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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
157089 |
56422112 |
1 |
N4O5C25H26 |
A4B5C25D26 |
-114.55 |
6.4 |
-8.7 |
-1.21 |
0 |
|
|
157090 |
56422113 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-43.14 |
5.54 |
-8.64 |
-0.26 |
0 |
|
|
157091 |
56422114 |
1 |
SN4O4C16H16 |
AB4C4D16E16 |
-80.52 |
6.52 |
-8.82 |
-1.24 |
0 |
|
|
157092 |
56422115 |
1 |
SN4O5C21H24 |
AB4C5D21E24 |
-124.9 |
7.13 |
-8.75 |
-0.53 |
0 |
|
|
157093 |
56422118 |
1 |
N4O5C20H24 |
A4B5C20D24 |
-157.53 |
10.86 |
-9.1 |
-0.92 |
0 |
|
|
157094 |
56422119 |
1 |
O3N4C24H24 |
A3B4C24D24 |
-32.73 |
11.22 |
-8.61 |
-0.94 |
0 |
|
|
157095 |
56422120 |
1 |
O3N5C23H29 |
A3B5C23D29 |
-51.06 |
9.78 |
-8.58 |
-0.77 |
0 |
|
|
157096 |
56422121 |
1 |
F2N4O5H18C19 |
A2B4C5D18E19 |
-235.43 |
4.51 |
-8.82 |
-0.81 |
0 |
|
|
157097 |
56422122 |
1 |
N2O3C15H26 |
A2B3C15D26 |
-159.63 |
3.95 |
-8.99 |
1.18 |
0 |
|
|
157098 |
56422123 |
1 |
SN3O3C17H27 |
AB3C3D17E27 |
-108.71 |
3.6 |
-8.88 |
-0.22 |
0 |
|
|
157099 |
56422125 |
1 |
SO2N5C18H19 |
AB2C5D18E19 |
17.87 |
6.05 |
-9.12 |
-1.0 |
0 |
|
|
157100 |
56422126 |
1 |
SO2N5C18H23 |
AB2C5D18E23 |
-27.68 |
6.41 |
-9.04 |
-1.37 |
0 |
|
|
157101 |
56422127 |
1 |
BrSO2N3C15H18 |
ABC2D3E15F18 |
-66.76 |
5.4 |
-9.03 |
-1.01 |
0 |
|
|
157102 |
56422128 |
1 |
OSN3C20H21 |
ABC3D20E21 |
18.27 |
5.97 |
-8.58 |
-0.48 |
0 |
|
|
157103 |
56422130 |
1 |
O2N3C25H31 |
A2B3C25D31 |
-52.95 |
4.32 |
-8.73 |
-0.37 |
0 |
|
|
157104 |
56422131 |
1 |
OS2N4C20H22 |
AB2C4D20E22 |
48.88 |
5.2 |
-8.23 |
-1.26 |
0 |
|
|
157105 |
56422132 |
1 |
S2O3N5H13C18 |
A2B3C5D13E18 |
85.17 |
5.51 |
-8.86 |
-1.45 |
0 |
|
|
157106 |
56422139 |
1 |
O3N4C25H28 |
A3B4C25D28 |
-63.74 |
6.68 |
-8.57 |
-0.47 |
0 |
|
|
157107 |
56422140 |
1 |
N2O2C21H30 |
A2B2C21D30 |
-62.07 |
4.33 |
-8.65 |
-0.27 |
0 |
|
|
157108 |
56422141 |
1 |
ON5C24H27 |
AB5C24D27 |
61.01 |
5.7 |
-8.6 |
-0.3 |
0 |
|
|
157109 |
56422143 |
1 |
SN2O3C23H28 |
AB2C3D23E28 |
-93.23 |
4.92 |
-8.67 |
-0.37 |
0 |
|
|
157110 |
56422144 |
1 |
OF3N4C20H23 |
AB3C4D20E23 |
-143.91 |
5.5 |
-8.93 |
-0.47 |
0 |
|
|
157111 |
56422145 |
1 |
SN2O7C16H20 |
AB2C7D16E20 |
-197.73 |
4.3 |
-9.66 |
-1.81 |
0 |
|
|
157112 |
56422146 |
1 |
NO4C19H25 |
AB4C19D25 |
-134.16 |
4.89 |
-8.97 |
0.17 |
0 |
|
|
157113 |
56422148 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-130.6 |
7.31 |
-8.22 |
0.29 |
0 |
|
|
157114 |
56422150 |
1 |
NO7C19H25 |
AB7C19D25 |
-265.87 |
5.31 |
-8.91 |
-0.2 |
0 |
|
|
157115 |
56422153 |
1 |
FINO3C15H17 |
ABCD3E15F17 |
-136.7 |
5.47 |
-9.45 |
-1.25 |
0 |
|
|
157116 |
56422154 |
1 |
ClN3O3C19H22 |
AB3C3D19E22 |
-81.15 |
3.63 |
-9.25 |
-0.76 |
0 |
|
|
157117 |
56422155 |
2 |
NO2C8H13 |
AB2C8D13 |
-196.28 |
9.0 |
-9.37 |
0.65 |
0 |
|
|
157118 |
56422157 |
1 |
SN2O5C18H24 |
AB2C5D18E24 |
-189.8 |
3.62 |
-8.85 |
-0.1 |
0 |
|
|
157119 |
56422158 |
1 |
SN2O5C23H26 |
AB2C5D23E26 |
-156.05 |
7.24 |
-8.47 |
-0.86 |
0 |
|
|
157120 |
56422159 |
1 |
N3O4C18H21 |
A3B4C18D21 |
-117.71 |
5.68 |
-9.22 |
-0.9 |
0 |
|
|
157121 |
56422160 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-140.75 |
3.96 |
-9.07 |
-1.32 |
0 |
|
|
157122 |
56422161 |
1 |
N2O5C20H28 |
A2B5C20D28 |
-228.3 |
4.92 |
-9.05 |
-0.22 |
0 |
|
|
157123 |
56422162 |
1 |
SN2F3O3C16H19 |
AB2C3D3E16F19 |
-263.86 |
5.56 |
-9.01 |
-0.97 |
0 |
|
|
157124 |
56422163 |
1 |
SN3O5C21H27 |
AB3C5D21E27 |
-160.01 |
10.66 |
-9.35 |
-0.94 |
0 |
|
|
157125 |
56422164 |
1 |
NF3O4C17H20 |
AB3C4D17E20 |
-310.2 |
4.88 |
-9.48 |
-0.64 |
0 |
|
|
157126 |
56422165 |
1 |
FNO4C16H20 |
ABC4D16E20 |
-192.09 |
3.44 |
-9.16 |
-0.12 |
0 |
|
|
157127 |
56422166 |
1 |
NO4C20H29 |
AB4C20D29 |
-173.94 |
5.05 |
-9.0 |
0.03 |
0 |
|
|
157128 |
56422167 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-84.32 |
4.12 |
-9.0 |
-0.68 |
0 |
|
|
157129 |
56422168 |
1 |
ClNO5C21H30 |
ABC5D21E30 |
-217.53 |
4.53 |
-8.66 |
-0.31 |
0 |
|
|
157130 |
56422169 |
1 |
FN3O3C22H26 |
AB3C3D22E26 |
-116.07 |
1.35 |
-8.85 |
-0.76 |
0 |
|
|
157131 |
56422170 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-115.8 |
5.03 |
-9.29 |
-0.5 |
0 |
|
|
157132 |
56422172 |
1 |
FO2N3H22C23 |
AB2C3D22E23 |
-44.22 |
7.29 |
-8.91 |
-0.83 |
0 |
|
|
157133 |
56422173 |
1 |
ClFON4C22H26 |
ABCD4E22F26 |
-55.26 |
3.93 |
-8.53 |
-0.26 |
0 |
|
|
157134 |
56422174 |
1 |
FO3N5H20C21 |
AB3C5D20E21 |
-1.74 |
2.69 |
-9.01 |
-2.02 |
0 |
|
|
157135 |
56422175 |
1 |
FSN2O2C21H25 |
ABC2D2E21F25 |
-97.25 |
6.78 |
-8.8 |
-0.42 |
0 |
|
|
157136 |
56422176 |
1 |
FN3O3C23H26 |
AB3C3D23E26 |
-101.47 |
9.95 |
-8.81 |
-0.66 |
0 |
|
|
157137 |
56422177 |
1 |
FN3O4C22H28 |
AB3C4D22E28 |
-196.26 |
6.68 |
-8.8 |
-0.66 |
0 |
|
|
157138 |
56422179 |
1 |
FO2S2N4C22H23 |
AB2C2D4E22F23 |
-52.07 |
9.13 |
-8.89 |
-0.8 |
0 |
|
|
157139 |
56422180 |
1 |
FSN3O3C17H18 |
ABC3D3E17F18 |
-61.02 |
1.3 |
-9.08 |
-1.61 |
0 |
|
|
157140 |
56422184 |
1 |
FSO2N4C22H25 |
ABC2D4E22F25 |
-94.19 |
5.76 |
-8.87 |
-1.1 |
0 |
|
|
157141 |
56422185 |
1 |
FO3N4H21C23 |
AB3C4D21E23 |
-30.96 |
8.2 |
-9.13 |
-1.66 |
0 |
|
|
157142 |
56422186 |
1 |
FO2N3C25H32 |
AB2C3D25E32 |
-97.32 |
4.58 |
-8.44 |
-0.67 |
0 |
|
|
157143 |
56422187 |
1 |
FN2O2C18H21 |
AB2C2D18E21 |
-91.2 |
7.25 |
-8.79 |
-0.55 |
0 |
|
|
157144 |
56422188 |
1 |
FN4O4C21H25 |
AB4C4D21E25 |
-102.94 |
7.55 |
-8.93 |
-1.25 |
0 |
|
|
157145 |
56422189 |
1 |
FN3O4C22H26 |
AB3C4D22E26 |
-198.97 |
5.29 |
-9.15 |
-0.49 |
0 |
|
|
157146 |
56422190 |
1 |
ClFN2O2C20H20 |
ABC2D2E20F20 |
-96.13 |
4.41 |
-9.01 |
-0.43 |
0 |
|
|
157147 |
56422191 |
1 |
FSN3O3C24H32 |
ABC3D3E24F32 |
-153.17 |
9.7 |
-9.06 |
-0.37 |
0 |
|
|
157148 |
56422192 |
1 |
SF2N2O2C22H22 |
AB2C2D2E22F22 |
-118.8 |
5.68 |
-8.78 |
-1.06 |
0 |
|
|
157149 |
56422193 |
1 |
FOSN3C23H24 |
ABCD3E23F24 |
-23.23 |
5.95 |
-8.41 |
-0.91 |
0 |
|
|
157150 |
56422194 |
1 |
FN2O2S2C23H27 |
AB2C2D2E23F27 |
-88.87 |
5.03 |
-8.61 |
-0.41 |
0 |
|
|
157151 |
56422195 |
1 |
FSN3O4C20H24 |
ABC3D4E20F24 |
-135.76 |
1.56 |
-9.02 |
-0.97 |
0 |
|
|
157152 |
56422196 |
1 |
O3N4C27H36 |
A3B4C27D36 |
-81.41 |
5.03 |
-7.8 |
0.3 |
0 |
|
|
157153 |
56422197 |
1 |
FN3O4C23H26 |
AB3C4D23E26 |
-175.01 |
1.73 |
-8.93 |
-0.71 |
0 |
|
|
157154 |
56422198 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-98.8 |
3.35 |
-8.85 |
-0.6 |
0 |
|
|
157155 |
56422199 |
1 |
SN3O3C23H27 |
AB3C3D23E27 |
-91.69 |
2.1 |
-8.48 |
-0.75 |
0 |
|
|
157156 |
56422201 |
1 |
SN2O4C16H24 |
AB2C4D16E24 |
-145.94 |
2.95 |
-8.84 |
-0.2 |
0 |
|
|
157157 |
56422203 |
1 |
SO2N4C23H24 |
AB2C4D23E24 |
-7.82 |
5.22 |
-9.46 |
-1.2 |
0 |
|
|
157158 |
56422204 |
1 |
S2O3N5H15C17 |
A2B3C5D15E17 |
-5.79 |
7.84 |
-9.53 |
-1.27 |
0 |
|
|
157159 |
56422205 |
1 |
S2O3N4H16C19 |
A2B3C4D16E19 |
38.26 |
4.31 |
-9.53 |
-1.22 |
0 |
|
|
157160 |
56422206 |
1 |
IOSN3H14C17 |
ABCD3E14F17 |
62.8 |
1.89 |
-9.54 |
-1.1 |
0 |
|
|
157161 |
56422207 |
1 |
SO2N4H20C22 |
AB2C4D20E22 |
32.56 |
1.81 |
-9.06 |
-1.17 |
0 |
|
|
157162 |
56422209 |
1 |
SO3N5H21C22 |
AB3C5D21E22 |
20.78 |
2.95 |
-9.14 |
-1.0 |
0 |
|
|
157163 |
56422210 |
1 |
SN4O5C25H30 |
AB4C5D25E30 |
-145.67 |
7.36 |
-8.9 |
-0.49 |
0 |
|
|
157164 |
56422212 |
1 |
O2S2N4H20C23 |
A2B2C4D20E23 |
35.45 |
5.29 |
-9.31 |
-1.16 |
0 |
|
|
157165 |
56422213 |
1 |
S2O3N4C21H24 |
A2B3C4D21E24 |
-47.81 |
4.79 |
-9.6 |
-1.18 |
0 |
|
|
157166 |
56422214 |
1 |
N3O3H21C25 |
A3B3C21D25 |
2.76 |
4.13 |
-8.78 |
-0.69 |
0 |
|
|
157167 |
56422215 |
1 |
BrN2O4H17C18 |
AB2C4D17E18 |
-105.97 |
5.25 |
-9.08 |
-0.6 |
0 |
|
|
157168 |
56422216 |
1 |
SO2N6H20C22 |
AB2C6D20E22 |
44.47 |
5.14 |
-9.53 |
-1.15 |
0 |
|
|
157169 |
56422217 |
1 |
FN3O3C22H22 |
AB3C3D22E22 |
-93.46 |
3.12 |
-8.89 |
-0.59 |
0 |
|
|
157170 |
56422218 |
1 |
N3O4H21C24 |
A3B4C21D24 |
-37.3 |
3.51 |
-8.69 |
-0.76 |
0 |
|
|
157171 |
56422219 |
3 |
FNOH6C7 |
ABCD6E7 |
-185.88 |
6.31 |
-8.85 |
-0.72 |
0 |
|
|
157172 |
56422220 |
2 |
NSO4C9H13 |
ABC4D9E13 |
-320.87 |
8.65 |
-8.91 |
-0.6 |
0 |
|
|
157173 |
56422221 |
1 |
N2S2O8C17H24 |
A2B2C8D17E24 |
-299.0 |
3.91 |
-9.03 |
-1.25 |
0 |
|
|
157174 |
56422222 |
1 |
N5O5C24H27 |
A5B5C24D27 |
-140.17 |
7.41 |
-9.21 |
-0.77 |
0 |
|
|
157175 |
56422224 |
1 |
N4O6C23H24 |
A4B6C23D24 |
-174.42 |
5.66 |
-9.13 |
-0.63 |
0 |
|
|
157176 |
56422225 |
1 |
N4O4H22C23 |
A4B4C22D23 |
-78.64 |
7.76 |
-8.82 |
-0.7 |
0 |
|
|
157177 |
56422226 |
1 |
N5O6H19C22 |
A5B6C19D22 |
-156.31 |
9.68 |
-9.4 |
-1.29 |
0 |
|
|
157178 |
56422227 |
1 |
N4O5H22C26 |
A4B5C22D26 |
-94.18 |
8.8 |
-8.97 |
-0.83 |
0 |
|
|
157179 |
56422229 |
1 |
Cl2N4O4H16C19 |
A2B4C4D16E19 |
-102.18 |
5.83 |
-9.28 |
-0.79 |
0 |
|
|
157180 |
56422230 |
1 |
O4N5H19C21 |
A4B5C19D21 |
-70.19 |
6.76 |
-9.1 |
-1.06 |
0 |
|
|
157181 |
56422364 |
2 |
N3O3C11H13 |
A3B3C11D13 |
-189.54 |
5.52 |
-9.24 |
-0.76 |
0 |
|
|
157182 |
56422365 |
1 |
N5O5C22H23 |
A5B5C22D23 |
-138.56 |
7.39 |
-9.39 |
-0.89 |
0 |
|
|
157183 |
56422366 |
5 |
NOC4H5 |
ABC4D5 |
-179.88 |
5.52 |
-9.2 |
-0.7 |
0 |
|
|
157184 |
56422367 |
1 |
ClN4O5C19H21 |
AB4C5D19E21 |
-134.72 |
8.19 |
-8.41 |
-0.86 |
0 |
|
|
157185 |
56422368 |
1 |
FO4N5C23H26 |
AB4C5D23E26 |
-127.44 |
6.18 |
-8.76 |
-0.94 |
0 |
|
|
157186 |
56422369 |
1 |
BrSO3N4H19C20 |
ABC3D4E19F20 |
-11.22 |
8.76 |
-8.81 |
-0.84 |
0 |
|
|
157187 |
56422370 |
1 |
FO3N5C21H24 |
AB3C5D21E24 |
-89.49 |
10.87 |
-8.24 |
-0.97 |
0 |
|
|
157188 |
56422372 |
1 |
F3O3N4C19H19 |
A3B3C4D19E19 |
-223.01 |
13.08 |
-9.13 |
-1.07 |
0 |