List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
363389 |
127310926 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-13.37 |
1.81 |
-8.82 |
-0.95 |
0 |
|
|
363390 |
127310927 |
1 |
O2N5C17H21 |
A2B5C17D21 |
17.96 |
4.87 |
-9.14 |
-1.02 |
0 |
|
|
363391 |
127310928 |
1 |
SO2N6C17H20 |
AB2C6D17E20 |
32.77 |
8.07 |
-9.02 |
-1.27 |
0 |
|
|
363392 |
127310929 |
1 |
SN4O4C17H26 |
AB4C4D17E26 |
-155.71 |
7.59 |
-9.86 |
0.2 |
0 |
|
|
363393 |
127310930 |
1 |
SO2N3C21H29 |
AB2C3D21E29 |
-70.67 |
1.16 |
-8.45 |
-0.56 |
0 |
|
|
363394 |
127310931 |
1 |
OSN5C14H23 |
ABC5D14E23 |
2.58 |
4.64 |
-8.44 |
-0.61 |
0 |
|
|
363395 |
127310932 |
1 |
OSN5C20H27 |
ABC5D20E27 |
22.81 |
2.73 |
-8.5 |
-1.27 |
0 |
|
|
363396 |
127310933 |
1 |
OSN4C20H28 |
ABC4D20E28 |
-5.96 |
6.34 |
-8.55 |
-0.34 |
0 |
|
|
363397 |
127310934 |
1 |
SO2N3C16H27 |
AB2C3D16E27 |
-109.99 |
1.36 |
-8.49 |
0.62 |
0 |
|
|
363398 |
127310935 |
1 |
OS2N6C17H24 |
AB2C6D17E24 |
33.03 |
2.42 |
-8.47 |
-1.64 |
0 |
|
|
363399 |
127310937 |
1 |
O2S2N4C17H26 |
A2B2C4D17E26 |
-68.15 |
5.42 |
-8.23 |
-0.91 |
0 |
|
|
363400 |
127310938 |
1 |
SO2N3C21H29 |
AB2C3D21E29 |
-90.12 |
4.14 |
-8.45 |
-0.62 |
0 |
|
|
363401 |
127310939 |
1 |
OSN4C21H30 |
ABC4D21E30 |
-15.58 |
5.18 |
-8.54 |
-0.3 |
0 |
|
|
363402 |
127310940 |
1 |
OS2N4C17H28 |
AB2C4D17E28 |
-36.86 |
4.02 |
-8.6 |
-0.29 |
0 |
|
|
363403 |
127310941 |
1 |
OS2N4C19H30 |
AB2C4D19E30 |
-42.43 |
6.0 |
-8.33 |
-0.63 |
0 |
|
|
363404 |
127310942 |
1 |
OSN4C20H28 |
ABC4D20E28 |
-2.6 |
7.58 |
-8.63 |
-0.4 |
0 |
|
|
363405 |
127310943 |
1 |
SO2N3C21H37 |
AB2C3D21E37 |
-135.24 |
4.18 |
-8.69 |
0.56 |
0 |
|
|
363406 |
127310944 |
1 |
ClSO2N3C18H28 |
ABC2D3E18F28 |
-65.55 |
3.55 |
-8.66 |
-0.28 |
0 |
|
|
363407 |
127310945 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-96.98 |
6.42 |
-8.68 |
-0.04 |
0 |
|
|
363408 |
127310946 |
1 |
SO2N3C21H27 |
AB2C3D21E27 |
-66.0 |
3.78 |
-8.59 |
-0.85 |
0 |
|
|
363409 |
127310947 |
1 |
SO2N3C21H37 |
AB2C3D21E37 |
-136.52 |
7.25 |
-8.49 |
0.72 |
0 |
|
|
363410 |
127310962 |
1 |
S2N3O4C14H19 |
A2B3C4D14E19 |
-135.01 |
4.13 |
-9.27 |
-0.66 |
0 |
|
|
363411 |
127310963 |
1 |
S2N3O3C16H23 |
A2B3C3D16E23 |
-94.02 |
5.58 |
-8.39 |
0.08 |
0 |
|
|
363412 |
127310964 |
1 |
S2N3O4C13H23 |
A2B3C4D13E23 |
-179.46 |
6.29 |
-9.01 |
-0.22 |
0 |
|
|
363413 |
127311216 |
2 |
ON3C9H14 |
AB3C9D14 |
-29.87 |
2.87 |
-8.6 |
-1.19 |
0 |
|
|
363414 |
127311217 |
1 |
FN2O3C22H29 |
AB2C3D22E29 |
-179.82 |
5.75 |
-9.04 |
-0.54 |
0 |
|
|
363415 |
127311218 |
1 |
O2N6C17H26 |
A2B6C17D26 |
-23.02 |
2.91 |
-8.59 |
-1.19 |
0 |
|
|
363416 |
127311219 |
2 |
ON3C8H12 |
AB3C8D12 |
-18.97 |
3.07 |
-8.62 |
-1.19 |
0 |
|
|
363417 |
127311220 |
1 |
SO2N4C21H26 |
AB2C4D21E26 |
-28.53 |
5.41 |
-9.07 |
-0.67 |
0 |
|
|
363418 |
127311221 |
1 |
SO2N4C20H30 |
AB2C4D20E30 |
-67.04 |
5.32 |
-8.62 |
-0.39 |
0 |
|
|
363419 |
127311222 |
1 |
O2N3C24H35 |
A2B3C24D35 |
-102.53 |
3.51 |
-8.4 |
0.31 |
0 |
|
|
363420 |
127311223 |
1 |
SN3O4C18H31 |
AB3C4D18E31 |
-197.11 |
1.98 |
-9.23 |
0.62 |
0 |
|
|
363421 |
127311224 |
1 |
O2N3C22H27 |
A2B3C22D27 |
-60.47 |
7.24 |
-9.21 |
-0.81 |
0 |
|
|
363422 |
127311225 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-62.38 |
3.63 |
-8.05 |
-0.46 |
0 |
|
|
363423 |
127311226 |
2 |
ON3C8H12 |
AB3C8D12 |
-13.13 |
3.08 |
-8.48 |
-1.2 |
0 |
|
|
363424 |
127311227 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-63.71 |
4.23 |
-8.59 |
-0.27 |
0 |
|
|
363425 |
127311228 |
1 |
SO2N7C14H21 |
AB2C7D14E21 |
23.95 |
5.11 |
-9.02 |
-1.36 |
0 |
|
|
363426 |
127311229 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-132.52 |
2.49 |
-8.48 |
0.28 |
0 |
|
|
363427 |
127311230 |
1 |
O2S2N3C14H17 |
A2B2C3D14E17 |
-18.66 |
4.52 |
-8.86 |
-1.42 |
0 |
|
|
363428 |
127311231 |
1 |
N3O3C18H31 |
A3B3C18D31 |
-158.35 |
0.47 |
-8.81 |
1.12 |
0 |
|
|
363429 |
127311232 |
1 |
OS2N4C16H16 |
AB2C4D16E16 |
49.59 |
6.68 |
-9.05 |
-1.22 |
0 |
|
|
363430 |
127311233 |
1 |
OS2N4C16H16 |
AB2C4D16E16 |
52.84 |
5.14 |
-8.98 |
-1.49 |
0 |
|
|
363431 |
127311234 |
1 |
SN3O4C19H33 |
AB3C4D19E33 |
-211.9 |
3.24 |
-9.33 |
0.49 |
0 |
|
|
363432 |
127311235 |
1 |
O2N3C20H35 |
A2B3C20D35 |
-132.28 |
2.13 |
-8.62 |
1.16 |
0 |
|
|
363433 |
127311236 |
1 |
SN4O4C13H20 |
AB4C4D13E20 |
-134.04 |
6.22 |
-9.04 |
-0.39 |
0 |
|
|
363434 |
127311237 |
1 |
N2O3C22H30 |
A2B3C22D30 |
-132.64 |
5.77 |
-9.01 |
-0.18 |
0 |
|
|
363435 |
127311238 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-88.63 |
5.28 |
-9.4 |
0.46 |
0 |
|
|
363436 |
127311239 |
1 |
N4O4C19H28 |
A4B4C19D28 |
-187.6 |
4.13 |
-9.36 |
-0.45 |
0 |
|
|
363437 |
127311240 |
1 |
O3N5C20H31 |
A3B5C20D31 |
-88.5 |
3.61 |
-9.3 |
-0.43 |
0 |
|
|
363438 |
127311241 |
1 |
N3O3C20H35 |
A3B3C20D35 |
-169.69 |
3.93 |
-9.17 |
1.05 |
0 |
|
|
363439 |
127311242 |
1 |
O3N4C20H28 |
A3B4C20D28 |
-127.7 |
4.55 |
-9.11 |
-0.26 |
0 |
|
|
363440 |
127311243 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-114.46 |
4.42 |
-9.24 |
-0.67 |
0 |
|
|
363441 |
127311244 |
1 |
N2O3C21H28 |
A2B3C21D28 |
-138.94 |
3.55 |
-8.1 |
0.26 |
0 |
|
|
363442 |
127311245 |
1 |
N2O3C19H32 |
A2B3C19D32 |
-177.52 |
4.98 |
-9.44 |
0.86 |
0 |
|
|
363443 |
127311246 |
1 |
SO2N4C21H26 |
AB2C4D21E26 |
-37.14 |
4.59 |
-9.24 |
-1.34 |
0 |
|
|
363444 |
127311247 |
1 |
N3O3C19H33 |
A3B3C19D33 |
-153.49 |
4.9 |
-8.95 |
1.07 |
0 |
|
|
363445 |
127311248 |
1 |
O2N5C19H29 |
A2B5C19D29 |
-78.57 |
4.46 |
-9.36 |
0.43 |
0 |
|
|
363446 |
127311249 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-105.36 |
2.88 |
-8.43 |
-0.65 |
0 |
|
|
363447 |
127311250 |
1 |
N3S3O4C15H17 |
A3B3C4D15E17 |
-109.1 |
7.94 |
-9.41 |
-1.72 |
0 |
|
|
363448 |
127311251 |
1 |
N3O3C20H35 |
A3B3C20D35 |
-168.02 |
2.1 |
-8.86 |
1.07 |
0 |
|
|
363449 |
127311252 |
1 |
O3N4C21H32 |
A3B4C21D32 |
-108.31 |
1.68 |
-9.08 |
-0.16 |
0 |
|
|
363450 |
127311253 |
1 |
ON2C11H22 |
AB2C11D22 |
-69.35 |
3.47 |
-8.95 |
1.22 |
0 |
|
|
363451 |
127311254 |
1 |
N3O3C19H33 |
A3B3C19D33 |
-162.09 |
2.4 |
-8.95 |
1.06 |
0 |
|
|
363452 |
127311255 |
2 |
ON3C8H13 |
AB3C8D13 |
-60.94 |
6.31 |
-9.36 |
0.22 |
0 |
|
|
363453 |
127311256 |
1 |
ON5C10H17 |
AB5C10D17 |
0.34 |
6.65 |
-9.55 |
0.34 |
0 |
|
|
363454 |
127311257 |
1 |
OS2N5C15H15 |
AB2C5D15E15 |
73.3 |
6.02 |
-9.26 |
-1.55 |
0 |
|
|
363455 |
127311258 |
1 |
O2N5C19H29 |
A2B5C19D29 |
-62.7 |
4.32 |
-9.28 |
0.11 |
0 |
|
|
363456 |
127311259 |
1 |
O3N6C16H24 |
A3B6C16D24 |
-110.77 |
6.93 |
-9.96 |
-0.16 |
0 |
|
|
363457 |
127311260 |
1 |
OSN5C13H17 |
ABC5D13E17 |
42.79 |
4.18 |
-9.77 |
-1.0 |
0 |
|
|
363458 |
127311261 |
1 |
O3N6C15H22 |
A3B6C15D22 |
-82.93 |
3.68 |
-10.04 |
-0.32 |
0 |
|
|
363459 |
127311262 |
1 |
O3N6C15H22 |
A3B6C15D22 |
-101.79 |
7.28 |
-9.99 |
-0.25 |
0 |
|
|
363460 |
127311263 |
1 |
ON6C14H20 |
AB6C14D20 |
43.32 |
6.76 |
-9.83 |
0.05 |
0 |
|
|
363461 |
127311264 |
1 |
S2O4N5C15H21 |
A2B4C5D15E21 |
-93.28 |
7.14 |
-9.5 |
-1.49 |
0 |
|
|
363462 |
127311265 |
1 |
O2S2N3C18H23 |
A2B2C3D18E23 |
-29.44 |
4.55 |
-8.81 |
-1.46 |
0 |
|
|
363463 |
127311266 |
1 |
N3O3C22H37 |
A3B3C22D37 |
-169.8 |
5.28 |
-8.98 |
1.02 |
0 |
|
|
363464 |
127311267 |
1 |
N3O3C20H35 |
A3B3C20D35 |
-166.98 |
6.13 |
-8.84 |
1.03 |
0 |
|
|
363465 |
127311268 |
1 |
N3O3C20H33 |
A3B3C20D33 |
-175.85 |
4.83 |
-9.27 |
1.0 |
0 |
|
|
363466 |
127311269 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-104.34 |
6.97 |
-9.3 |
-0.48 |
0 |
|
|
363467 |
127311270 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-86.43 |
4.8 |
-8.66 |
0.0 |
0 |
|
|
363468 |
127311271 |
1 |
O2N3C19H33 |
A2B3C19D33 |
-128.47 |
3.49 |
-8.73 |
0.92 |
0 |
|
|
363469 |
127311272 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-50.07 |
8.47 |
-9.08 |
0.22 |
0 |
|
|
363470 |
127311273 |
1 |
OS2N4C18H20 |
AB2C4D18E20 |
48.84 |
4.1 |
-8.87 |
-1.29 |
0 |
|
|
363471 |
127311274 |
2 |
ON2C11H17 |
AB2C11D17 |
-91.96 |
8.61 |
-9.18 |
0.43 |
0 |
|
|
363472 |
127311275 |
2 |
ON2C11H17 |
AB2C11D17 |
-98.81 |
5.23 |
-9.14 |
0.6 |
0 |
|
|
363473 |
127311276 |
1 |
OS2N4C17H18 |
AB2C4D17E18 |
57.9 |
5.85 |
-9.02 |
-1.01 |
0 |
|
|
363474 |
127311277 |
1 |
O2N4C21H32 |
A2B4C21D32 |
-82.19 |
4.08 |
-9.01 |
0.67 |
0 |
|
|
363475 |
127311278 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-34.36 |
6.99 |
-9.11 |
-0.02 |
0 |
|
|
363476 |
127311279 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-77.45 |
4.27 |
-8.94 |
0.72 |
0 |
|
|
363477 |
127311280 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-67.35 |
2.86 |
-8.82 |
0.62 |
0 |
|
|
363478 |
127311281 |
1 |
N2O3C22H30 |
A2B3C22D30 |
-143.81 |
3.31 |
-8.48 |
0.28 |
0 |
|
|
363479 |
127311282 |
1 |
N2O3C17H28 |
A2B3C17D28 |
-167.46 |
3.73 |
-9.07 |
1.09 |
0 |
|
|
363480 |
127311283 |
1 |
O2N5C22H33 |
A2B5C22D33 |
-73.13 |
9.98 |
-9.03 |
0.8 |
0 |
|
|
363481 |
127311284 |
1 |
ClO2N3C17H24 |
AB2C3D17E24 |
-80.56 |
3.57 |
-8.9 |
-0.79 |
0 |
|
|
363482 |
127311285 |
1 |
O2N3C21H35 |
A2B3C21D35 |
-128.41 |
2.49 |
-8.88 |
1.04 |
0 |
|
|
363483 |
127311286 |
2 |
ON2C11H15 |
AB2C11D15 |
-24.52 |
3.53 |
-8.85 |
-0.51 |
0 |
|
|
363484 |
127311287 |
1 |
SO2N6C17H26 |
AB2C6D17E26 |
-9.6 |
3.42 |
-8.26 |
-0.51 |
0 |
|
|
363485 |
127311288 |
1 |
O3N5C18H29 |
A3B5C18D29 |
-97.82 |
4.61 |
-8.77 |
-0.46 |
0 |
|
|
363486 |
127311289 |
1 |
FO2N4C21H27 |
AB2C4D21E27 |
-65.0 |
4.29 |
-8.77 |
-0.47 |
0 |
|
|
363487 |
127311290 |
1 |
O3N5C17H27 |
A3B5C17D27 |
-90.97 |
3.05 |
-8.78 |
-0.42 |
0 |
|
|
363488 |
127311291 |
1 |
O3N6C19H32 |
A3B6C19D32 |
-87.63 |
2.59 |
-8.94 |
-0.31 |
0 |