285053 |
104093622 |
1 |
O4N5C11H19 |
A4B5C11D19 |
-129.26 |
3.8 |
-10.1 |
-0.56 |
0 |
|
|
285054 |
104093752 |
1 |
BrCl2N3H10C11 |
AB2C3D10E11 |
59.15 |
2.95 |
-9.78 |
-1.27 |
0 |
|
|
285055 |
104093755 |
1 |
BrClN3C12H13 |
ABC3D12E13 |
54.99 |
2.91 |
-9.45 |
-0.92 |
0 |
|
|
285056 |
104093759 |
1 |
BrClF3N3H10C12 |
ABC3D3E10F12 |
-92.53 |
4.09 |
-9.84 |
-1.6 |
0 |
|
|
285057 |
104094067 |
1 |
ClN6C9H13 |
AB6C9D13 |
85.32 |
2.26 |
-10.2 |
-0.48 |
0 |
|
|
285058 |
104094068 |
1 |
ClON4C13H17 |
ABC4D13E17 |
12.75 |
2.49 |
-9.83 |
-0.44 |
0 |
|
|
285059 |
104094073 |
1 |
ClO3N4C13H15 |
AB3C4D13E15 |
18.68 |
7.51 |
-10.04 |
-1.42 |
0 |
|
|
285060 |
104094303 |
1 |
BrNO2C12H12 |
ABC2D12E12 |
-10.34 |
5.25 |
-9.63 |
-0.78 |
0 |
|
|
285061 |
104094332 |
1 |
SN5C9H15 |
AB5C9D15 |
122.97 |
5.33 |
-9.34 |
-0.56 |
0 |
|
|
285062 |
104094498 |
4 |
NC3H5 |
AB3C5 |
62.43 |
3.85 |
-8.75 |
0.32 |
0 |
|
|
285063 |
104094637 |
1 |
SO2C10H14 |
AB2C10D14 |
-69.73 |
5.08 |
-9.48 |
-0.26 |
0 |
|
|
285064 |
104094638 |
1 |
NOC12H21 |
ABC12D21 |
-27.83 |
2.04 |
-9.05 |
1.84 |
0 |
|
|
285065 |
104095016 |
1 |
NO4C11H13 |
AB4C11D13 |
-153.6 |
1.91 |
-9.39 |
-0.99 |
0 |
|
|
285066 |
104095152 |
1 |
NO4C12H23 |
AB4C12D23 |
-212.36 |
4.56 |
-9.82 |
0.54 |
0 |
|
|
285067 |
104095343 |
1 |
SN2O2C7H14 |
AB2C2D7E14 |
-83.01 |
4.21 |
-8.66 |
-0.37 |
0 |
|
|
285068 |
104095449 |
1 |
OSN3C6H11 |
ABC3D6E11 |
-4.39 |
4.9 |
-8.46 |
-0.12 |
0 |
|
|
285069 |
104095628 |
2 |
NOC6H13 |
ABC6D13 |
-115.09 |
5.69 |
-9.12 |
1.22 |
0 |
|
|
285070 |
104095629 |
2 |
NOC4H8 |
ABC4D8 |
-98.2 |
3.65 |
-9.25 |
0.87 |
0 |
|
|
285071 |
104095630 |
2 |
NOC4H8 |
ABC4D8 |
-98.23 |
1.47 |
-9.3 |
0.94 |
0 |
|
|
285072 |
104095631 |
2 |
NOC6H12 |
ABC6D12 |
-115.79 |
3.38 |
-9.14 |
1.09 |
0 |
|
|
285073 |
104095839 |
1 |
O2N3C8H15 |
A2B3C8D15 |
-33.19 |
2.91 |
-9.56 |
-0.34 |
0 |
|
|
285074 |
104096050 |
1 |
NO2C13H19 |
AB2C13D19 |
-88.29 |
3.48 |
-9.28 |
0.22 |
0 |
|
|
285075 |
104096574 |
1 |
BrNO2C9H12 |
ABC2D9E12 |
-70.83 |
3.55 |
-8.98 |
-0.5 |
0 |
|
|
285076 |
104096605 |
1 |
NO5C11H13 |
AB5C11D13 |
-93.22 |
4.01 |
-9.91 |
-1.84 |
0 |
|
|
285077 |
104096609 |
1 |
N3O3C8H13 |
A3B3C8D13 |
-76.73 |
6.32 |
-10.26 |
-0.01 |
0 |
|
|
285078 |
104096642 |
1 |
NO5C15H21 |
AB5C15D21 |
-200.29 |
5.2 |
-8.81 |
-0.04 |
0 |
|
|
285079 |
104096654 |
1 |
ClFNO4H9C14 |
ABCD4E9F14 |
-74.09 |
2.44 |
-9.79 |
-1.82 |
0 |
|
|
285080 |
104096721 |
4 |
NC4H6 |
AB4C6 |
53.36 |
5.02 |
-9.22 |
0.19 |
0 |
|
|
285081 |
104096936 |
1 |
SN2O4C12H14 |
AB2C4D12E14 |
-59.18 |
4.45 |
-8.83 |
-1.57 |
0 |
|
|
285082 |
104097057 |
1 |
N2O5C13H18 |
A2B5C13D18 |
-137.08 |
8.41 |
-8.98 |
-1.41 |
0 |
|
|
285083 |
104097115 |
1 |
SO2C6H14 |
AB2C6D14 |
-103.73 |
2.62 |
-8.94 |
0.34 |
0 |
|
|
285084 |
104097126 |
1 |
N3O3C11H15 |
A3B3C11D15 |
-78.8 |
4.0 |
-9.44 |
-1.06 |
0 |
|
|
285085 |
104097156 |
1 |
N3O3C11H17 |
A3B3C11D17 |
-98.21 |
1.95 |
-9.2 |
-0.97 |
0 |
|
|
285086 |
104097157 |
1 |
N2O5C14H20 |
A2B5C14D20 |
-142.29 |
8.28 |
-8.97 |
-1.4 |
0 |
|
|
285087 |
104097220 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-89.48 |
4.73 |
-9.05 |
-0.82 |
0 |
|
|
285088 |
104097226 |
1 |
N2F3O3H11C12 |
A2B3C3D11E12 |
-165.09 |
4.9 |
-9.28 |
-1.45 |
0 |
|
|
285089 |
104097231 |
1 |
N2O5C13H18 |
A2B5C13D18 |
-134.83 |
5.85 |
-9.26 |
-1.66 |
0 |
|
|
285090 |
104097288 |
1 |
BrNO2C9H12 |
ABC2D9E12 |
-61.24 |
3.24 |
-9.31 |
-0.59 |
0 |
|
|
285091 |
104097414 |
1 |
SN2O2C10H16 |
AB2C2D10E16 |
-0.22 |
6.63 |
-9.52 |
-1.56 |
0 |
|
|
285092 |
104097727 |
1 |
SO2N3C13H19 |
AB2C3D13E19 |
14.73 |
8.17 |
-8.88 |
-1.47 |
0 |
|
|
285093 |
104097728 |
1 |
ClSN2O2C14H15 |
ABC2D2E14F15 |
23.58 |
7.65 |
-9.5 |
-1.59 |
0 |
|
|
285094 |
104097735 |
1 |
SN3O3C14H17 |
AB3C3D14E17 |
-1.94 |
6.98 |
-9.34 |
-1.48 |
0 |
|
|
285095 |
104097827 |
1 |
SN2O4C14H14 |
AB2C4D14E14 |
-29.04 |
7.09 |
-8.43 |
-1.66 |
0 |
|
|
285096 |
104097828 |
1 |
SN2O2C14H16 |
AB2C2D14E16 |
28.46 |
4.86 |
-8.64 |
-1.79 |
0 |
|
|
285097 |
104097872 |
1 |
SN3O3C9H13 |
AB3C3D9E13 |
-27.67 |
8.01 |
-9.39 |
-1.5 |
0 |
|
|
285098 |
104097887 |
1 |
N2O4C15H18 |
A2B4C15D18 |
-41.83 |
6.71 |
-9.08 |
-1.53 |
0 |
|
|
285099 |
104097911 |
1 |
SN2O2C14H14 |
AB2C2D14E14 |
64.48 |
6.02 |
-9.54 |
-1.64 |
0 |