List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
19331 |
561664 |
1 |
O3C13H16 |
A3B13C16 |
-110.19 |
3.18 |
-9.46 |
0.09 |
0 |
|
|
19332 |
561719 |
1 |
ClO2C10H17 |
AB2C10D17 |
-132.18 |
2.66 |
-10.85 |
0.48 |
0 |
|
|
19333 |
561855 |
1 |
OC9H10 |
AB9C10 |
-12.82 |
2.94 |
-10.06 |
0.68 |
0 |
|
|
19334 |
561876 |
1 |
OC11H14 |
AB11C14 |
-16.12 |
1.9 |
-9.35 |
0.39 |
0 |
|
|
19335 |
561896 |
1 |
FNSO2H18C20 |
ABCD2E18F20 |
-51.02 |
3.58 |
-9.43 |
-0.82 |
0 |
|
|
19336 |
561920 |
1 |
SN2O2C22H28 |
AB2C2D22E28 |
-69.67 |
2.93 |
-8.94 |
-0.14 |
0 |
|
|
19337 |
561943 |
1 |
OC12H16 |
AB12C16 |
55.93 |
2.44 |
-9.17 |
1.23 |
0 |
|
|
19338 |
561968 |
2 |
OC7H10 |
AB7C10 |
-99.0 |
1.66 |
-9.35 |
0.37 |
0 |
|
|
19339 |
561973 |
1 |
NOH13C14 |
ABC13D14 |
55.5 |
0.36 |
-9.05 |
-0.27 |
0 |
|
|
19340 |
561975 |
1 |
NO2S3C27H31 |
AB2C3D27E31 |
-29.51 |
5.86 |
-8.31 |
-0.52 |
0 |
|
|
19341 |
561989 |
1 |
NO3C8H9 |
AB3C8D9 |
-38.3 |
4.8 |
-10.22 |
-1.29 |
0 |
|
|
19342 |
562002 |
1 |
C11H14 |
A11B14 |
25.26 |
0.31 |
-9.3 |
0.43 |
0 |
|
|
19343 |
562004 |
1 |
O2C17H26 |
A2B17C26 |
-110.39 |
1.84 |
-9.52 |
0.25 |
0 |
|
|
19344 |
562041 |
1 |
NO8H41C43 |
AB8C41D43 |
-203.36 |
5.86 |
-9.29 |
-0.8 |
0 |
|
|
19345 |
562193 |
3 |
O2C9H10 |
A2B9C10 |
-186.85 |
1.68 |
-9.32 |
-0.04 |
0 |
|
|
19346 |
562194 |
1 |
O5C10H12 |
A5B10C12 |
-198.01 |
3.2 |
-9.91 |
-0.51 |
0 |
|
|
19347 |
562199 |
1 |
OC15H20 |
AB15C20 |
-27.38 |
1.85 |
-9.26 |
0.38 |
0 |
|
|
19348 |
562206 |
1 |
O3C16H24 |
A3B16C24 |
-135.06 |
1.56 |
-9.33 |
0.37 |
0 |
|
|
19349 |
562279 |
1 |
NO2C11H13 |
AB2C11D13 |
-51.57 |
1.98 |
-9.61 |
0.0 |
0 |
|
|
19350 |
562298 |
1 |
NO2C21H31 |
AB2C21D31 |
-108.4 |
5.84 |
-9.49 |
0.15 |
0 |
|
|
19351 |
562302 |
1 |
OSN2C22H26 |
ABC2D22E26 |
16.43 |
6.24 |
-8.33 |
-0.22 |
0 |
|
|
19352 |
562324 |
1 |
SiO3C14H22 |
AB3C14D22 |
-174.45 |
2.39 |
-9.42 |
0.28 |
0 |
|
|
19353 |
562334 |
1 |
O2C25H40 |
A2B25C40 |
-123.23 |
1.17 |
-8.73 |
0.65 |
0 |
|
|
19355 |
562378 |
1 |
ON2F3H15C19 |
AB2C3D15E19 |
-110.95 |
6.4 |
-8.9 |
-1.08 |
0 |
|
|
19356 |
562480 |
2 |
O2C5H6 |
A2B5C6 |
-141.14 |
7.3 |
-9.19 |
-0.11 |
0 |
|
|
19357 |
562499 |
2 |
NC7H9 |
AB7C9 |
40.45 |
3.37 |
-8.96 |
0.28 |
0 |
|
|
19358 |
562580 |
1 |
C11H14 |
A11B14 |
25.27 |
0.27 |
-8.86 |
0.44 |
0 |
|
|
19359 |
562606 |
2 |
ON2H8C9 |
AB2C8D9 |
39.28 |
6.5 |
-8.65 |
-1.51 |
0 |
|
|
19360 |
562721 |
1 |
NPSO5C24H26 |
ABCD5E24F26 |
-197.29 |
0.56 |
-8.58 |
-0.13 |
0 |
|
|
19361 |
562732 |
2 |
NO2C14H15 |
AB2C14D15 |
-81.47 |
4.07 |
-8.83 |
-0.19 |
0 |
|
|
19362 |
562735 |
1 |
N4H6C7 |
A4B6C7 |
87.94 |
7.3 |
-9.42 |
-1.16 |
0 |
|
|
19363 |
562739 |
1 |
BrN2O2C16H17 |
AB2C2D16E17 |
-10.22 |
2.75 |
-8.88 |
-0.88 |
0 |
|
|
19365 |
562742 |
1 |
OC15H20 |
AB15C20 |
-47.77 |
3.32 |
-9.43 |
0.28 |
0 |
|
|
19366 |
562745 |
1 |
N2O2H16C17 |
A2B2C16D17 |
-36.9 |
5.27 |
-8.95 |
-0.3 |
0 |
|
|
19367 |
562746 |
1 |
OSi2C13H24 |
AB2C13D24 |
-119.99 |
0.95 |
-9.09 |
0.28 |
0 |
|
|
19368 |
562747 |
1 |
SN3O3H13C15 |
AB3C3D13E15 |
-5.66 |
3.49 |
-9.28 |
-1.28 |
0 |
|
|
19369 |
562767 |
1 |
SN2O6H14C15 |
AB2C6D14E15 |
-119.14 |
4.99 |
-9.9 |
-2.18 |
0 |
|
|
19370 |
562768 |
1 |
BO2C8H9 |
AB2C8D9 |
-121.62 |
2.2 |
-9.49 |
0.17 |
0 |
|
|
19371 |
562769 |
1 |
O2H8C9 |
A2B8C9 |
-42.97 |
4.81 |
-10.02 |
-0.69 |
0 |
|
|
19372 |
562770 |
1 |
NO2C10H13 |
AB2C10D13 |
-31.27 |
2.95 |
-8.86 |
0.18 |
0 |
|
|
19373 |
562771 |
1 |
C11H16 |
A11B16 |
70.54 |
0.93 |
-9.29 |
0.3 |
0 |
|
|
19374 |
562772 |
1 |
O2H8C9 |
A2B8C9 |
-11.21 |
1.12 |
-10.48 |
-1.98 |
0 |
|
|
19375 |
562776 |
1 |
NOC13H17 |
ABC13D17 |
-27.93 |
3.42 |
-9.5 |
0.2 |
0 |
|
|
19376 |
562777 |
1 |
FeO5H10C12 |
AB5C10D12 |
-12.18 |
2.74 |
-7.23 |
0.68 |
-4 |
|
|
19377 |
562779 |
1 |
NS2F3H10C11 |
AB2C3D10E11 |
-118.28 |
6.09 |
-8.87 |
-0.84 |
0 |
|
|
19378 |
562780 |
3 |
NOC6H7 |
ABC6D7 |
-83.03 |
5.14 |
-9.58 |
-0.01 |
0 |
|
|
19379 |
562782 |
1 |
ON2S2H14C16 |
AB2C2D14E16 |
63.42 |
2.0 |
-8.68 |
-1.1 |
0 |
|
|
19380 |
562783 |
1 |
N2S3H14C16 |
A2B3C14D16 |
108.02 |
1.08 |
-8.69 |
-1.1 |
0 |
|
|
19381 |
562785 |
1 |
NO5C15H17 |
AB5C15D17 |
-164.48 |
2.91 |
-9.68 |
0.02 |
0 |
|
|
19382 |
562787 |
1 |
ClSO3C10H13 |
ABC3D10E13 |
-133.51 |
7.92 |
-9.61 |
-0.71 |
0 |
|
|
19383 |
562794 |
1 |
SN3C15H15 |
AB3C15D15 |
74.66 |
3.81 |
-8.77 |
-0.51 |
0 |
|
|
19384 |
562827 |
1 |
SO7C13H16 |
AB7C13D16 |
-276.64 |
6.33 |
-10.1 |
-0.83 |
0 |
|
|
19385 |
562868 |
1 |
S2O9C27H28 |
A2B9C27D28 |
-302.49 |
10.16 |
-9.29 |
-0.64 |
0 |
|
|
19386 |
562869 |
1 |
BrNSO2H12C15 |
ABCD2E12F15 |
-16.37 |
7.08 |
-8.85 |
-0.87 |
0 |
|
|
19387 |
562871 |
1 |
SN2O3C13H20 |
AB2C3D13E20 |
-105.53 |
5.67 |
-9.55 |
-0.52 |
0 |
|
|
19388 |
562873 |
1 |
ClSO4C11H13 |
ABC4D11E13 |
-161.42 |
5.91 |
-10.34 |
-0.69 |
0 |
|
|
19389 |
562874 |
1 |
Cl2S2O4H14C15 |
A2B2C4D14E15 |
-108.83 |
6.54 |
-9.92 |
-0.68 |
0 |
|
|
19390 |
562876 |
1 |
S3O4C13H14 |
A3B4C13D14 |
-114.36 |
1.24 |
-9.5 |
-1.0 |
0 |
|
|
19391 |
562881 |
1 |
SN3O3C9H13 |
AB3C3D9E13 |
-83.86 |
6.85 |
-10.09 |
-0.6 |
0 |
|
|
19392 |
562883 |
3 |
NSO2C8H9 |
ABC2D8E9 |
-178.16 |
5.72 |
-9.54 |
-0.63 |
0 |
|
|
19393 |
562885 |
1 |
SN3O5F9H10C14 |
AB3C5D9E10F14 |
-606.35 |
5.5 |
-10.5 |
-1.05 |
0 |
|
|
19394 |
562886 |
1 |
SO4H12C14 |
AB4C12D14 |
-46.78 |
4.89 |
-9.33 |
-1.02 |
0 |
|
|
19395 |
562887 |
1 |
S2O6C17H20 |
A2B6C17D20 |
-216.05 |
0.38 |
-8.9 |
-0.32 |
0 |
|
|
19396 |
562888 |
1 |
NSO5C12H13 |
ABC5D12E13 |
-181.09 |
9.96 |
-10.04 |
-1.18 |
0 |
|
|
19397 |
562905 |
2 |
NOSC8H9 |
ABCD8E9 |
-28.63 |
5.49 |
-8.7 |
-0.65 |
0 |
|
|
19398 |
563007 |
1 |
O3N5C13H13 |
A3B5C13D13 |
-40.53 |
2.46 |
-9.69 |
-1.17 |
0 |
|
|
19399 |
563040 |
1 |
N4O4H18C21 |
A4B4C18D21 |
28.57 |
8.35 |
-9.13 |
-1.55 |
0 |
|
|
19400 |
563042 |
1 |
SN4O7C18H22 |
AB4C7D18E22 |
-230.16 |
5.08 |
-10.3 |
-0.69 |
0 |
|
|
19401 |
563110 |
1 |
F3O3C13H15 |
A3B3C13D15 |
-287.56 |
4.37 |
-9.72 |
0.01 |
0 |
|
|
19402 |
563140 |
1 |
NO9H33C36 |
AB9C33D36 |
-276.02 |
4.29 |
-9.56 |
-0.78 |
0 |
|
|
19403 |
563143 |
1 |
NO3H21C22 |
AB3C21D22 |
-28.28 |
2.52 |
-8.03 |
-0.09 |
0 |
|
|
19404 |
563147 |
1 |
NO3H27C28 |
AB3C27D28 |
-24.15 |
3.28 |
-8.63 |
-0.15 |
0 |
|
|
19405 |
563152 |
1 |
F2O7H38C43 |
A2B7C38D43 |
-207.66 |
5.97 |
-8.62 |
-0.42 |
0 |
|
|
19406 |
563160 |
1 |
N2O2H20C21 |
A2B2C20D21 |
4.56 |
4.79 |
-8.46 |
-0.81 |
0 |
|
|
19407 |
563167 |
1 |
N2O2H20C21 |
A2B2C20D21 |
14.49 |
4.03 |
-8.66 |
-0.06 |
0 |
|
|
19408 |
563179 |
1 |
NC14H19 |
AB14C19 |
64.33 |
1.74 |
-8.74 |
0.5 |
0 |
|
|
19409 |
563180 |
1 |
N2O4H18C19 |
A2B4C18D19 |
-8.72 |
7.15 |
-9.25 |
-1.42 |
0 |
|
|
19410 |
563181 |
1 |
N2O5C14H18 |
A2B5C14D18 |
-196.99 |
4.44 |
-9.73 |
-0.13 |
0 |
|
|
19411 |
563182 |
1 |
OC13H16 |
AB13C16 |
22.04 |
1.3 |
-9.35 |
0.35 |
0 |
|
|
19412 |
563184 |
7 |
NC3H3 |
AB3C3 |
181.47 |
3.92 |
-8.64 |
-1.66 |
0 |
|
|
19413 |
563186 |
1 |
NO2C14H21 |
AB2C14D21 |
-76.39 |
1.57 |
-8.89 |
0.43 |
0 |
|
|
19414 |
563187 |
1 |
NO2C13H15 |
AB2C13D15 |
-46.86 |
5.49 |
-9.38 |
0.04 |
0 |
|
|
19415 |
563188 |
1 |
NO4C37H53 |
AB4C37D53 |
-229.96 |
4.66 |
-9.48 |
0.13 |
0 |
|
|
19416 |
563189 |
1 |
NO5C37H53 |
AB5C37D53 |
-270.89 |
3.13 |
-9.27 |
0.3 |
0 |
|
|
19417 |
563193 |
1 |
OS2N3H10C12 |
AB2C3D10E12 |
34.59 |
3.64 |
0.0 |
0.0 |
1 |
|
|
19418 |
563194 |
1 |
ClO2N3C20H24 |
AB2C3D20E24 |
-36.57 |
2.51 |
-8.73 |
-0.35 |
0 |
|
|
19419 |
563234 |
1 |
PN3O3C19H20 |
AB3C3D19E20 |
-89.81 |
5.79 |
-8.87 |
-0.51 |
0 |
|
|
19420 |
563305 |
1 |
N2O3C13H14 |
A2B3C13D14 |
-84.55 |
2.17 |
-9.79 |
-0.22 |
0 |
|
|
19421 |
563359 |
1 |
O2N3C16H17 |
A2B3C16D17 |
12.38 |
1.62 |
-9.66 |
-0.76 |
0 |
|
|
19422 |
563362 |
1 |
PN2O6H35C37 |
AB2C6D35E37 |
-193.76 |
3.99 |
-8.98 |
-0.06 |
0 |
|
|
19423 |
563367 |
1 |
NO4C20H27 |
AB4C20D27 |
-182.21 |
2.54 |
-9.63 |
-0.12 |
0 |
|
|
19424 |
563376 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-27.39 |
1.38 |
-9.41 |
-0.73 |
0 |
|
|
19425 |
563425 |
1 |
NO2C13H17 |
AB2C13D17 |
-72.64 |
4.75 |
-8.9 |
-0.22 |
0 |
|
|
19426 |
563476 |
1 |
OC16H18 |
AB16C18 |
-13.59 |
1.23 |
-8.34 |
0.22 |
0 |
|
|
19427 |
563487 |
1 |
ClN4H14C19 |
AB4C14D19 |
158.08 |
3.79 |
0.0 |
0.0 |
1 |
|
|
19428 |
563490 |
1 |
O2C15H16 |
A2B15C16 |
-63.49 |
5.07 |
-9.46 |
0.2 |
0 |
|
|
19429 |
563493 |
1 |
FO2H11C14 |
AB2C11D14 |
-61.1 |
4.68 |
-9.2 |
-0.99 |
0 |
|
|
19430 |
563499 |
1 |
O2C35H54 |
A2B35C54 |
-156.29 |
1.98 |
-9.41 |
0.32 |
0 |
|
|
19431 |
563573 |
1 |
SSiO5C33H42 |
ABC5D33E42 |
-201.58 |
0.88 |
-8.82 |
0.1 |
0 |
|
|
19432 |
563607 |
1 |
FSN3C12H12 |
ABC3D12E12 |
7.38 |
1.11 |
-8.83 |
-0.4 |
0 |