List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
79152 |
49747134 |
2 |
ON3C9H9 |
AB3C9D9 |
82.99 |
3.21 |
-9.34 |
-1.31 |
0 |
|
|
79153 |
49747139 |
1 |
O2N6C13H16 |
A2B6C13D16 |
44.8 |
1.99 |
-9.93 |
-1.42 |
0 |
|
|
79154 |
49747141 |
1 |
ON5H15C16 |
AB5C15D16 |
122.33 |
2.85 |
-9.5 |
-1.31 |
0 |
|
|
79155 |
49747144 |
1 |
ON5C17H17 |
AB5C17D17 |
116.29 |
2.72 |
-9.42 |
-1.25 |
0 |
|
|
79156 |
49747146 |
1 |
ON5C17H17 |
AB5C17D17 |
113.39 |
2.5 |
-9.26 |
-1.32 |
0 |
|
|
79157 |
49747147 |
1 |
ClON5H14C16 |
ABC5D14E16 |
112.09 |
3.41 |
-9.48 |
-1.38 |
0 |
|
|
79158 |
49747155 |
1 |
O4N5H15C16 |
A4B5C15D16 |
13.34 |
3.85 |
-9.81 |
-1.44 |
0 |
|
|
79159 |
49747164 |
1 |
O3N5H17C18 |
A3B5C17D18 |
37.83 |
1.59 |
-9.73 |
-1.14 |
0 |
|
|
79160 |
49747174 |
1 |
OF2N5H13C16 |
AB2C5D13E16 |
30.14 |
3.18 |
-9.76 |
-1.4 |
0 |
|
|
79161 |
49747177 |
2 |
ON3C8H10 |
AB3C8D10 |
31.81 |
4.14 |
-9.83 |
-1.42 |
0 |
|
|
79162 |
49747179 |
1 |
ClO2N6H13C16 |
AB2C6D13E16 |
71.6 |
5.33 |
-9.23 |
-1.53 |
0 |
|
|
79163 |
49747180 |
1 |
ClO2N6H13C16 |
AB2C6D13E16 |
71.17 |
4.39 |
-8.99 |
-1.48 |
0 |
|
|
79164 |
49747184 |
1 |
FO2N6H13C16 |
AB2C6D13E16 |
34.0 |
4.16 |
-9.06 |
-1.53 |
0 |
|
|
79165 |
49747197 |
1 |
O2N6H16C17 |
A2B6C16D17 |
77.86 |
3.42 |
-9.64 |
-1.46 |
0 |
|
|
79166 |
49747198 |
2 |
O2N3C9H9 |
A2B3C9D9 |
6.13 |
3.41 |
-8.86 |
-1.4 |
0 |
|
|
79167 |
49747199 |
1 |
ClO2N6H13C16 |
AB2C6D13E16 |
72.86 |
2.25 |
-9.1 |
-1.49 |
0 |
|
|
79168 |
49747204 |
1 |
O3N6C19H20 |
A3B6C19D20 |
31.23 |
2.63 |
-8.83 |
-1.42 |
0 |
|
|
79169 |
49747207 |
1 |
O2F3N6H13C17 |
A2B3C6D13E17 |
-82.39 |
6.28 |
-9.57 |
-1.6 |
0 |
|
|
79170 |
49747209 |
1 |
O2F3N6H13C17 |
A2B3C6D13E17 |
-79.05 |
1.51 |
-9.5 |
-1.38 |
0 |
|
|
79171 |
49747218 |
1 |
ClO3N6H15C17 |
AB3C6D15E17 |
33.36 |
4.78 |
-8.79 |
-1.46 |
0 |
|
|
79172 |
49747219 |
1 |
O3N6C20H22 |
A3B6C20D22 |
26.71 |
5.38 |
-8.33 |
-1.18 |
0 |
|
|
79173 |
49747224 |
1 |
FO2N3C25H26 |
AB2C3D25E26 |
-25.39 |
4.46 |
-8.53 |
-0.57 |
0 |
|
|
79174 |
49747225 |
1 |
FO3N4C23H25 |
AB3C4D23E25 |
-88.36 |
5.78 |
-8.48 |
-1.17 |
0 |
|
|
79175 |
49747228 |
1 |
ClFSO2N3C21H21 |
ABCD2E3F21G21 |
-38.91 |
3.27 |
-8.4 |
-1.11 |
0 |
|
|
79176 |
49747229 |
1 |
FN4O4H23C24 |
AB4C4D23E24 |
-43.12 |
3.84 |
-8.4 |
-1.11 |
0 |
|
|
79177 |
49747233 |
1 |
FN4O4C25H25 |
AB4C4D25E25 |
-29.88 |
4.65 |
-8.61 |
-1.6 |
0 |
|
|
79178 |
49747237 |
1 |
FO4N7C25H28 |
AB4C7D25E28 |
-111.38 |
4.57 |
-8.33 |
-0.92 |
0 |
|
|
79179 |
49747239 |
1 |
FSO2N3C27H32 |
ABC2D3E27F32 |
-56.66 |
4.67 |
-8.44 |
-0.31 |
0 |
|
|
79180 |
49747241 |
1 |
FN3O4C29H34 |
AB3C4D29E34 |
-132.08 |
7.34 |
-8.31 |
-0.08 |
0 |
|
|
79181 |
49747261 |
1 |
FO4N5C28H30 |
AB4C5D28E30 |
-125.67 |
1.78 |
-8.37 |
-0.73 |
0 |
|
|
79182 |
49747280 |
1 |
Cl2N3O3C24H25 |
A2B3C3D24E25 |
-49.71 |
2.67 |
-7.79 |
-1.03 |
0 |
|
|
79183 |
49747288 |
1 |
SN3O3C28H35 |
AB3C3D28E35 |
-49.55 |
2.67 |
-8.26 |
-0.35 |
0 |
|
|
79184 |
49747290 |
1 |
N3O5C30H37 |
A3B5C30D37 |
-121.95 |
5.19 |
-8.7 |
0.04 |
0 |
|
|
79185 |
49747291 |
1 |
N3O5C30H37 |
A3B5C30D37 |
-123.62 |
3.49 |
-8.59 |
-0.05 |
0 |
|
|
79186 |
49747293 |
1 |
FN3O3C27H30 |
AB3C3D27E30 |
-66.56 |
2.06 |
-8.22 |
-0.32 |
0 |
|
|
79187 |
49747295 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-9.81 |
2.84 |
-8.04 |
0.15 |
0 |
|
|
79188 |
49747318 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-42.34 |
3.84 |
-7.8 |
0.28 |
0 |
|
|
79189 |
49747320 |
1 |
SN3O4C19H27 |
AB3C4D19E27 |
-176.74 |
6.28 |
-9.36 |
-0.64 |
0 |
|
|
79190 |
49747325 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-130.78 |
4.0 |
-9.23 |
-0.69 |
0 |
|
|
79191 |
49747331 |
1 |
SO3N4C22H26 |
AB3C4D22E26 |
-71.95 |
10.37 |
-9.08 |
-0.64 |
0 |
|
|
79192 |
49747333 |
1 |
SN3O4C22H31 |
AB3C4D22E31 |
-129.93 |
8.56 |
-9.29 |
-0.47 |
0 |
|
|
79193 |
49747338 |
1 |
SO3N4C23H28 |
AB3C4D23E28 |
-73.67 |
13.5 |
-8.6 |
-0.82 |
0 |
|
|
79194 |
49747345 |
1 |
ClSN2O3C23H27 |
ABC2D3E23F27 |
-92.54 |
5.46 |
-9.22 |
-0.64 |
0 |
|
|
79195 |
49747356 |
1 |
SO3N4C25H30 |
AB3C4D25E30 |
-60.57 |
5.18 |
-9.34 |
-0.55 |
0 |
|
|
79196 |
49747368 |
1 |
SN3O5C26H31 |
AB3C5D26E31 |
-179.93 |
7.61 |
-9.2 |
-1.46 |
0 |
|
|
79197 |
49747369 |
1 |
SN4O5C26H32 |
AB4C5D26E32 |
-135.13 |
10.67 |
-7.93 |
-0.64 |
0 |
|
|
79198 |
49747370 |
1 |
BrSN3O4C25H30 |
ABC3D4E25F30 |
-146.09 |
9.64 |
-8.7 |
-0.75 |
0 |
|
|
79199 |
49747374 |
1 |
SN2O5C27H36 |
AB2C5D27E36 |
-188.46 |
3.17 |
-8.94 |
-0.43 |
0 |
|
|
79200 |
49747387 |
1 |
BrN2S3O4C18H23 |
AB2C3D4E18F23 |
-115.41 |
7.29 |
-9.28 |
-1.03 |
0 |
|
|
79201 |
49747388 |
1 |
SN4O4C21H26 |
AB4C4D21E26 |
-121.75 |
8.92 |
-9.19 |
-0.62 |
0 |
|
|
79202 |
49747389 |
1 |
SF3N3O4C23H26 |
AB3C3D4E23F26 |
-292.35 |
10.61 |
-9.39 |
-0.71 |
0 |
|
|
79203 |
49747395 |
2 |
SN2O3C13H17 |
AB2C3D13E17 |
-219.34 |
10.84 |
-8.39 |
-0.55 |
0 |
|
|
79204 |
49747407 |
1 |
S2N4O5C30H34 |
A2B4C5D30E34 |
-146.65 |
3.04 |
-8.4 |
-0.63 |
0 |
|
|
79205 |
49747411 |
1 |
SN4O5C28H34 |
AB4C5D28E34 |
-188.59 |
3.43 |
-8.37 |
-0.67 |
0 |
|
|
79206 |
49747415 |
1 |
S2N3O4C18H23 |
A2B3C4D18E23 |
-127.52 |
9.11 |
-9.31 |
-0.96 |
0 |
|
|
79207 |
49747416 |
1 |
S2N4O4C17H22 |
A2B4C4D17E22 |
-101.77 |
1.66 |
-9.44 |
-1.06 |
0 |
|
|
79208 |
49747420 |
1 |
S2N3O5C19H21 |
A2B3C5D19E21 |
-81.17 |
4.04 |
-9.45 |
-0.98 |
0 |
|
|
79209 |
49747421 |
1 |
N3O3S3C19H21 |
A3B3C3D19E21 |
-49.57 |
7.73 |
-9.26 |
-1.04 |
0 |
|
|
79210 |
49747423 |
1 |
S2N3O3C22H25 |
A2B3C3D22E25 |
-47.44 |
6.88 |
-8.88 |
-1.09 |
0 |
|
|
79211 |
49747430 |
1 |
N2S2O4C25H26 |
A2B2C4D25E26 |
-88.46 |
3.14 |
-9.14 |
-0.88 |
0 |
|
|
79212 |
49747440 |
1 |
N2O3S3C18H22 |
A2B3C3D18E22 |
-60.38 |
2.5 |
-9.09 |
-0.91 |
0 |
|
|
79213 |
49747444 |
1 |
F2N2S3O4C17H20 |
A2B2C3D4E17F20 |
-201.44 |
7.85 |
-9.63 |
-1.14 |
0 |
|
|
79214 |
49747449 |
1 |
S2N3O4C13H19 |
A2B3C4D13E19 |
-143.3 |
6.31 |
-9.59 |
-1.08 |
0 |
|
|
79215 |
49747452 |
1 |
S2N4O5C23H28 |
A2B4C5D23E28 |
-162.37 |
4.08 |
-8.67 |
-0.95 |
0 |
|
|
79216 |
49747455 |
1 |
S2N4O5C26H34 |
A2B4C5D26E34 |
-178.85 |
6.94 |
-8.58 |
-0.89 |
0 |
|
|
79217 |
49747456 |
1 |
S3N4O6C23H30 |
A3B4C6D23E30 |
-210.4 |
6.05 |
-8.57 |
-0.96 |
0 |
|
|
79218 |
49747464 |
1 |
FN4O4C26H27 |
AB4C4D26E27 |
-115.37 |
6.29 |
-8.54 |
-0.98 |
0 |
|
|
79219 |
49747465 |
1 |
FSN3O3C26H26 |
ABC3D3E26F26 |
-52.88 |
5.43 |
-8.6 |
-1.09 |
0 |
|
|
79220 |
49747469 |
1 |
ClFN3O3H27C28 |
ABC3D3E27F28 |
-64.39 |
4.45 |
-8.32 |
-0.61 |
0 |
|
|
79221 |
49747479 |
1 |
F2N3O4C31H33 |
A2B3C4D31E33 |
-169.41 |
4.94 |
-8.87 |
-0.24 |
0 |
|
|
79222 |
49747528 |
1 |
FN4O4C27H33 |
AB4C4D27E33 |
-181.68 |
4.83 |
-8.62 |
-0.51 |
0 |
|
|
79223 |
49747529 |
1 |
FSN4O5C24H29 |
ABC4D5E24F29 |
-209.89 |
3.3 |
-8.75 |
-0.79 |
0 |
|
|
79224 |
49747534 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-46.98 |
4.63 |
-8.88 |
-0.66 |
0 |
|
|
79225 |
49747541 |
1 |
SN3O4C19H21 |
AB3C4D19E21 |
-18.54 |
4.93 |
-9.24 |
-1.82 |
0 |
|
|
79226 |
49747543 |
1 |
SO4N6C19H24 |
AB4C6D19E24 |
-97.83 |
2.95 |
-9.03 |
-0.91 |
0 |
|
|
79227 |
49747553 |
1 |
S2N3O3C15H19 |
A2B3C3D15E19 |
-49.44 |
2.79 |
-9.03 |
-1.07 |
0 |
|
|
79228 |
49747565 |
1 |
S3N4O5C25H28 |
A3B4C5D25E28 |
-113.43 |
6.1 |
-8.51 |
-1.14 |
0 |
|
|
79229 |
49747571 |
1 |
N2O2C17H20 |
A2B2C17D20 |
-12.34 |
2.47 |
-8.76 |
-0.8 |
0 |
|
|
79230 |
49747579 |
1 |
N3O3C18H19 |
A3B3C18D19 |
4.79 |
2.01 |
-8.95 |
-1.03 |
0 |
|
|
79231 |
49747588 |
1 |
FN2O2C22H27 |
AB2C2D22E27 |
-93.57 |
3.31 |
-9.04 |
-0.3 |
0 |
|
|
79232 |
49747589 |
1 |
N2O3C23H30 |
A2B3C23D30 |
-87.22 |
5.04 |
-8.88 |
-0.1 |
0 |
|
|
79233 |
49747591 |
1 |
OSN2C18H22 |
ABC2D18E22 |
25.09 |
3.35 |
-8.88 |
-0.32 |
0 |
|
|
79234 |
49747596 |
1 |
OSN2C17H22 |
ABC2D17E22 |
2.11 |
3.86 |
-8.97 |
-0.17 |
0 |
|
|
79235 |
49747600 |
1 |
SF2N2O2C16H18 |
AB2C2D2E16F18 |
-114.01 |
4.95 |
-9.18 |
-1.0 |
0 |
|
|
79236 |
49747605 |
1 |
SO2N3C17H21 |
AB2C3D17E21 |
-25.5 |
1.58 |
-8.88 |
-0.4 |
0 |
|
|
79237 |
49747606 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-77.51 |
2.04 |
-8.68 |
-0.36 |
0 |
|
|
79238 |
49747607 |
1 |
O3N4C23H28 |
A3B4C23D28 |
-84.77 |
6.3 |
-8.62 |
-0.47 |
0 |
|
|
79239 |
49747609 |
1 |
O3N4C25H32 |
A3B4C25D32 |
-91.51 |
3.78 |
-8.5 |
-0.32 |
0 |
|
|
79240 |
49747611 |
1 |
S2N4O4C25H28 |
A2B4C4D25E28 |
-78.06 |
4.89 |
-8.63 |
-1.01 |
0 |
|
|
79241 |
49747615 |
1 |
SN2O3C19H24 |
AB2C3D19E24 |
-78.54 |
2.52 |
-8.7 |
-0.45 |
0 |
|
|
79242 |
49747617 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-121.29 |
8.17 |
-8.56 |
-0.94 |
0 |
|
|
79243 |
49747618 |
1 |
N4O4C19H26 |
A4B4C19D26 |
-92.25 |
4.91 |
-8.7 |
0.2 |
0 |
|
|
79244 |
49747621 |
1 |
N3O5C22H25 |
A3B5C22D25 |
-64.44 |
3.97 |
-9.06 |
-1.64 |
0 |
|
|
79245 |
49747623 |
1 |
FN2O4C25H31 |
AB2C4D25E31 |
-173.11 |
4.62 |
-9.06 |
-0.16 |
0 |
|
|
79246 |
49747625 |
1 |
N2O5C26H34 |
A2B5C26D34 |
-165.23 |
6.88 |
-8.8 |
-0.11 |
0 |
|
|
79247 |
49747626 |
1 |
SN2O3C21H26 |
AB2C3D21E26 |
-56.74 |
3.73 |
-8.43 |
-0.13 |
0 |
|
|
79248 |
49747627 |
2 |
NO2C12H15 |
AB2C12D15 |
-102.02 |
6.42 |
-8.59 |
-0.04 |
0 |
|
|
79249 |
49747631 |
1 |
SN2O4C21H26 |
AB2C4D21E26 |
-93.04 |
7.35 |
-8.74 |
-0.92 |
0 |
|
|
79250 |
49747645 |
1 |
N4O5C27H32 |
A4B5C27D32 |
-170.59 |
6.22 |
-8.29 |
-0.58 |
0 |
|
|
79251 |
49747682 |
1 |
SO3N4C22H26 |
AB3C4D22E26 |
-84.53 |
3.36 |
-8.34 |
-0.68 |
0 |