List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
22050 |
595903 |
1 |
SO3C12H14 |
AB3C12D14 |
-93.7 |
2.95 |
-9.29 |
-0.82 |
0 |
|
|
22051 |
595904 |
2 |
O2C10H11 |
A2B10C11 |
-129.81 |
0.17 |
-9.71 |
0.09 |
0 |
|
|
22052 |
595905 |
1 |
N3O3C10H13 |
A3B3C10D13 |
-66.4 |
6.36 |
-8.6 |
-0.26 |
0 |
|
|
22053 |
595906 |
1 |
SN3H5C7 |
AB3C5D7 |
86.39 |
6.31 |
-9.35 |
-1.67 |
0 |
|
|
22054 |
595907 |
1 |
O2F5H13C17 |
A2B5C13D17 |
-272.02 |
1.92 |
-9.48 |
-1.41 |
0 |
|
|
22055 |
595910 |
1 |
N5C7H9 |
A5B7C9 |
85.5 |
2.54 |
-9.36 |
-0.52 |
0 |
|
|
22056 |
595912 |
1 |
O3C14H20 |
A3B14C20 |
-101.34 |
4.75 |
-9.61 |
0.58 |
0 |
|
|
22057 |
595913 |
1 |
ClN6H13C14 |
AB6C13D14 |
148.65 |
4.73 |
-9.13 |
-1.37 |
0 |
|
|
22058 |
595919 |
1 |
FN5C14H16 |
AB5C14D16 |
53.58 |
8.9 |
-8.51 |
-0.84 |
0 |
|
|
22059 |
595920 |
1 |
N2O3C14H16 |
A2B3C14D16 |
-69.56 |
2.75 |
-9.05 |
-0.73 |
0 |
|
|
22060 |
595925 |
1 |
ClN2H3O3C7 |
AB2C3D3E7 |
29.65 |
1.51 |
-9.76 |
-2.3 |
0 |
|
|
22061 |
595926 |
1 |
OSiC12H18 |
ABC12D18 |
-74.32 |
1.4 |
-9.15 |
0.22 |
0 |
|
|
22062 |
595927 |
2 |
ON2C11H14 |
AB2C11D14 |
-21.2 |
2.57 |
-8.12 |
-0.36 |
0 |
|
|
22063 |
595928 |
2 |
OC5H6 |
AB5C6 |
-67.22 |
1.87 |
-9.62 |
0.2 |
0 |
|
|
22064 |
595929 |
1 |
NO3H9C10 |
AB3C9D10 |
-50.36 |
3.33 |
-9.91 |
-1.44 |
0 |
|
|
22065 |
595933 |
1 |
ON3C8H9 |
AB3C8D9 |
-2.06 |
3.93 |
-9.41 |
-0.73 |
0 |
|
|
22066 |
595934 |
1 |
NO3C9H11 |
AB3C9D11 |
-114.86 |
4.66 |
-8.81 |
-0.02 |
0 |
|
|
22067 |
595935 |
1 |
N2C13H22 |
A2B13C22 |
22.2 |
4.27 |
-9.33 |
0.6 |
0 |
|
|
22068 |
595936 |
1 |
N2O3C11H14 |
A2B3C11D14 |
-122.02 |
1.58 |
-9.02 |
0.01 |
0 |
|
|
22069 |
595937 |
1 |
SiO2C16H28 |
AB2C16D28 |
-194.1 |
3.46 |
-9.95 |
0.76 |
0 |
|
|
22070 |
595938 |
1 |
C13H22 |
A13B22 |
-54.22 |
0.14 |
-9.94 |
3.88 |
0 |
|
|
22071 |
595939 |
1 |
NO2C12H19 |
AB2C12D19 |
-58.63 |
5.41 |
-10.42 |
-0.24 |
0 |
|
|
22072 |
595940 |
1 |
C13H22 |
A13B22 |
-53.0 |
0.12 |
-9.97 |
3.89 |
0 |
|
|
22073 |
595942 |
1 |
NO2C15H23 |
AB2C15D23 |
-85.03 |
2.22 |
-8.52 |
0.37 |
0 |
|
|
22074 |
595943 |
1 |
N2O2C9H12 |
A2B2C9D12 |
-72.88 |
3.76 |
-9.27 |
-0.28 |
0 |
|
|
22075 |
595946 |
1 |
NSC13H19 |
ABC13D19 |
-14.68 |
6.36 |
-8.75 |
0.46 |
0 |
|
|
22076 |
595948 |
1 |
FCl2O2S2H3N4C9 |
AB2C2D2E3F4G9 |
48.82 |
2.82 |
-9.23 |
-2.74 |
0 |
|
|
22077 |
595949 |
1 |
OSeN2C9H12 |
ABC2D9E12 |
2.94 |
3.4 |
-8.28 |
-0.27 |
0 |
|
|
22078 |
595950 |
1 |
O3N6C17H20 |
A3B6C17D20 |
20.53 |
2.66 |
-8.58 |
-1.3 |
0 |
|
|
22079 |
595951 |
1 |
FN2O4C17H17 |
AB2C4D17E17 |
-114.73 |
5.21 |
-9.01 |
-0.9 |
0 |
|
|
22080 |
595952 |
1 |
N2O2H24C25 |
A2B2C24D25 |
29.71 |
4.81 |
-8.96 |
-0.02 |
0 |
|
|
22081 |
595953 |
1 |
NO2C9H9 |
AB2C9D9 |
26.09 |
5.95 |
-10.38 |
-1.3 |
0 |
|
|
22082 |
595955 |
1 |
O2N3H5C7 |
A2B3C5D7 |
53.33 |
9.11 |
-9.52 |
-1.41 |
0 |
|
|
22083 |
595956 |
1 |
N2O2H14C15 |
A2B2C14D15 |
59.53 |
6.47 |
-9.61 |
-1.57 |
0 |
|
|
22084 |
595960 |
1 |
BrO2C11H13 |
AB2C11D13 |
-70.32 |
1.17 |
-9.4 |
-0.21 |
0 |
|
|
22085 |
595962 |
1 |
NCl2O3H17C18 |
AB2C3D17E18 |
-63.23 |
4.62 |
-9.33 |
-0.73 |
0 |
|
|
22086 |
595965 |
1 |
SO2N3C16H21 |
AB2C3D16E21 |
-43.93 |
8.05 |
-7.67 |
-0.22 |
0 |
|
|
22087 |
595966 |
1 |
O3C14H20 |
A3B14C20 |
-148.6 |
4.1 |
-9.82 |
-0.11 |
0 |
|
|
22088 |
595967 |
1 |
O3C15H22 |
A3B15C22 |
-156.65 |
3.97 |
-9.79 |
-0.08 |
0 |
|
|
22089 |
595968 |
1 |
SN2O2C16H20 |
AB2C2D16E20 |
-27.33 |
5.56 |
-9.21 |
-0.49 |
0 |
|
|
22090 |
595979 |
1 |
SN3O4C15H15 |
AB3C4D15E15 |
-10.62 |
5.14 |
-9.42 |
-1.9 |
0 |
|
|
22091 |
595981 |
1 |
NO4C17H17 |
AB4C17D17 |
-131.95 |
2.34 |
-9.15 |
-0.94 |
0 |
|
|
22092 |
595982 |
2 |
O4C12H15 |
A4B12C15 |
-331.62 |
5.12 |
-9.86 |
-0.4 |
0 |
|
|
22093 |
595985 |
1 |
O5C17H22 |
A5B17C22 |
-208.22 |
5.23 |
-10.04 |
-0.94 |
0 |
|
|
22094 |
595995 |
1 |
O4H10C11 |
A4B10C11 |
-121.38 |
1.01 |
-10.24 |
-1.48 |
0 |
|
|
22095 |
595999 |
1 |
BrSC10H11 |
ABC10D11 |
39.18 |
2.8 |
-8.75 |
-0.27 |
0 |
|
|
22096 |
596000 |
1 |
O2C21H28 |
A2B21C28 |
-111.48 |
1.71 |
-9.54 |
0.22 |
0 |
|
|
22097 |
596002 |
1 |
N2C11H18 |
A2B11C18 |
-5.48 |
3.7 |
-8.49 |
0.55 |
0 |
|
|
22098 |
596003 |
1 |
O2C11H14 |
A2B11C14 |
-67.5 |
4.33 |
-9.67 |
-0.48 |
0 |
|
|
22099 |
596004 |
1 |
N2O3C9H10 |
A2B3C9D10 |
-81.79 |
1.78 |
-10.36 |
-1.23 |
0 |
|
|
22100 |
596005 |
2 |
OSN3C7H7 |
ABC3D7E7 |
51.82 |
5.0 |
-8.75 |
-2.04 |
0 |
|
|
22101 |
596006 |
1 |
ON2C10H14 |
AB2C10D14 |
-19.56 |
4.08 |
-9.89 |
-1.09 |
0 |
|
|
22102 |
596007 |
1 |
NO5C11H11 |
AB5C11D11 |
-98.54 |
4.57 |
-9.96 |
-1.24 |
0 |
|
|
22103 |
596008 |
1 |
BO5C13H17 |
AB5C13D17 |
-254.98 |
3.68 |
-8.93 |
-0.35 |
0 |
|
|
22104 |
596009 |
1 |
SF3N3O3H10C15 |
AB3C3D3E10F15 |
-125.67 |
4.13 |
-8.85 |
-2.0 |
0 |
|
|
22105 |
596010 |
1 |
O2C21H30 |
A2B21C30 |
-115.77 |
6.51 |
-9.87 |
-0.69 |
0 |
|
|
22106 |
596011 |
1 |
O3C18H26 |
A3B18C26 |
-149.63 |
4.36 |
-9.35 |
-0.48 |
0 |
|
|
22107 |
596012 |
1 |
O3C10H10 |
A3B10C10 |
-89.72 |
4.79 |
-9.03 |
-0.78 |
0 |
|
|
22108 |
596013 |
1 |
ClN2O3H15C16 |
AB2C3D15E16 |
-44.24 |
4.24 |
-8.39 |
-0.67 |
0 |
|
|
22109 |
596014 |
1 |
SN4H14C17 |
AB4C14D17 |
96.14 |
2.89 |
-8.91 |
-1.22 |
0 |
|
|
22110 |
596016 |
1 |
O3N5C19H21 |
A3B5C19D21 |
4.22 |
3.38 |
-8.59 |
-0.79 |
0 |
|
|
22111 |
596017 |
1 |
N2O3H12C15 |
A2B3C12D15 |
-60.72 |
4.09 |
-9.29 |
-1.04 |
0 |
|
|
22112 |
596018 |
1 |
O2N3C16H17 |
A2B3C16D17 |
2.48 |
5.44 |
-7.88 |
-0.62 |
0 |
|
|
22113 |
596019 |
1 |
ON3C8H9 |
AB3C8D9 |
0.59 |
2.73 |
-9.88 |
-0.8 |
0 |
|
|
22114 |
596020 |
1 |
O3N7C23H29 |
A3B7C23D29 |
-10.16 |
7.02 |
-8.03 |
-0.62 |
0 |
|
|
22115 |
596021 |
1 |
NOC10H13 |
ABC10D13 |
-35.12 |
2.67 |
-7.89 |
0.3 |
0 |
|
|
22116 |
596022 |
1 |
NOC10H13 |
ABC10D13 |
-19.61 |
1.59 |
-8.46 |
0.37 |
0 |
|
|
22117 |
596023 |
1 |
NOC10H13 |
ABC10D13 |
-15.43 |
0.86 |
-8.45 |
0.42 |
0 |
|
|
22118 |
596024 |
1 |
BrO3N4C13H13 |
AB3C4D13E13 |
-3.63 |
3.58 |
-8.46 |
-0.93 |
0 |
|
|
22119 |
596026 |
1 |
O4C11H12 |
A4B11C12 |
-153.42 |
7.77 |
-9.62 |
-0.91 |
0 |
|
|
22120 |
596030 |
1 |
NS2O3C17H17 |
AB2C3D17E17 |
-17.11 |
8.65 |
-9.08 |
-1.17 |
0 |
|
|
22121 |
596037 |
1 |
O5C13H14 |
A5B13C14 |
-188.05 |
2.77 |
-10.4 |
-0.91 |
0 |
|
|
22122 |
596038 |
1 |
N3O3H17C18 |
A3B3C17D18 |
-24.63 |
1.07 |
-8.38 |
-0.93 |
0 |
|
|
22123 |
596039 |
1 |
OSnC8H16 |
ABC8D16 |
-47.5 |
3.81 |
-9.56 |
0.84 |
0 |
|
|
22124 |
596040 |
1 |
N3O4C11H11 |
A3B4C11D11 |
-145.27 |
7.05 |
-9.26 |
-0.86 |
0 |
|
|
22125 |
596041 |
1 |
NC11H17 |
AB11C17 |
10.94 |
1.74 |
-8.18 |
1.4 |
0 |
|
|
22126 |
596058 |
2 |
OC5H6 |
AB5C6 |
-62.18 |
4.15 |
-9.05 |
-0.38 |
0 |
|
|
22127 |
596059 |
6 |
NOC3H4 |
ABC3D4 |
-201.68 |
3.41 |
-8.53 |
-0.32 |
0 |
|
|
22128 |
596060 |
1 |
F4H4C7 |
A4B4C7 |
-164.77 |
3.19 |
-10.11 |
-0.82 |
0 |
|
|
22129 |
596061 |
2 |
OC5H6 |
AB5C6 |
-42.46 |
4.94 |
-9.94 |
-0.27 |
0 |
|
|
22130 |
596062 |
2 |
OC5H6 |
AB5C6 |
-77.43 |
5.3 |
-9.49 |
-0.03 |
0 |
|
|
22131 |
596063 |
1 |
O3C20H30 |
A3B20C30 |
-137.38 |
2.75 |
-9.77 |
0.44 |
0 |
|
|
22132 |
596064 |
1 |
NO4C11H13 |
AB4C11D13 |
-151.9 |
3.15 |
-8.6 |
-0.52 |
0 |
|
|
22133 |
596066 |
3 |
NOC5H5 |
ABC5D5 |
-29.29 |
6.56 |
-8.54 |
-0.69 |
0 |
|
|
22134 |
596067 |
1 |
FO3H15C17 |
AB3C15D17 |
-117.86 |
4.6 |
-9.08 |
-0.72 |
0 |
|
|
22135 |
596069 |
1 |
BrSiC5H11 |
ABC5D11 |
-26.26 |
2.94 |
-9.74 |
0.24 |
0 |
|
|
22136 |
596070 |
1 |
Cl4C7H10 |
A4B7C10 |
-39.24 |
2.63 |
-10.37 |
-0.59 |
0 |
|
|
22137 |
596071 |
1 |
O2S2Cl3H3N4C9 |
A2B2C3D3E4F9 |
84.79 |
1.92 |
-9.24 |
-2.77 |
0 |
|
|
22138 |
596075 |
1 |
ClOF2N2C19H27 |
ABC2D2E19F27 |
-165.21 |
6.17 |
-9.11 |
-0.59 |
0 |
|
|
22139 |
596077 |
1 |
ClOH7C10 |
ABC7D10 |
27.02 |
3.2 |
-9.69 |
-1.13 |
0 |
|
|
22140 |
596078 |
1 |
Cl2O2S2F3H3N4C10 |
A2B2C2D3E3F4G10 |
-43.82 |
3.89 |
-9.44 |
-2.66 |
0 |
|
|
22141 |
596079 |
1 |
OCl2N2H6C10 |
AB2C2D6E10 |
14.09 |
3.9 |
-10.12 |
-1.97 |
0 |
|
|
22142 |
596080 |
1 |
ClOF2N2H15C20 |
ABC2D2E15F20 |
-68.11 |
5.51 |
-9.19 |
-0.66 |
0 |
|
|
22143 |
596082 |
1 |
OC31H50 |
AB31C50 |
-117.05 |
3.24 |
-9.33 |
0.33 |
0 |
|
|
22144 |
596087 |
1 |
O2C11H14 |
A2B11C14 |
-86.46 |
2.8 |
-8.84 |
-0.15 |
0 |
|
|
22145 |
596088 |
1 |
ClO3C10H11 |
AB3C10D11 |
-108.23 |
5.81 |
-8.6 |
-0.41 |
0 |
|
|
22146 |
596089 |
2 |
OC7H10 |
AB7C10 |
-97.36 |
2.17 |
-8.95 |
0.19 |
0 |
|
|
22147 |
596090 |
2 |
OC7H10 |
AB7C10 |
-101.47 |
1.84 |
-9.01 |
0.19 |
0 |
|
|
22148 |
596093 |
1 |
N4O5C14H18 |
A4B5C14D18 |
-85.79 |
10.66 |
-8.7 |
-1.04 |
0 |
|
|
22149 |
596095 |
1 |
N2O2F3C7H7 |
A2B2C3D7E7 |
-207.34 |
2.07 |
-10.97 |
-1.08 |
0 |