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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
158189 |
56463128 |
1 |
ClSO3N5C19H20 |
ABC3D5E19F20 |
16.81 |
1.03 |
-9.77 |
-1.62 |
0 |
|
|
158190 |
56463132 |
1 |
BrNSO4C16H18 |
ABCD4E16F18 |
-131.05 |
4.02 |
-9.06 |
-1.08 |
0 |
|
|
158191 |
56463134 |
1 |
SN2O7C18H26 |
AB2C7D18E26 |
-274.66 |
4.92 |
-8.27 |
0.15 |
0 |
|
|
158192 |
56463135 |
1 |
N2S3O5C18H22 |
A2B3C5D18E22 |
-161.14 |
5.23 |
-8.94 |
-0.75 |
0 |
|
|
158193 |
56463137 |
1 |
SCl2N2O4C16H18 |
AB2C2D4E16F18 |
-147.61 |
3.88 |
-9.56 |
-1.41 |
0 |
|
|
158194 |
56463139 |
1 |
SO3N4C21H26 |
AB3C4D21E26 |
-65.47 |
4.59 |
-8.9 |
-0.7 |
0 |
|
|
158195 |
56463140 |
1 |
ClS2N3O3C17H18 |
AB2C3D3E17F18 |
-55.29 |
3.72 |
-9.03 |
-1.26 |
0 |
|
|
158196 |
56463142 |
1 |
SO3N4C20H24 |
AB3C4D20E24 |
-51.79 |
6.84 |
-9.43 |
-1.07 |
0 |
|
|
158197 |
56463144 |
1 |
ClN2S2O5C20H23 |
AB2C2D5E20F23 |
-147.23 |
5.09 |
-9.62 |
-1.01 |
0 |
|
|
158198 |
56463145 |
1 |
SN2F3O5C20H21 |
AB2C3D5E20F21 |
-327.01 |
3.46 |
-9.6 |
-0.79 |
0 |
|
|
158199 |
56463149 |
1 |
N2S2O5C17H26 |
A2B2C5D17E26 |
-201.66 |
5.67 |
-9.61 |
-1.12 |
0 |
|
|
158200 |
56463151 |
1 |
S2N3O3C20H21 |
A2B3C3D20E21 |
-21.48 |
7.41 |
-9.07 |
-0.98 |
0 |
|
|
158201 |
56463153 |
1 |
SCl2N3O3C18H21 |
AB2C3D3E18F21 |
-81.11 |
6.9 |
-9.5 |
-0.8 |
0 |
|
|
158202 |
56463154 |
1 |
FN2S2O5C16H23 |
AB2C2D5E16F23 |
-242.77 |
3.73 |
-9.4 |
-0.87 |
0 |
|
|
158203 |
56463155 |
1 |
N2S2O5C17H26 |
A2B2C5D17E26 |
-204.28 |
5.18 |
-9.62 |
-1.07 |
0 |
|
|
158204 |
56463156 |
1 |
FSN3O6H18C21 |
ABC3D6E18F21 |
-205.24 |
8.39 |
-8.83 |
-1.16 |
0 |
|
|
158205 |
56463157 |
1 |
SF2N3O5H13C19 |
AB2C3D5E13F19 |
-202.63 |
3.24 |
-8.98 |
-1.46 |
0 |
|
|
158206 |
56463158 |
1 |
SN4O5H18C19 |
AB4C5D18E19 |
-119.16 |
9.86 |
-9.2 |
-1.43 |
0 |
|
|
158207 |
56463159 |
1 |
S2N5O5C17H17 |
A2B5C5D17E17 |
-95.62 |
7.08 |
-9.01 |
-1.45 |
0 |
|
|
158208 |
56463160 |
1 |
OSN3C19H23 |
ABC3D19E23 |
-8.65 |
4.95 |
-8.49 |
-0.81 |
0 |
|
|
158209 |
56463166 |
1 |
OSN4C22H32 |
ABC4D22E32 |
-18.31 |
3.06 |
-8.38 |
-0.75 |
0 |
|
|
158210 |
56463167 |
1 |
FSO2N3C21H26 |
ABC2D3E21F26 |
-114.45 |
5.53 |
-9.49 |
-0.98 |
0 |
|
|
158211 |
56463168 |
1 |
ClSF3N3O4C18H21 |
ABC3D3E4F18G21 |
-320.61 |
4.95 |
-9.29 |
-1.43 |
0 |
|
|
158212 |
56463169 |
1 |
OSN2C20H24 |
ABC2D20E24 |
-5.58 |
2.85 |
-9.23 |
-0.64 |
0 |
|
|
158213 |
56463170 |
1 |
SO2N3C20H35 |
AB2C3D20E35 |
-108.95 |
2.16 |
-8.71 |
-0.76 |
0 |
|
|
158214 |
56463171 |
1 |
SO3N4C22H28 |
AB3C4D22E28 |
-75.16 |
3.31 |
-8.48 |
-0.72 |
0 |
|
|
158215 |
56463172 |
1 |
OSF3N3C22H28 |
ABC3D3E22F28 |
-192.26 |
7.77 |
-9.16 |
-0.97 |
0 |
|
|
158216 |
56463173 |
1 |
FS2N3O3C23H26 |
AB2C3D3E23F26 |
-116.41 |
5.71 |
-9.4 |
-0.89 |
0 |
|
|
158217 |
56463174 |
1 |
SN4O5C21H24 |
AB4C5D21E24 |
-140.8 |
4.48 |
-9.58 |
-0.99 |
0 |
|
|
158218 |
56463176 |
1 |
SO2N3C21H29 |
AB2C3D21E29 |
-47.1 |
5.35 |
-8.67 |
-0.77 |
0 |
|
|
158219 |
56463177 |
1 |
N3O5C21H31 |
A3B5C21D31 |
-177.97 |
5.07 |
-8.54 |
0.24 |
0 |
|
|
158220 |
56463179 |
1 |
BrSN2O2C15H19 |
ABC2D2E15F19 |
-41.07 |
3.94 |
-9.32 |
-0.81 |
0 |
|
|
158221 |
56463181 |
1 |
SO2F3N3C18H28 |
AB2C3D3E18F28 |
-246.15 |
1.04 |
-8.91 |
-0.79 |
0 |
|
|
158222 |
56463183 |
1 |
O2N5C23H29 |
A2B5C23D29 |
-30.84 |
5.29 |
-8.31 |
-0.4 |
0 |
|
|
158223 |
56463184 |
1 |
S2O3N4C24H28 |
A2B3C4D24E28 |
-32.23 |
6.22 |
-8.42 |
-1.29 |
0 |
|
|
158224 |
56463185 |
3 |
ON2C7H8 |
AB2C7D8 |
-69.21 |
3.1 |
-8.43 |
-1.48 |
0 |
|
|
158225 |
56463187 |
1 |
O3N4C28H34 |
A3B4C28D34 |
-58.53 |
8.24 |
-8.02 |
-0.5 |
0 |
|
|
158226 |
56463189 |
1 |
S2O3N4C19H26 |
A2B3C4D19E26 |
-59.97 |
7.04 |
-8.37 |
-1.16 |
0 |
|
|
158227 |
56463190 |
1 |
SO3N5C26H33 |
AB3C5D26E33 |
-68.69 |
5.96 |
-8.47 |
-1.33 |
0 |
|
|
158228 |
56463194 |
1 |
O2N3C26H33 |
A2B3C26D33 |
-50.13 |
2.94 |
-8.26 |
-0.43 |
0 |
|
|
158229 |
56463195 |
1 |
OSN6C25H32 |
ABC6D25E32 |
53.9 |
5.95 |
-8.69 |
-0.2 |
0 |
|
|
158230 |
56463196 |
1 |
ClOSN3C28H32 |
ABCD3E28F32 |
19.67 |
5.84 |
-8.62 |
-0.56 |
0 |
|
|
158231 |
56463197 |
1 |
O3N5C24H29 |
A3B5C24D29 |
-66.34 |
7.27 |
-8.75 |
-0.99 |
0 |
|
|
158232 |
56463201 |
1 |
O3N4H22C23 |
A3B4C22D23 |
-68.19 |
5.19 |
-8.56 |
-0.45 |
0 |
|
|
158233 |
56463203 |
1 |
SN3O5C21H21 |
AB3C5D21E21 |
-129.79 |
6.23 |
-8.78 |
-1.04 |
0 |
|
|
158234 |
56463204 |
1 |
FSN3O4H22C23 |
ABC3D4E22F23 |
-160.31 |
3.04 |
-8.55 |
-1.14 |
0 |
|
|
158235 |
56463207 |
1 |
BrO2N4C18H19 |
AB2C4D18E19 |
25.7 |
3.49 |
-8.98 |
-0.87 |
0 |
|
|
158236 |
56463209 |
1 |
FO2N4C22H25 |
AB2C4D22E25 |
-29.99 |
6.33 |
-8.79 |
-0.74 |
0 |
|
|
158237 |
56463211 |
1 |
SO4N5C22H27 |
AB4C5D22E27 |
-66.27 |
1.71 |
-9.22 |
-1.58 |
0 |
|
|
158238 |
56463214 |
1 |
SN4O4C24H28 |
AB4C4D24E28 |
-64.1 |
9.32 |
-9.08 |
-0.86 |
0 |
|
|
158239 |
56463215 |
1 |
SN4O5C24H28 |
AB4C5D24E28 |
-89.5 |
3.62 |
-8.82 |
-0.88 |
0 |
|
|
158240 |
56463217 |
1 |
ClSN4O4C22H23 |
ABC4D4E22F23 |
-50.43 |
6.0 |
-8.97 |
-1.38 |
0 |
|
|
158241 |
56463219 |
1 |
FOSN4C22H27 |
ABCD4E22F27 |
-33.58 |
4.35 |
-9.3 |
-0.73 |
0 |
|
|
158242 |
56463220 |
1 |
ClFSN3O4H19C22 |
ABCD3E4F19G22 |
-162.25 |
3.74 |
-8.8 |
-1.0 |
0 |
|
|
158243 |
56463221 |
1 |
SO2N10C19H28 |
AB2C10D19E28 |
68.15 |
5.93 |
-9.01 |
-1.1 |
0 |
|
|
158244 |
56463222 |
1 |
OS2N3C20H29 |
AB2C3D20E29 |
-25.51 |
5.42 |
-8.74 |
-0.86 |
0 |
|
|
158245 |
56463223 |
1 |
N4O5C20H34 |
A4B5C20D34 |
-272.46 |
2.21 |
-9.54 |
0.62 |
0 |
|
|
158246 |
56463225 |
1 |
SN4O5C19H24 |
AB4C5D19E24 |
-43.85 |
4.1 |
-8.77 |
-1.45 |
0 |
|
|
158247 |
56463226 |
2 |
NOC10H16 |
ABC10D16 |
-82.23 |
2.33 |
-8.67 |
0.24 |
0 |
|
|
158248 |
56463227 |
1 |
N2O2C19H30 |
A2B2C19D30 |
-70.53 |
4.11 |
-8.84 |
0.21 |
0 |
|
|
158249 |
56463229 |
1 |
BrOSN2C18H21 |
ABCD2E18F21 |
22.75 |
2.41 |
-8.76 |
-1.17 |
0 |
|
|
158250 |
56463230 |
1 |
ClN2O2C21H23 |
AB2C2D21E23 |
-23.67 |
3.28 |
-8.91 |
-0.78 |
0 |
|
|
158251 |
56463233 |
1 |
O2F3N4C20H23 |
A2B3C4D20E23 |
-155.49 |
10.47 |
-8.43 |
-1.34 |
0 |
|
|
158252 |
56463234 |
1 |
BrO2N4C18H23 |
AB2C4D18E23 |
-33.0 |
4.38 |
-9.14 |
-1.09 |
0 |
|
|
158253 |
56463235 |
1 |
ClO2N4C21H23 |
AB2C4D21E23 |
26.92 |
2.81 |
-8.92 |
-0.97 |
0 |
|
|
158254 |
56463236 |
1 |
ClOSN3C18H22 |
ABCD3E18F22 |
11.43 |
5.62 |
-9.12 |
-1.36 |
0 |
|
|
158255 |
56463237 |
1 |
SO3N5C23H31 |
AB3C5D23E31 |
-79.16 |
6.66 |
-9.03 |
-0.49 |
0 |
|
|
158256 |
56463238 |
1 |
ON4C24H28 |
AB4C24D28 |
58.74 |
6.7 |
-8.85 |
-0.26 |
0 |
|
|
158257 |
56463239 |
1 |
O3N4C25H30 |
A3B4C25D30 |
-10.14 |
1.91 |
-8.27 |
-0.68 |
0 |
|
|
158258 |
56463241 |
1 |
N3O4C26H31 |
A3B4C26D31 |
-67.71 |
3.72 |
-8.73 |
-1.08 |
0 |
|
|
158259 |
56463242 |
2 |
ON2C12H14 |
AB2C12D14 |
21.53 |
4.31 |
-8.67 |
-0.69 |
0 |
|
|
158260 |
56463245 |
1 |
ClOSN2C19H23 |
ABCD2E19F23 |
4.51 |
1.74 |
-8.66 |
-1.04 |
0 |
|
|
158261 |
56463247 |
1 |
ON2C21H26 |
AB2C21D26 |
6.38 |
2.8 |
-8.85 |
-0.29 |
0 |
|
|
158262 |
56463249 |
1 |
F3O4N5C22H26 |
A3B4C5D22E26 |
-166.09 |
6.27 |
-9.36 |
-1.15 |
0 |
|
|
158263 |
56463251 |
1 |
N3O4C23H31 |
A3B4C23D31 |
-71.16 |
5.15 |
-8.47 |
-0.65 |
0 |
|
|
158264 |
56463252 |
1 |
O4N7C18H23 |
A4B7C18D23 |
-63.13 |
6.37 |
-9.47 |
-0.87 |
0 |
|
|
158265 |
56463253 |
1 |
SN4O4C22H30 |
AB4C4D22E30 |
-87.87 |
1.29 |
-9.63 |
-0.92 |
0 |
|
|
158266 |
56463254 |
1 |
O4N5C22H33 |
A4B5C22D33 |
-134.02 |
8.34 |
-10.14 |
-0.33 |
0 |
|
|
158267 |
56463256 |
1 |
O3N4C23H32 |
A3B4C23D32 |
-66.46 |
6.1 |
-9.79 |
-0.33 |
0 |
|
|
158268 |
56463257 |
1 |
BrN3O4C20H26 |
AB3C4D20E26 |
-73.98 |
7.79 |
-8.88 |
-0.74 |
0 |
|
|
158269 |
56463261 |
1 |
BrNSO5C16H18 |
ABCD5E16F18 |
-149.3 |
3.84 |
-9.52 |
-0.93 |
0 |
|
|
158270 |
56463264 |
1 |
BrSN2O4C15H19 |
ABC2D4E15F19 |
-157.5 |
4.46 |
-9.53 |
-0.22 |
0 |
|
|
158271 |
56463265 |
1 |
SCl2N2O4C16H20 |
AB2C2D4E16F20 |
-171.73 |
8.98 |
-9.94 |
-1.18 |
0 |
|
|
158272 |
56463269 |
1 |
ClN2S2O5C16H23 |
AB2C2D5E16F23 |
-210.28 |
10.38 |
-9.92 |
-1.26 |
0 |
|
|
158273 |
56463273 |
1 |
FSO3N4H23C24 |
ABC3D4E23F24 |
-60.08 |
3.65 |
-9.61 |
-1.22 |
0 |
|
|
158274 |
56463275 |
1 |
SN2O5C22H24 |
AB2C5D22E24 |
-132.9 |
3.17 |
-8.48 |
-1.18 |
0 |
|
|
158275 |
56463276 |
1 |
N2S2O6C17H26 |
A2B2C6D17E26 |
-238.53 |
1.62 |
-9.57 |
-1.23 |
0 |
|
|
158276 |
56463277 |
1 |
N2S2O6C19H24 |
A2B2C6D19E24 |
-201.36 |
1.58 |
-8.75 |
-1.02 |
0 |
|
|
158277 |
56463280 |
1 |
N2S2O5C19H28 |
A2B2C5D19E28 |
-207.77 |
4.27 |
-9.22 |
-0.4 |
0 |
|
|
158278 |
56463282 |
1 |
FS2N3O3C18H20 |
AB2C3D3E18F20 |
-98.78 |
5.33 |
-9.03 |
-0.83 |
0 |
|
|
158279 |
56463284 |
1 |
ClN2S2O6C17H25 |
AB2C2D6E17F25 |
-246.93 |
5.4 |
-9.36 |
-1.31 |
0 |
|
|
158280 |
56463286 |
1 |
FSN3O6H18C22 |
ABC3D6E18F22 |
-186.94 |
6.69 |
-8.86 |
-1.55 |
0 |
|
|
158281 |
56463290 |
2 |
SN2O2C9H12 |
AB2C2D9E12 |
-110.13 |
4.01 |
-9.51 |
-1.16 |
0 |
|
|
158282 |
56463293 |
1 |
S2N3O3C20H29 |
A2B3C3D20E29 |
-109.55 |
4.74 |
-9.48 |
-1.02 |
0 |
|
|
158283 |
56463294 |
1 |
OSN4C23H28 |
ABC4D23E28 |
12.49 |
5.07 |
-8.61 |
-0.79 |
0 |
|
|
158284 |
56463295 |
1 |
FOSN2C19H23 |
ABCD2E19F23 |
-68.28 |
5.12 |
-9.3 |
-0.64 |
0 |
|
|
158285 |
56463296 |
1 |
SO2F3N3C17H20 |
AB2C3D3E17F20 |
-212.67 |
6.15 |
-9.54 |
-1.04 |
0 |
|
|
158286 |
56463297 |
1 |
OSN3C18H31 |
ABC3D18E31 |
-61.8 |
4.58 |
-8.6 |
-0.76 |
0 |
|
|
158287 |
56463298 |
1 |
O4N5C21H27 |
A4B5C21D27 |
-122.88 |
2.4 |
-9.42 |
-1.17 |
0 |
|
|
158288 |
56463301 |
1 |
SO2N3C23H31 |
AB2C3D23E31 |
-67.76 |
0.45 |
-9.14 |
-0.75 |
0 |