List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
21071 |
587096 |
1 |
SO3C7H8 |
AB3C7D8 |
-102.68 |
3.68 |
-9.58 |
-0.97 |
0 |
|
|
21072 |
587097 |
1 |
ClO2N3H10C11 |
AB2C3D10E11 |
21.79 |
8.02 |
-9.37 |
-0.95 |
0 |
|
|
21073 |
587099 |
1 |
ClN2O3F6H15C19 |
AB2C3D6E15F19 |
-402.54 |
6.09 |
-9.52 |
-1.1 |
0 |
|
|
21074 |
587100 |
1 |
ClN2F3O3C20H20 |
AB2C3D3E20F20 |
-255.69 |
6.18 |
-9.26 |
-0.79 |
0 |
|
|
21075 |
587102 |
1 |
ClOSN2H9C13 |
ABCD2E9F13 |
44.23 |
3.07 |
-9.56 |
-1.5 |
0 |
|
|
21076 |
587104 |
1 |
ClN2O2H9C12 |
AB2C2D9E12 |
-25.31 |
4.52 |
-9.02 |
-0.68 |
0 |
|
|
21077 |
587105 |
1 |
ClN2O2H9C12 |
AB2C2D9E12 |
-25.72 |
5.24 |
-9.03 |
-0.72 |
0 |
|
|
21078 |
587106 |
1 |
ClN2O2H9C12 |
AB2C2D9E12 |
-26.08 |
4.53 |
-9.36 |
-0.69 |
0 |
|
|
21079 |
587107 |
1 |
ClNO3H10C14 |
ABC3D10E14 |
-83.02 |
7.6 |
-9.57 |
-1.2 |
0 |
|
|
21080 |
587111 |
1 |
ClOF3N3H9C13 |
ABC3D3E9F13 |
-128.52 |
0.85 |
-9.55 |
-1.03 |
0 |
|
|
21081 |
587116 |
1 |
ClON3H10C13 |
ABC3D10E13 |
65.0 |
2.53 |
-9.66 |
-1.21 |
0 |
|
|
21082 |
587118 |
1 |
ClN2O4H9C13 |
AB2C4D9E13 |
-95.91 |
3.17 |
-10.07 |
-1.09 |
0 |
|
|
21083 |
587122 |
1 |
ClO2N3H16C20 |
AB2C3D16E20 |
-11.91 |
2.2 |
-9.19 |
-0.91 |
0 |
|
|
21084 |
587124 |
2 |
ClNOH7C10 |
ABCD7E10 |
-22.85 |
4.52 |
-8.93 |
-1.02 |
0 |
|
|
21085 |
587125 |
1 |
ClN2F3O3H16C18 |
AB2C3D3E16F18 |
-237.4 |
3.51 |
-9.18 |
-0.9 |
0 |
|
|
21086 |
587126 |
1 |
BrClFO2H7C13 |
ABCD2E7F13 |
-76.58 |
3.61 |
-9.54 |
-1.09 |
0 |
|
|
21087 |
587133 |
1 |
Cl2O2H8C13 |
A2B2C8D13 |
-44.94 |
0.59 |
-9.42 |
-1.2 |
0 |
|
|
21088 |
587144 |
1 |
ClNO5H16C17 |
ABC5D16E17 |
-165.32 |
4.67 |
-8.83 |
-0.97 |
0 |
|
|
21089 |
587154 |
1 |
ClNOH14C19 |
ABCD14E19 |
21.89 |
2.95 |
-8.76 |
-0.83 |
0 |
|
|
21090 |
587160 |
1 |
ClNO3H12C15 |
ABC3D12E15 |
-86.99 |
2.8 |
-9.39 |
-1.08 |
0 |
|
|
21091 |
587164 |
1 |
ClNO2H12C19 |
ABC2D12E19 |
-3.25 |
3.93 |
-8.67 |
-0.95 |
0 |
|
|
21092 |
587170 |
1 |
ClNO3H10C15 |
ABC3D10E15 |
-63.37 |
2.8 |
-9.17 |
-0.86 |
0 |
|
|
21093 |
587171 |
1 |
ClO2N6H15C19 |
AB2C6D15E19 |
18.74 |
4.53 |
-9.14 |
-0.96 |
0 |
|
|
21094 |
587178 |
1 |
ClNO2H6C7 |
ABC2D6E7 |
-33.54 |
2.25 |
-9.77 |
-1.0 |
0 |
|
|
21095 |
587179 |
1 |
ClNO3H12C15 |
ABC3D12E15 |
-85.46 |
5.89 |
-10.07 |
-1.23 |
0 |
|
|
21096 |
587185 |
1 |
ClS2O3C13H13 |
AB2C3D13E13 |
-90.41 |
1.73 |
-9.29 |
-1.1 |
0 |
|
|
21097 |
587186 |
1 |
ClSF3N5O5H23C24 |
ABC3D5E5F23G24 |
-297.43 |
3.59 |
-9.5 |
-1.03 |
0 |
|
|
21098 |
587187 |
1 |
ClSF3N5O6H21C23 |
ABC3D5E6F21G23 |
-298.16 |
5.54 |
-8.81 |
-1.1 |
0 |
|
|
21099 |
587188 |
1 |
ClON2H19C24 |
ABC2D19E24 |
40.18 |
3.66 |
-8.39 |
-0.52 |
0 |
|
|
21100 |
587196 |
1 |
ClN2O3H9C15 |
AB2C3D9E15 |
59.46 |
1.66 |
-9.93 |
-1.77 |
0 |
|
|
21101 |
587197 |
1 |
ClOSN3H8C15 |
ABCD3E8F15 |
124.14 |
2.86 |
-9.13 |
-2.02 |
0 |
|
|
21102 |
587198 |
1 |
ClOSN3F6H14C19 |
ABCD3E6F14G19 |
-286.52 |
5.1 |
-9.41 |
-1.23 |
0 |
|
|
21103 |
587200 |
1 |
ClOSF3H12C20 |
ABCD3E12F20 |
-115.56 |
3.62 |
-9.53 |
-1.75 |
0 |
|
|
21104 |
587207 |
1 |
OSN3C13H13 |
ABC3D13E13 |
82.7 |
2.78 |
-9.18 |
-0.38 |
0 |
|
|
21105 |
587213 |
2 |
BrO2C8H11 |
AB2C8D11 |
-174.7 |
6.32 |
-10.6 |
-0.86 |
0 |
|
|
21106 |
587214 |
1 |
OS2C16H24 |
AB2C16D24 |
-20.91 |
1.57 |
-8.88 |
-0.09 |
0 |
|
|
21107 |
587216 |
1 |
N3O4C7H11 |
A3B4C7D11 |
-133.29 |
2.18 |
-9.28 |
-0.36 |
0 |
|
|
21108 |
587217 |
1 |
OC19H34 |
AB19C34 |
-124.19 |
2.18 |
-9.82 |
3.07 |
0 |
|
|
21109 |
587221 |
1 |
ClN2O3H11C15 |
AB2C3D11E15 |
45.52 |
3.17 |
-9.67 |
-0.94 |
0 |
|
|
21110 |
587222 |
1 |
NCl2O4H9C15 |
AB2C4D9E15 |
-41.79 |
5.24 |
-10.02 |
-1.98 |
0 |
|
|
21111 |
587228 |
1 |
ClNO3H18C19 |
ABC3D18E19 |
-53.65 |
2.09 |
-8.6 |
-0.78 |
0 |
|
|
21112 |
587232 |
1 |
BrOSiC6H15 |
ABCD6E15 |
-117.24 |
1.81 |
-9.81 |
-0.09 |
0 |
|
|
21113 |
587234 |
1 |
GeCl2C3H8 |
AB2C3D8 |
-77.06 |
3.65 |
-10.58 |
-0.79 |
0 |
|
|
21114 |
587238 |
1 |
NSC7H9 |
ABC7D9 |
24.38 |
5.05 |
-8.16 |
-0.67 |
0 |
|
|
21115 |
587271 |
3 |
ClO2C16H19 |
AB2C16D19 |
-263.13 |
4.48 |
-9.37 |
-0.9 |
0 |
|
|
21116 |
587277 |
1 |
ClO3F6H9C17 |
AB3C6D9E17 |
-386.55 |
3.29 |
-10.05 |
-1.57 |
0 |
|
|
21117 |
587278 |
1 |
ClNO3H16C18 |
ABC3D16E18 |
-57.14 |
5.1 |
-8.72 |
-0.76 |
0 |
|
|
21118 |
587285 |
1 |
ClON2H13C20 |
ABC2D13E20 |
65.89 |
3.58 |
-9.11 |
-1.23 |
0 |
|
|
21119 |
587288 |
1 |
ClO3H9C14 |
AB3C9D14 |
-64.0 |
2.69 |
-9.81 |
-1.41 |
0 |
|
|
21120 |
587289 |
1 |
ClNBr2O3C19H20 |
ABC2D3E19F20 |
-62.26 |
1.51 |
-10.11 |
-1.37 |
0 |
|
|
21121 |
587290 |
1 |
ClO3N6H11C12 |
AB3C6D11E12 |
48.85 |
2.65 |
-9.25 |
-0.98 |
0 |
|
|
21122 |
587291 |
1 |
Cl2O3H12C16 |
A2B3C12D16 |
-91.21 |
2.11 |
-9.76 |
-1.0 |
0 |
|
|
21123 |
587292 |
1 |
ClON2H15C21 |
ABC2D15E21 |
51.22 |
4.82 |
-9.25 |
-1.01 |
0 |
|
|
21124 |
587294 |
1 |
ClN2O2F3C17H18 |
AB2C2D3E17F18 |
-218.87 |
5.75 |
-9.81 |
-1.03 |
0 |
|
|
21125 |
587302 |
1 |
ClO3H15C16 |
AB3C15D16 |
-86.07 |
2.98 |
-8.74 |
-0.66 |
0 |
|
|
21126 |
587303 |
1 |
Cl2N3O3H15C16 |
A2B3C3D15E16 |
-26.62 |
6.73 |
-8.98 |
-1.26 |
0 |
|
|
21127 |
587304 |
1 |
ClOSN2H11C16 |
ABCD2E11F16 |
41.19 |
3.97 |
-9.11 |
-0.94 |
0 |
|
|
21128 |
587305 |
1 |
ClNO3H14C22 |
ABC3D14E22 |
-45.3 |
3.46 |
-9.05 |
-1.72 |
0 |
|
|
21129 |
587306 |
1 |
ClNO3C21H24 |
ABC3D21E24 |
-119.57 |
2.71 |
-9.36 |
-1.07 |
0 |
|
|
21130 |
587307 |
1 |
ClO2F3N3H11C16 |
AB2C3D3E11F16 |
-158.41 |
0.44 |
-10.12 |
-1.38 |
0 |
|
|
21131 |
587308 |
1 |
ClFNO4H15C19 |
ABCD4E15F19 |
-147.43 |
6.48 |
-9.65 |
-1.23 |
0 |
|
|
21132 |
587309 |
1 |
NCl2O3H13C18 |
AB2C3D13E18 |
-66.92 |
4.91 |
-9.8 |
-1.18 |
0 |
|
|
21133 |
587310 |
1 |
ClNO5H12C16 |
ABC5D12E16 |
-84.07 |
5.61 |
-10.14 |
-1.83 |
0 |
|
|
21134 |
587311 |
1 |
ClO4C16H17 |
AB4C16D17 |
-153.05 |
1.87 |
-9.96 |
-1.15 |
0 |
|
|
21135 |
587313 |
1 |
ClSO2H9C15 |
ABC2D9E15 |
1.05 |
4.34 |
-9.07 |
-1.64 |
0 |
|
|
21136 |
587314 |
1 |
ClINOH11C14 |
ABCDE11F14 |
4.33 |
3.9 |
-8.93 |
-0.94 |
0 |
|
|
21137 |
587319 |
1 |
N2O2Cl3H11C20 |
A2B2C3D11E20 |
4.7 |
0.54 |
-9.01 |
-1.33 |
0 |
|
|
21138 |
587321 |
1 |
ClO3H11C15 |
AB3C11D15 |
-77.05 |
6.36 |
-9.62 |
-1.15 |
0 |
|
|
21139 |
587323 |
1 |
ClO5H9C15 |
AB5C9D15 |
-155.99 |
4.18 |
-10.21 |
-1.74 |
0 |
|
|
21140 |
587330 |
1 |
ClO2N3H8C10 |
AB2C3D8E10 |
-13.92 |
5.57 |
-10.04 |
-0.98 |
0 |
|
|
21141 |
587331 |
1 |
ClOF3N3H9C13 |
ABC3D3E9F13 |
-132.75 |
3.12 |
-9.6 |
-1.04 |
0 |
|
|
21142 |
587332 |
1 |
NCl2F3O3H8C18 |
AB2C3D3E8F18 |
-208.16 |
0.54 |
-10.11 |
-2.37 |
0 |
|
|
21143 |
587335 |
1 |
ClO2H7C9 |
AB2C7D9 |
-45.88 |
2.7 |
-9.93 |
-1.0 |
0 |
|
|
21144 |
587336 |
1 |
ClOSN2H13C16 |
ABCD2E13F16 |
20.3 |
6.45 |
-8.99 |
-0.95 |
0 |
|
|
21145 |
587337 |
1 |
ClNBr2O2H4C10 |
ABC2D2E4F10 |
3.03 |
3.68 |
-10.3 |
-1.49 |
0 |