List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
316181 |
126630320 |
1 |
N5O6C31H43 |
A5B6C31D43 |
-208.68 |
5.27 |
-9.12 |
-0.69 |
0 |
|
|
316182 |
126630325 |
1 |
N5O6C35H47 |
A5B6C35D47 |
-212.46 |
8.75 |
-9.19 |
-0.94 |
0 |
|
|
316185 |
126630329 |
1 |
N5O6C35H47 |
A5B6C35D47 |
-213.65 |
10.38 |
-9.32 |
-1.01 |
0 |
|
|
316186 |
126630330 |
1 |
N5O6C31H43 |
A5B6C31D43 |
-226.55 |
6.41 |
-9.12 |
-0.76 |
0 |
|
|
316187 |
126630331 |
1 |
Cl3N6O6H51C52 |
A3B6C6D51E52 |
-124.14 |
4.22 |
-8.91 |
-0.66 |
0 |
|
|
316189 |
126630335 |
6 |
NC3H4 |
AB3C4 |
58.23 |
2.9 |
-8.33 |
0.09 |
0 |
|
|
316190 |
126630336 |
2 |
ON2C13H15 |
AB2C13D15 |
-26.98 |
6.58 |
-8.63 |
-0.61 |
0 |
|
|
316191 |
126630337 |
1 |
ON6C18H24 |
AB6C18D24 |
0.89 |
4.99 |
-8.38 |
-0.08 |
0 |
|
|
316192 |
126630340 |
1 |
SO5N6C16H24 |
AB5C6D16E24 |
-178.81 |
4.99 |
-8.2 |
-0.16 |
0 |
|
|
316194 |
126630345 |
1 |
SO4N5C14H19 |
AB4C5D14E19 |
-104.74 |
2.37 |
-8.26 |
-0.25 |
0 |
|
|
316195 |
126630346 |
1 |
SO4N5C16H23 |
AB4C5D16E23 |
-138.33 |
3.06 |
-8.2 |
-0.17 |
0 |
|
|
316196 |
126630347 |
1 |
SO5N6C21H32 |
AB5C6D21E32 |
-190.9 |
5.65 |
-8.01 |
-0.04 |
0 |
|
|
316197 |
126630348 |
1 |
SO5N6C18H28 |
AB5C6D18E28 |
-173.74 |
1.49 |
-7.97 |
0.0 |
0 |
|
|
316198 |
126630349 |
1 |
SN5O6C17H25 |
AB5C6D17E25 |
-214.5 |
6.55 |
-8.05 |
-0.26 |
0 |
|
|
316201 |
126630354 |
1 |
N5O5C31H43 |
A5B5C31D43 |
-197.57 |
4.25 |
-8.83 |
-0.5 |
0 |
|
|
316203 |
126630364 |
1 |
N3H33C49 |
A3B33C49 |
218.48 |
2.2 |
-7.94 |
-0.5 |
0 |
|
|
316204 |
126630372 |
2 |
NH17C25 |
AB17C25 |
209.6 |
0.95 |
-8.14 |
-0.59 |
0 |
|
|
316205 |
126630373 |
1 |
N3H33C49 |
A3B33C49 |
219.01 |
2.36 |
-7.89 |
-0.4 |
0 |
|
|
316206 |
126630374 |
1 |
N3H33C49 |
A3B33C49 |
216.68 |
3.86 |
-8.18 |
-0.56 |
0 |
|
|
316209 |
126630378 |
1 |
N3H33C49 |
A3B33C49 |
216.05 |
3.48 |
-8.11 |
-0.59 |
0 |
|
|
316210 |
126630379 |
1 |
N3H33C49 |
A3B33C49 |
217.98 |
3.61 |
-8.07 |
-0.49 |
0 |
|
|
316211 |
126630380 |
1 |
N3H33C49 |
A3B33C49 |
216.4 |
1.42 |
-8.15 |
-0.66 |
0 |
|
|
316213 |
126630387 |
1 |
N3H33C49 |
A3B33C49 |
217.71 |
1.61 |
-7.84 |
-0.67 |
0 |
|
|
316214 |
126630392 |
1 |
N3H33C49 |
A3B33C49 |
216.89 |
2.75 |
-8.04 |
-0.55 |
0 |
|
|
316215 |
126630393 |
1 |
N3H33C49 |
A3B33C49 |
216.99 |
2.47 |
-8.01 |
-0.48 |
0 |
|
|
316216 |
126630397 |
1 |
N3H33C49 |
A3B33C49 |
216.66 |
3.1 |
-8.07 |
-0.44 |
0 |
|
|
316217 |
126630400 |
1 |
N3H33C49 |
A3B33C49 |
217.5 |
3.18 |
-8.04 |
-0.5 |
0 |
|
|
316218 |
126630406 |
1 |
N3H33C49 |
A3B33C49 |
216.63 |
1.8 |
-8.1 |
-0.58 |
0 |
|
|
316221 |
126630412 |
1 |
N3H35C53 |
A3B35C53 |
234.61 |
0.74 |
-7.82 |
-0.72 |
0 |
|
|
316222 |
126630413 |
2 |
NH18C27 |
AB18C27 |
226.0 |
1.8 |
-7.91 |
-0.51 |
0 |
|
|
316223 |
126630414 |
1 |
N3H35C53 |
A3B35C53 |
233.87 |
1.66 |
-7.93 |
-0.53 |
0 |
|
|
316225 |
126630417 |
2 |
NH18C27 |
AB18C27 |
226.07 |
1.8 |
-7.93 |
-0.67 |
0 |
|
|
316226 |
126630418 |
1 |
N3H33C49 |
A3B33C49 |
220.34 |
0.63 |
-8.15 |
-0.41 |
0 |
|
|
316227 |
126630420 |
1 |
N3H37C57 |
A3B37C57 |
249.51 |
0.93 |
-7.88 |
-0.78 |
0 |
|
|
316228 |
126630421 |
1 |
N3H35C53 |
A3B35C53 |
234.02 |
3.36 |
-7.94 |
-0.54 |
0 |
|
|
316232 |
126630425 |
1 |
O5N6C29H40 |
A5B6C29D40 |
-180.29 |
3.2 |
-9.39 |
-0.96 |
0 |
|
|
316233 |
126630426 |
1 |
N3H37C57 |
A3B37C57 |
251.45 |
2.13 |
-7.85 |
-0.64 |
0 |
|
|
316234 |
126630427 |
1 |
N3H37C57 |
A3B37C57 |
248.34 |
3.3 |
-7.91 |
-0.62 |
0 |
|
|
316235 |
126630428 |
1 |
N3H35C53 |
A3B35C53 |
233.67 |
2.49 |
-7.82 |
-0.48 |
0 |
|
|
316236 |
126630429 |
1 |
NO4C22H27 |
AB4C22D27 |
-153.67 |
2.23 |
-9.37 |
-0.9 |
0 |
|
|
316238 |
126630431 |
1 |
N11H103C166 |
A11B103C166 |
786.27 |
4.23 |
-7.8 |
-1.22 |
0 |
|
|
316239 |
126630432 |
3 |
N4H34C55 |
A4B34C55 |
799.27 |
1.24 |
-7.84 |
-1.43 |
0 |
|
|
316240 |
126630433 |
1 |
N11H103C166 |
A11B103C166 |
783.88 |
2.65 |
-7.9 |
-1.21 |
0 |
|
|
316241 |
126630434 |
1 |
N11H103C166 |
A11B103C166 |
784.09 |
2.17 |
-7.87 |
-1.15 |
0 |
|
|
316243 |
126630436 |
3 |
N4H34C55 |
A4B34C55 |
797.09 |
2.78 |
-7.89 |
-1.35 |
0 |
|
|
316245 |
126630440 |
1 |
N11H105C170 |
A11B105C170 |
804.93 |
2.74 |
-7.86 |
-1.46 |
0 |
|
|
316246 |
126630441 |
1 |
N11H103C166 |
A11B103C166 |
783.1 |
3.41 |
-7.9 |
-1.08 |
0 |
|
|
316247 |
126630442 |
1 |
N11H105C170 |
A11B105C170 |
803.01 |
1.09 |
-7.82 |
-1.42 |
0 |
|
|
316248 |
126630443 |
1 |
N11H105C170 |
A11B105C170 |
803.04 |
2.06 |
-7.9 |
-1.4 |
0 |
|
|
316249 |
126630444 |
1 |
N11H105C170 |
A11B105C170 |
801.85 |
3.14 |
-7.88 |
-1.36 |
0 |
|
|
316250 |
126630447 |
1 |
N11H105C170 |
A11B105C170 |
801.05 |
3.46 |
-7.9 |
-1.41 |
0 |
|
|
316251 |
126630449 |
1 |
N11H105C170 |
A11B105C170 |
802.95 |
2.02 |
-7.88 |
-1.37 |
0 |
|
|
316253 |
126630467 |
1 |
N11H105C170 |
A11B105C170 |
793.89 |
3.21 |
-8.05 |
-1.36 |
0 |
|
|
316255 |
126630474 |
1 |
N10H106C171 |
A10B106C171 |
794.57 |
3.99 |
-8.05 |
-1.54 |
0 |
|
|
316256 |
126630477 |
1 |
N11H103C166 |
A11B103C166 |
781.96 |
2.35 |
-8.04 |
-1.25 |
0 |
|
|
316259 |
126630492 |
1 |
NO2C8H17 |
AB2C8D17 |
-114.68 |
2.65 |
-9.74 |
0.79 |
0 |
|
|
316261 |
126630499 |
1 |
N11H91C148 |
A11B91C148 |
712.66 |
0.74 |
-8.08 |
-0.99 |
0 |
|
|
316263 |
126630503 |
1 |
N11H105C170 |
A11B105C170 |
835.16 |
2.54 |
-7.79 |
-1.32 |
0 |
|
|
316264 |
126630505 |
1 |
N11H103C166 |
A11B103C166 |
796.12 |
3.36 |
-7.95 |
-1.28 |
0 |
|
|
316265 |
126630510 |
1 |
N11H105C170 |
A11B105C170 |
802.75 |
2.73 |
-7.81 |
-1.3 |
0 |
|
|
316266 |
126630518 |
1 |
N11H105C170 |
A11B105C170 |
798.63 |
3.56 |
-7.99 |
-1.37 |
0 |
|
|
316268 |
126630524 |
1 |
N11H103C166 |
A11B103C166 |
782.2 |
3.13 |
-7.99 |
-1.06 |
0 |
|
|
316270 |
126630536 |
1 |
N11H99C160 |
A11B99C160 |
756.46 |
0.78 |
-8.05 |
-1.3 |
0 |
|
|
316271 |
126630556 |
1 |
N11H105C170 |
A11B105C170 |
860.27 |
15.72 |
-6.67 |
-2.23 |
0 |
|
|
316272 |
126630557 |
1 |
N11H103C166 |
A11B103C166 |
780.29 |
2.81 |
-8.12 |
-1.24 |
0 |
|
|
316275 |
126630561 |
1 |
N11H103C166 |
A11B103C166 |
852.58 |
1.59 |
-7.92 |
-0.87 |
0 |
|
|
316276 |
126630562 |
1 |
N11H105C170 |
A11B105C170 |
798.18 |
3.89 |
-8.16 |
-1.48 |
0 |
|
|
316277 |
126630563 |
3 |
N4H34C55 |
A4B34C55 |
885.21 |
3.06 |
-7.29 |
-1.32 |
0 |
|
|
316279 |
126630565 |
1 |
N11H105C170 |
A11B105C170 |
797.01 |
6.79 |
-7.9 |
-1.37 |
0 |
|
|
316280 |
126630566 |
1 |
N11H103C166 |
A11B103C166 |
780.24 |
3.62 |
-8.11 |
-1.28 |
0 |
|
|
316281 |
126630567 |
1 |
N4O6C25H42 |
A4B6C25D42 |
-274.05 |
3.87 |
-9.19 |
0.25 |
0 |
|
|
316282 |
126630568 |
1 |
N11H105C170 |
A11B105C170 |
803.51 |
2.68 |
-8.05 |
-1.46 |
0 |
|
|
316288 |
126630580 |
1 |
N11H91C148 |
A11B91C148 |
714.5 |
3.59 |
-7.99 |
-0.91 |
0 |
|
|
316289 |
126630581 |
3 |
N4H30C49 |
A4B30C49 |
729.89 |
2.72 |
-8.06 |
-1.0 |
0 |
|
|
316290 |
126630582 |
1 |
N11H105C170 |
A11B105C170 |
897.11 |
10.39 |
-7.84 |
-1.49 |
0 |