List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
370292 |
127337963 |
1 |
OSN5C18H25 |
ABC5D18E25 |
9.98 |
5.4 |
-8.54 |
-0.27 |
0 |
|
|
370293 |
127337964 |
1 |
ON5C20H27 |
AB5C20D27 |
8.88 |
2.38 |
-8.59 |
-0.25 |
0 |
|
|
370294 |
127337965 |
1 |
ON6C20H28 |
AB6C20D28 |
11.9 |
7.52 |
-8.83 |
-0.64 |
0 |
|
|
370295 |
127337968 |
1 |
ON7C21H31 |
AB7C21D31 |
2.87 |
7.61 |
-8.38 |
0.01 |
0 |
|
|
370296 |
127337969 |
1 |
ON5C22H29 |
AB5C22D29 |
3.09 |
6.14 |
-8.46 |
-0.04 |
0 |
|
|
370297 |
127337974 |
1 |
O2N5C20H33 |
A2B5C20D33 |
-76.42 |
2.87 |
-8.85 |
-0.56 |
0 |
|
|
370298 |
127337975 |
1 |
OSN6C19H28 |
ABC6D19E28 |
2.4 |
6.68 |
-8.43 |
-0.27 |
0 |
|
|
370299 |
127337976 |
1 |
O2N5C17H27 |
A2B5C17D27 |
-57.97 |
4.73 |
-8.54 |
-0.26 |
0 |
|
|
370300 |
127337977 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-29.42 |
5.91 |
-8.43 |
-0.02 |
0 |
|
|
370301 |
127337978 |
1 |
ON5C22H29 |
AB5C22D29 |
2.97 |
7.03 |
-8.43 |
-0.01 |
0 |
|
|
370302 |
127337979 |
1 |
O2N5C16H25 |
A2B5C16D25 |
-53.52 |
5.77 |
-8.51 |
-0.07 |
0 |
|
|
370303 |
127337980 |
1 |
ON5C20H33 |
AB5C20D33 |
-43.13 |
7.36 |
-8.38 |
0.05 |
0 |
|
|
370304 |
127337982 |
1 |
ON5C17H25 |
AB5C17D25 |
-5.58 |
6.65 |
-8.42 |
-0.02 |
0 |
|
|
370305 |
127337983 |
1 |
O2N5C18H29 |
A2B5C18D29 |
-66.08 |
2.4 |
-8.52 |
-0.25 |
0 |
|
|
370306 |
127337984 |
1 |
FON5C22H28 |
ABC5D22E28 |
-44.16 |
5.06 |
-8.46 |
-0.33 |
0 |
|
|
370307 |
127338005 |
1 |
ON5C19H29 |
AB5C19D29 |
-15.95 |
6.91 |
-8.41 |
0.02 |
0 |
|
|
370308 |
127338006 |
1 |
FON5C19H22 |
ABC5D19E22 |
-30.36 |
5.05 |
-8.57 |
-0.43 |
0 |
|
|
370309 |
127338007 |
1 |
ON5C18H29 |
AB5C18D29 |
-31.01 |
6.84 |
-8.41 |
0.0 |
0 |
|
|
370310 |
127338008 |
1 |
ON7C17H25 |
AB7C17D25 |
20.0 |
4.05 |
-8.54 |
-0.17 |
0 |
|
|
370311 |
127338009 |
1 |
ClON5C19H24 |
ABC5D19E24 |
6.41 |
3.19 |
-8.62 |
-0.31 |
0 |
|
|
370312 |
127338012 |
1 |
OSN5C18H25 |
ABC5D18E25 |
17.51 |
1.84 |
-8.52 |
-0.28 |
0 |
|
|
370313 |
127338013 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-28.13 |
7.78 |
-8.49 |
-0.17 |
0 |
|
|
370314 |
127338014 |
1 |
O2N5C16H25 |
A2B5C16D25 |
-60.75 |
6.32 |
-8.48 |
-0.05 |
0 |
|
|
370315 |
127338015 |
1 |
SO2N6C18H24 |
AB2C6D18E24 |
-9.75 |
5.98 |
-8.56 |
-0.56 |
0 |
|
|
370316 |
127338016 |
1 |
O2N5C18H29 |
A2B5C18D29 |
-67.27 |
1.63 |
-8.53 |
-0.21 |
0 |
|
|
370317 |
127338017 |
1 |
O2N7C19H27 |
A2B7C19D27 |
-3.58 |
6.29 |
-8.63 |
-0.19 |
0 |
|
|
370318 |
127338018 |
1 |
ON5C21H27 |
AB5C21D27 |
4.23 |
1.64 |
-8.78 |
-0.45 |
0 |
|
|
370319 |
127338056 |
1 |
ON6C20H32 |
AB6C20D32 |
-20.63 |
7.89 |
-8.4 |
0.02 |
0 |
|
|
370320 |
127338057 |
1 |
ON8C17H24 |
AB8C17D24 |
36.08 |
6.38 |
-8.62 |
-0.17 |
0 |
|
|
370321 |
127338058 |
1 |
ClFON5C19H23 |
ABCD5E19F23 |
-47.8 |
5.57 |
-8.63 |
-0.58 |
0 |
|
|
370322 |
127338059 |
1 |
FON5C22H28 |
ABC5D22E28 |
-42.75 |
6.24 |
-8.45 |
-0.34 |
0 |
|
|
370323 |
127338060 |
1 |
ClFON4C19H24 |
ABCD4E19F24 |
-69.58 |
6.47 |
-8.79 |
-0.56 |
0 |
|
|
370324 |
127338061 |
1 |
N3O3C16H29 |
A3B3C16D29 |
-157.99 |
5.04 |
-9.07 |
0.85 |
0 |
|
|
370325 |
127338079 |
1 |
O3N4C15H26 |
A3B4C15D26 |
-136.75 |
6.26 |
-9.16 |
0.59 |
0 |
|
|
370326 |
127338080 |
1 |
N3O3C16H29 |
A3B3C16D29 |
-130.27 |
1.85 |
-9.04 |
0.81 |
0 |
|
|
370327 |
127338081 |
1 |
N3O3C19H33 |
A3B3C19D33 |
-130.81 |
1.94 |
-9.04 |
0.9 |
0 |
|
|
370328 |
127338082 |
1 |
O2N5C21H35 |
A2B5C21D35 |
-89.35 |
6.76 |
-8.9 |
0.74 |
0 |
|
|
370329 |
127338083 |
1 |
O2N5C21H35 |
A2B5C21D35 |
-89.03 |
8.27 |
-8.63 |
0.89 |
0 |
|
|
370330 |
127338084 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-77.6 |
4.37 |
-8.73 |
0.22 |
0 |
|
|
370331 |
127338089 |
2 |
N2O2C9H16 |
A2B2C9D16 |
-182.88 |
5.54 |
-8.76 |
0.26 |
0 |
|
|
370332 |
127338104 |
1 |
SN3O5C17H31 |
AB3C5D17E31 |
-254.63 |
6.07 |
-9.75 |
0.23 |
0 |
|
|
370333 |
127338105 |
1 |
SN3O5C17H31 |
AB3C5D17E31 |
-240.37 |
6.1 |
-9.4 |
0.19 |
0 |
|
|
370334 |
127338106 |
1 |
SN3O4C18H33 |
AB3C4D18E33 |
-208.61 |
7.72 |
-9.19 |
0.24 |
0 |
|
|
370335 |
127338107 |
1 |
SN4O4C16H30 |
AB4C4D16E30 |
-186.6 |
7.11 |
-8.75 |
0.2 |
0 |
|
|
370336 |
127338108 |
1 |
SN3O5C17H31 |
AB3C5D17E31 |
-237.51 |
6.26 |
-9.27 |
0.17 |
0 |
|
|
370337 |
127338109 |
1 |
SN3O4C16H29 |
AB3C4D16E29 |
-199.08 |
7.61 |
-9.42 |
0.25 |
0 |
|
|
370338 |
127338110 |
1 |
SN3O5C17H31 |
AB3C5D17E31 |
-238.57 |
8.07 |
-9.31 |
0.29 |
0 |
|
|
370339 |
127338111 |
1 |
SN3O5C17H31 |
AB3C5D17E31 |
-230.93 |
6.14 |
-9.71 |
0.24 |
0 |
|
|
370340 |
127338112 |
1 |
SN3O5C17H31 |
AB3C5D17E31 |
-255.34 |
6.08 |
-9.72 |
0.24 |
0 |
|
|
370341 |
127338113 |
1 |
SN4O4C17H32 |
AB4C4D17E32 |
-187.2 |
6.41 |
-8.92 |
0.22 |
0 |
|
|
370342 |
127338114 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-123.62 |
3.23 |
-8.88 |
0.05 |
0 |
|
|
370343 |
127338139 |
1 |
FO2N4C19H25 |
AB2C4D19E25 |
-109.04 |
6.75 |
-8.91 |
-0.18 |
0 |
|
|
370344 |
127338140 |
1 |
SN2O3C12H20 |
AB2C3D12E20 |
-132.88 |
4.48 |
-9.76 |
0.57 |
0 |
|
|
370345 |
127338150 |
1 |
ON3C15H25 |
AB3C15D25 |
-40.17 |
3.81 |
-8.6 |
1.15 |
0 |
|
|
370346 |
127338181 |
1 |
ON3C14H23 |
AB3C14D23 |
-25.7 |
3.58 |
-8.68 |
1.13 |
0 |
|
|
370347 |
127338182 |
1 |
ON3C15H25 |
AB3C15D25 |
-51.72 |
3.77 |
-8.77 |
1.15 |
0 |
|
|
370348 |
127338187 |
1 |
O3N5C18H31 |
A3B5C18D31 |
-130.67 |
8.66 |
-8.9 |
0.65 |
0 |
|
|
370349 |
127338188 |
1 |
N4O4C15H26 |
A4B4C15D26 |
-187.09 |
6.75 |
-9.31 |
0.69 |
0 |
|
|
370350 |
127338189 |
1 |
O3N5C19H33 |
A3B5C19D33 |
-149.65 |
8.44 |
-8.71 |
0.61 |
0 |
|
|
370351 |
127338190 |
1 |
O3N7C18H29 |
A3B7C18D29 |
-105.85 |
9.79 |
-9.59 |
0.25 |
0 |
|
|
370352 |
127338191 |
1 |
SN5O5C15H27 |
AB5C5D15E27 |
-220.99 |
12.0 |
-9.32 |
0.19 |
0 |
|
|
370353 |
127338213 |
1 |
ON2C14H26 |
AB2C14D26 |
-71.83 |
4.96 |
-8.56 |
1.18 |
0 |
|
|
370354 |
127338214 |
1 |
ON4C21H28 |
AB4C21D28 |
16.15 |
1.06 |
-9.07 |
0.3 |
0 |
|
|
370355 |
127338215 |
1 |
ON4C22H30 |
AB4C22D30 |
-0.28 |
7.55 |
-8.6 |
0.28 |
0 |
|
|
370356 |
127338219 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-103.48 |
3.77 |
-8.92 |
1.01 |
0 |
|
|
370357 |
127338220 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-111.79 |
6.86 |
-8.81 |
0.92 |
0 |
|
|
370358 |
127338221 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-116.08 |
6.64 |
-8.9 |
0.88 |
0 |
|
|
370359 |
127338222 |
1 |
ClO3N4C17H19 |
AB3C4D17E19 |
-64.01 |
6.1 |
-9.88 |
-0.81 |
0 |
|
|
370360 |
127338223 |
1 |
ClN3O3C17H20 |
AB3C3D17E20 |
-65.58 |
5.61 |
-9.74 |
-0.54 |
0 |
|
|
370361 |
127338224 |
1 |
ClN3O3C16H18 |
AB3C3D16E18 |
-58.46 |
3.26 |
-9.82 |
-0.74 |
0 |
|
|
370362 |
127338225 |
1 |
N2O4C19H20 |
A2B4C19D20 |
-104.48 |
2.72 |
-9.17 |
-0.56 |
0 |
|
|
370363 |
127338228 |
1 |
N2O3C20H22 |
A2B3C20D22 |
-88.93 |
2.73 |
-9.13 |
-0.85 |
0 |
|
|
370364 |
127338229 |
1 |
ON3S3C16H17 |
AB3C3D16E17 |
3.89 |
0.47 |
-8.76 |
-1.16 |
0 |
|
|
370365 |
127338230 |
1 |
ON6C14H20 |
AB6C14D20 |
50.95 |
2.38 |
-8.48 |
-0.72 |
0 |
|
|
370366 |
127338236 |
1 |
OS2N5C15H21 |
AB2C5D15E21 |
54.92 |
5.92 |
-8.82 |
-0.37 |
0 |
|
|
370367 |
127338237 |
1 |
SN6C18H26 |
AB6C18D26 |
89.27 |
2.39 |
-8.3 |
-0.7 |
0 |
|
|
370368 |
127338282 |
1 |
ON6C16H24 |
AB6C16D24 |
35.46 |
1.95 |
-8.43 |
-0.62 |
0 |
|
|
370369 |
127338357 |
1 |
ClON3C14H20 |
ABC3D14E20 |
-30.36 |
5.4 |
-8.8 |
-0.53 |
0 |
|
|
370370 |
127338358 |
1 |
N2O2C21H24 |
A2B2C21D24 |
-81.17 |
6.13 |
-9.01 |
-0.75 |
0 |
|
|
370371 |
127338363 |
1 |
SN2O3C22H26 |
AB2C3D22E26 |
-69.36 |
9.34 |
-8.78 |
-0.44 |
0 |
|
|
370372 |
127338364 |
1 |
NO2C16H21 |
AB2C16D21 |
-78.09 |
3.44 |
-8.42 |
0.45 |
0 |
|
|
370373 |
127338365 |
1 |
NOSC16H21 |
ABCD16E21 |
-37.03 |
5.58 |
-8.38 |
0.27 |
0 |
|
|
370374 |
127338366 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-79.48 |
5.13 |
-9.03 |
-0.18 |
0 |
|
|
370375 |
127338367 |
2 |
NOC8H10 |
ABC8D10 |
-70.96 |
3.96 |
-9.01 |
0.11 |
0 |
|
|
370376 |
127338368 |
1 |
O2N3C22H27 |
A2B3C22D27 |
-69.48 |
7.19 |
-8.73 |
-0.85 |
0 |
|
|
370377 |
127338390 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-137.8 |
3.61 |
-9.74 |
-1.26 |
0 |
|
|
370378 |
127338391 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-86.89 |
2.32 |
-8.75 |
-0.02 |
0 |
|
|
370379 |
127338402 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-110.56 |
10.2 |
-8.54 |
-1.07 |
0 |
|
|
370380 |
127338403 |
1 |
FO2N3C18H20 |
AB2C3D18E20 |
-99.7 |
5.3 |
-9.06 |
-1.41 |
0 |
|
|
370381 |
127338408 |
1 |
O4N5C19H25 |
A4B5C19D25 |
-166.79 |
5.16 |
-9.62 |
-1.33 |
0 |
|
|
370382 |
127338409 |
2 |
NO2C11H13 |
AB2C11D13 |
-146.49 |
5.94 |
-8.54 |
-0.75 |
0 |
|
|
370383 |
127338412 |
1 |
N2O3C21H24 |
A2B3C21D24 |
-111.17 |
5.35 |
-8.97 |
-0.72 |
0 |
|
|
370384 |
127338413 |
1 |
O2N4C21H26 |
A2B4C21D26 |
-18.63 |
1.23 |
-8.86 |
-0.43 |
0 |
|
|
370385 |
127338414 |
4 |
NOC5H5 |
ABC5D5 |
-124.6 |
1.77 |
-8.39 |
-1.51 |
0 |
|
|
370386 |
127338419 |
1 |
N2O5C18H22 |
A2B5C18D22 |
-171.73 |
4.83 |
-9.22 |
-0.7 |
0 |
|
|
370387 |
127338420 |
1 |
O3N4C16H24 |
A3B4C16D24 |
-98.19 |
1.52 |
-9.47 |
0.52 |
0 |
|
|
370388 |
127338421 |
1 |
O2F4N4H14C15 |
A2B4C4D14E15 |
-195.85 |
4.17 |
-9.73 |
-1.49 |
0 |
|
|
370389 |
127338426 |
1 |
O2N5C17H23 |
A2B5C17D23 |
7.04 |
5.76 |
-9.56 |
-0.77 |
0 |
|
|
370390 |
127338427 |
2 |
NO2C11H15 |
AB2C11D15 |
-157.55 |
2.53 |
-9.1 |
-0.1 |
0 |
|
|
370391 |
127338434 |
1 |
SN3O3C18H25 |
AB3C3D18E25 |
-101.61 |
2.54 |
-8.86 |
-0.78 |
0 |