List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
239101 |
93165984 |
1 |
SN3O3C19H27 |
AB3C3D19E27 |
-81.49 |
2.92 |
-8.98 |
-0.78 |
0 |
|
|
239102 |
93165985 |
1 |
SN3O3C24H29 |
AB3C3D24E29 |
-58.99 |
3.95 |
-8.25 |
-0.9 |
0 |
|
|
239103 |
93165986 |
1 |
SN3O3C24H29 |
AB3C3D24E29 |
-57.88 |
4.16 |
-8.31 |
-0.83 |
0 |
|
|
239104 |
93165987 |
1 |
SN3O3C21H31 |
AB3C3D21E31 |
-104.21 |
3.68 |
-8.73 |
-0.56 |
0 |
|
|
239105 |
93165989 |
1 |
SN3O3C19H27 |
AB3C3D19E27 |
-88.21 |
3.95 |
-8.7 |
-0.63 |
0 |
|
|
239106 |
93165990 |
1 |
SN3O3C19H27 |
AB3C3D19E27 |
-88.56 |
3.47 |
-8.68 |
-0.62 |
0 |
|
|
239107 |
93165991 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-75.65 |
5.37 |
-8.99 |
-0.72 |
0 |
|
|
239108 |
93165993 |
1 |
SO2N3C19H27 |
AB2C3D19E27 |
-60.65 |
4.81 |
-9.15 |
-0.7 |
0 |
|
|
239109 |
93165997 |
1 |
SO2N3C22H33 |
AB2C3D22E33 |
-82.61 |
4.49 |
-8.96 |
-0.68 |
0 |
|
|
239110 |
93165999 |
1 |
SO2N3C20H29 |
AB2C3D20E29 |
-65.7 |
4.85 |
-8.97 |
-0.7 |
0 |
|
|
239111 |
93166000 |
1 |
SO2N3C20H29 |
AB2C3D20E29 |
-65.73 |
4.65 |
-8.96 |
-0.7 |
0 |
|
|
239112 |
93166002 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-73.5 |
4.74 |
-8.96 |
-0.68 |
0 |
|
|
239113 |
93166004 |
1 |
SO2N3C25H31 |
AB2C3D25E31 |
-39.09 |
3.21 |
-8.45 |
-0.4 |
0 |
|
|
239114 |
93166005 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-48.04 |
5.01 |
-9.02 |
-0.79 |
0 |
|
|
239115 |
93166006 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-50.82 |
4.67 |
-9.14 |
-0.89 |
0 |
|
|
239116 |
93166008 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-74.49 |
5.06 |
-8.89 |
-0.66 |
0 |
|
|
239117 |
93166009 |
1 |
SO2N3C20H29 |
AB2C3D20E29 |
-66.38 |
5.22 |
-8.93 |
-0.74 |
0 |
|
|
239118 |
93166011 |
1 |
SO2N3C24H29 |
AB2C3D24E29 |
-33.11 |
5.08 |
-8.24 |
-0.76 |
0 |
|
|
239119 |
93166012 |
1 |
SO2N3C24H29 |
AB2C3D24E29 |
-33.06 |
3.36 |
-8.36 |
-0.64 |
0 |
|
|
239120 |
93166015 |
1 |
SO2N3C19H27 |
AB2C3D19E27 |
-57.47 |
4.07 |
-9.0 |
-0.76 |
0 |
|
|
239121 |
93166016 |
1 |
SO2N3C19H27 |
AB2C3D19E27 |
-57.48 |
4.2 |
-9.0 |
-0.74 |
0 |
|
|
239122 |
93166018 |
1 |
SO2N3C20H29 |
AB2C3D20E29 |
-62.66 |
4.84 |
-8.94 |
-0.8 |
0 |
|
|
239123 |
93166019 |
1 |
OS2N3C21H31 |
AB2C3D21E31 |
-8.33 |
6.3 |
-8.16 |
-1.01 |
0 |
|
|
239124 |
93166020 |
1 |
OS2N3C21H31 |
AB2C3D21E31 |
-11.14 |
7.03 |
-8.24 |
-0.67 |
0 |
|
|
239125 |
93166021 |
1 |
FOS2N3C24H28 |
ABC2D3E24F28 |
-22.16 |
7.4 |
-8.28 |
-0.99 |
0 |
|
|
239126 |
93166022 |
1 |
FOS2N3C24H28 |
ABC2D3E24F28 |
-22.32 |
5.98 |
-8.49 |
-0.49 |
0 |
|
|
239127 |
93166023 |
1 |
OS2N3C20H29 |
AB2C3D20E29 |
-12.16 |
7.22 |
-8.09 |
-0.9 |
0 |
|
|
239128 |
93166026 |
1 |
N2S2O3C24H30 |
A2B2C3D24E30 |
-75.12 |
6.79 |
-9.04 |
-0.78 |
0 |
|
|
239129 |
93166029 |
1 |
ClN2S2O3C22H25 |
AB2C2D3E22F25 |
-66.85 |
5.1 |
-9.22 |
-0.78 |
0 |
|
|
239130 |
93166030 |
1 |
ClN2S2O3C22H25 |
AB2C2D3E22F25 |
-70.4 |
6.86 |
-8.98 |
-0.51 |
0 |
|
|
239131 |
93166033 |
1 |
N2S2O5C23H28 |
A2B2C5D23E28 |
-124.59 |
7.15 |
-8.79 |
-0.5 |
0 |
|
|
239132 |
93166034 |
1 |
N2S2O5C23H28 |
A2B2C5D23E28 |
-125.55 |
4.75 |
-8.91 |
-0.52 |
0 |
|
|
239133 |
93166036 |
1 |
N2S2O3C23H28 |
A2B2C3D23E28 |
-70.69 |
4.51 |
-8.94 |
-0.4 |
0 |
|
|
239134 |
93166037 |
1 |
N2S2O4C23H28 |
A2B2C4D23E28 |
-100.57 |
6.76 |
-9.04 |
-0.47 |
0 |
|
|
239135 |
93166038 |
1 |
N2S2O4C23H28 |
A2B2C4D23E28 |
-102.71 |
4.5 |
-8.92 |
-0.38 |
0 |
|
|
239136 |
93166039 |
1 |
ClN2S2O3C22H25 |
AB2C2D3E22F25 |
-69.39 |
6.97 |
-9.29 |
-0.66 |
0 |
|
|
239137 |
93166040 |
1 |
ClN2S2O3C22H25 |
AB2C2D3E22F25 |
-66.75 |
5.56 |
-9.24 |
-0.46 |
0 |
|
|
239138 |
93166041 |
1 |
ClN2S2O4C22H25 |
AB2C2D4E22F25 |
-102.36 |
5.62 |
-9.34 |
-0.76 |
0 |
|
|
239139 |
93166042 |
1 |
ClN2S2O4C22H25 |
AB2C2D4E22F25 |
-99.62 |
4.94 |
-9.41 |
-0.67 |
0 |
|
|
239140 |
93166044 |
1 |
N2S2O3C24H30 |
A2B2C3D24E30 |
-76.92 |
4.47 |
-8.76 |
-0.41 |
0 |
|
|
239141 |
93166045 |
2 |
NSO2C11H13 |
ABC2D11E13 |
-91.84 |
5.72 |
-9.11 |
-0.68 |
0 |
|
|
239142 |
93166046 |
2 |
NSO2C11H13 |
ABC2D11E13 |
-91.88 |
5.19 |
-8.99 |
-0.39 |
0 |
|
|
239143 |
93166049 |
1 |
N2S2O5C24H30 |
A2B2C5D24E30 |
-132.26 |
6.84 |
-8.93 |
-0.46 |
0 |
|
|
239144 |
93166051 |
1 |
FNOC15H22 |
ABCD15E22 |
-74.05 |
2.38 |
-9.0 |
-0.07 |
0 |
|
|
239145 |
93166052 |
1 |
FNOC15H22 |
ABCD15E22 |
-73.66 |
2.11 |
-8.67 |
-0.06 |
0 |
|
|
239146 |
93166053 |
1 |
FNO2C17H24 |
ABC2D17E24 |
-111.31 |
6.51 |
-8.91 |
0.21 |
0 |
|
|
239147 |
93166054 |
1 |
FNO2C17H24 |
ABC2D17E24 |
-112.2 |
2.27 |
-9.07 |
-0.14 |
0 |
|
|
239148 |
93166056 |
1 |
NO3C18H29 |
AB3C18D29 |
-106.4 |
1.33 |
-8.19 |
0.29 |
0 |
|
|
239149 |
93166057 |
1 |
NO4C17H27 |
AB4C17D27 |
-129.91 |
3.0 |
-8.32 |
0.22 |
0 |
|
|
239150 |
93166058 |
1 |
NO4C17H27 |
AB4C17D27 |
-129.26 |
3.4 |
-8.12 |
0.44 |
0 |
|
|
239151 |
93166060 |
1 |
NO3C17H27 |
AB3C17D27 |
-102.42 |
1.14 |
-8.09 |
0.48 |
0 |
|
|
239152 |
93166061 |
1 |
NO3C17H29 |
AB3C17D29 |
-132.78 |
1.97 |
-8.29 |
0.18 |
0 |
|
|
239153 |
93166062 |
1 |
NO3C17H29 |
AB3C17D29 |
-132.59 |
2.19 |
-8.21 |
0.34 |
0 |
|
|
239154 |
93166063 |
1 |
NO3C19H31 |
AB3C19D31 |
-112.34 |
2.09 |
-8.23 |
0.32 |
0 |
|
|
239155 |
93166064 |
1 |
NO3C19H31 |
AB3C19D31 |
-111.58 |
1.41 |
-8.18 |
0.29 |
0 |
|
|
239156 |
93166067 |
1 |
NO3C18H29 |
AB3C18D29 |
-105.53 |
3.7 |
-8.6 |
0.04 |
0 |
|
|
239157 |
93166068 |
1 |
NO3C18H29 |
AB3C18D29 |
-104.83 |
2.32 |
-8.64 |
0.2 |
0 |
|
|
239158 |
93166069 |
1 |
NO4C17H29 |
AB4C17D29 |
-156.23 |
2.05 |
-8.54 |
0.13 |
0 |
|
|
239159 |
93166070 |
1 |
NO4C17H29 |
AB4C17D29 |
-153.86 |
3.7 |
-8.59 |
0.29 |
0 |
|
|
239160 |
93166071 |
1 |
NO3C17H27 |
AB3C17D27 |
-100.02 |
3.5 |
-8.78 |
0.03 |
0 |
|
|
239161 |
93166072 |
1 |
NO3C17H27 |
AB3C17D27 |
-98.03 |
3.32 |
-8.39 |
0.39 |
0 |
|
|
239162 |
93166073 |
1 |
NO3C19H31 |
AB3C19D31 |
-112.31 |
1.74 |
-8.76 |
0.07 |
0 |
|
|
239163 |
93166074 |
1 |
NO3C19H31 |
AB3C19D31 |
-111.9 |
2.8 |
-8.75 |
-0.05 |
0 |
|
|
239164 |
93166075 |
1 |
NSO2C14H23 |
ABC2D14E23 |
-82.76 |
1.8 |
-8.69 |
0.03 |
0 |
|
|
239165 |
93166076 |
1 |
NSO2C14H23 |
ABC2D14E23 |
-84.26 |
2.95 |
-8.83 |
-0.06 |
0 |
|
|
239166 |
93166077 |
1 |
NOF2C19H21 |
ABC2D19E21 |
-83.47 |
2.11 |
-9.38 |
-0.17 |
0 |
|
|
239167 |
93166079 |
1 |
NO2C20H25 |
AB2C20D25 |
-27.85 |
4.19 |
-8.71 |
0.32 |
0 |
|
|
239168 |
93166080 |
1 |
NO2C20H25 |
AB2C20D25 |
-27.95 |
3.88 |
-8.7 |
0.33 |
0 |
|
|
239169 |
93166081 |
1 |
FNOC19H22 |
ABCD19E22 |
-33.95 |
1.82 |
-9.04 |
0.09 |
0 |
|
|
239170 |
93166082 |
1 |
FNOC19H22 |
ABCD19E22 |
-35.31 |
1.35 |
-8.95 |
0.02 |
0 |
|
|
239171 |
93166083 |
1 |
NO3C21H27 |
AB3C21D27 |
-66.61 |
1.83 |
-8.77 |
0.02 |
0 |
|
|
239172 |
93166084 |
1 |
NO3C21H27 |
AB3C21D27 |
-60.93 |
3.09 |
-8.81 |
-0.1 |
0 |
|
|
239173 |
93166085 |
1 |
NO3C17H27 |
AB3C17D27 |
-99.23 |
4.09 |
-8.54 |
0.24 |
0 |
|
|
239174 |
93166088 |
1 |
NO2C20H25 |
AB2C20D25 |
-29.79 |
2.07 |
-8.81 |
0.2 |
0 |
|
|
239175 |
93166090 |
1 |
ClFSN2O3C27H28 |
ABCD2E3F27G28 |
-110.2 |
4.93 |
-9.25 |
-0.58 |
0 |