List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
224551 |
85344726 |
1 |
O4C11H20 |
A4B11C20 |
-217.41 |
1.6 |
-10.01 |
0.79 |
0 |
|
|
224552 |
85344727 |
1 |
O4C11H20 |
A4B11C20 |
-209.07 |
2.82 |
-10.08 |
0.8 |
0 |
|
|
224553 |
85344728 |
2 |
OC7H8 |
AB7C8 |
18.13 |
3.06 |
-9.0 |
0.37 |
0 |
|
|
224554 |
85344729 |
2 |
OC7H8 |
AB7C8 |
-66.57 |
2.34 |
-9.54 |
-0.52 |
0 |
|
|
224555 |
85344730 |
2 |
OC7H8 |
AB7C8 |
6.33 |
4.32 |
-9.06 |
0.01 |
0 |
|
|
224557 |
85344741 |
1 |
ON2C13H18 |
AB2C13D18 |
-13.6 |
2.93 |
-9.3 |
0.31 |
0 |
|
|
224558 |
85344771 |
1 |
F2O4C9H12 |
A2B4C9D12 |
-276.32 |
0.66 |
-10.42 |
0.02 |
0 |
|
|
224559 |
85344774 |
1 |
O3C13H18 |
A3B13C18 |
-112.56 |
3.59 |
-9.47 |
0.24 |
0 |
|
|
224561 |
85344791 |
1 |
O3C13H20 |
A3B13C20 |
-130.31 |
1.7 |
-9.47 |
0.47 |
0 |
|
|
224562 |
85344792 |
1 |
O3C13H20 |
A3B13C20 |
-129.94 |
2.68 |
-9.76 |
0.47 |
0 |
|
|
224563 |
85344829 |
1 |
O2N3H9C12 |
A2B3C9D12 |
19.74 |
7.95 |
-9.83 |
-1.71 |
0 |
|
|
224564 |
85344851 |
1 |
NOSC13H13 |
ABCD13E13 |
51.23 |
3.47 |
-9.29 |
-0.88 |
0 |
|
|
224565 |
85344854 |
4 |
OC3H6 |
AB3C6 |
-216.58 |
3.84 |
-9.85 |
1.53 |
0 |
|
|
224566 |
85344858 |
1 |
BrSN2C7H9 |
ABC2D7E9 |
44.01 |
2.17 |
-9.28 |
-0.99 |
0 |
|
|
224567 |
85344874 |
1 |
O2F3C11H11 |
A2B3C11D11 |
-152.87 |
2.87 |
-10.19 |
-0.73 |
0 |
|
|
224568 |
85344948 |
2 |
OC8H10 |
AB8C10 |
-73.28 |
5.71 |
-9.68 |
-0.2 |
0 |
|
|
224569 |
85344949 |
1 |
N3O4H5C11 |
A3B4C5D11 |
-26.68 |
4.89 |
-9.75 |
-2.36 |
0 |
|
|
224570 |
85344952 |
1 |
NOC16H23 |
ABC16D23 |
-40.57 |
3.21 |
-9.87 |
-0.67 |
0 |
|
|
224571 |
85344967 |
1 |
NO4C13H13 |
AB4C13D13 |
-139.96 |
4.46 |
-10.02 |
-0.65 |
0 |
|
|
224573 |
85344988 |
1 |
NO3C14H19 |
AB3C14D19 |
-139.83 |
3.56 |
-9.27 |
0.24 |
0 |
|
|
224574 |
85344989 |
1 |
NO3C14H19 |
AB3C14D19 |
-103.0 |
1.97 |
-9.74 |
0.02 |
0 |
|
|
224575 |
85344990 |
1 |
NSiO2C13H19 |
ABC2D13E19 |
-84.51 |
4.19 |
-8.75 |
-0.58 |
0 |
|
|
224576 |
85344991 |
1 |
O7C10H18 |
A7B10C18 |
-314.28 |
5.55 |
-10.28 |
-0.01 |
0 |
|
|
224577 |
85344992 |
1 |
O5C13H14 |
A5B13C14 |
-147.93 |
5.52 |
-8.98 |
-0.82 |
0 |
|
|
224578 |
85345025 |
1 |
OC18H20 |
AB18C20 |
5.05 |
1.9 |
-9.12 |
0.13 |
0 |
|
|
224579 |
85345035 |
1 |
N2O2H14C15 |
A2B2C14D15 |
-21.32 |
6.16 |
-9.74 |
-0.74 |
0 |
|
|
224580 |
85345039 |
1 |
O2C17H18 |
A2B17C18 |
-32.86 |
3.25 |
-8.69 |
0.05 |
0 |
|
|
224581 |
85345046 |
1 |
NO4H7C14 |
AB4C7D14 |
-45.59 |
11.87 |
-9.65 |
-2.95 |
0 |
|
|
224582 |
85345047 |
1 |
N3O4C11H19 |
A3B4C11D19 |
-196.0 |
3.39 |
-10.08 |
-0.2 |
0 |
|
|
224583 |
85345048 |
1 |
NO3C14H25 |
AB3C14D25 |
-99.4 |
4.58 |
-8.46 |
0.79 |
0 |
|
|
224584 |
85345049 |
1 |
NOC17H21 |
ABC17D21 |
-3.01 |
2.7 |
-8.26 |
0.4 |
0 |
|
|
224585 |
85345053 |
1 |
ON4C14H16 |
AB4C14D16 |
59.67 |
5.27 |
-8.16 |
-0.93 |
0 |
|
|
224586 |
85345084 |
1 |
O5C13H24 |
A5B13C24 |
-230.75 |
6.27 |
-10.0 |
0.19 |
0 |
|
|
224587 |
85345098 |
1 |
NO2C16H23 |
AB2C16D23 |
-63.67 |
2.29 |
-8.96 |
0.27 |
0 |
|
|
224588 |
85345134 |
1 |
SO3C14H18 |
AB3C14D18 |
-102.13 |
5.24 |
-8.4 |
-0.3 |
0 |
|
|
224589 |
85345152 |
1 |
O4C15H24 |
A4B15C24 |
-163.38 |
2.32 |
-9.79 |
0.88 |
0 |
|
|
224590 |
85345153 |
2 |
OC9H10 |
AB9C10 |
-71.07 |
4.79 |
-9.44 |
0.26 |
0 |
|
|
224591 |
85345154 |
1 |
SO3C14H20 |
AB3C14D20 |
-86.04 |
1.82 |
-8.76 |
-0.24 |
0 |
|
|
224592 |
85345157 |
2 |
NC9H12 |
AB9C12 |
14.51 |
0.78 |
-8.6 |
0.47 |
0 |
|
|
224593 |
85345158 |
1 |
O2C17H32 |
A2B17C32 |
-153.75 |
3.13 |
-9.94 |
2.71 |
0 |
|
|
224594 |
85345162 |
1 |
N3O5C11H15 |
A3B5C11D15 |
-145.09 |
3.4 |
-9.99 |
-0.67 |
0 |
|
|
224595 |
85345163 |
1 |
NO5C13H19 |
AB5C13D19 |
-209.72 |
2.34 |
-9.71 |
-0.25 |
0 |
|
|
224596 |
85345170 |
1 |
N2C19H22 |
A2B19C22 |
62.66 |
3.53 |
-8.63 |
0.37 |
0 |
|
|
224597 |
85345177 |
1 |
Si2C15H34 |
A2B15C34 |
-100.68 |
0.4 |
-8.62 |
0.71 |
0 |
|
|
224598 |
85345185 |
1 |
NO2C17H21 |
AB2C17D21 |
-56.85 |
1.69 |
-8.41 |
0.09 |
0 |
|
|
224599 |
85345192 |
1 |
O5C14H24 |
A5B14C24 |
-250.17 |
2.7 |
-9.34 |
1.58 |
0 |
|
|
224600 |
85345210 |
1 |
OC19H30 |
AB19C30 |
-57.91 |
2.04 |
-9.08 |
0.27 |
0 |
|
|
224601 |
85345222 |
4 |
OC4H5 |
AB4C5 |
-157.98 |
5.01 |
-9.92 |
-0.76 |
0 |
|
|
224602 |
85345270 |
1 |
OC20H24 |
AB20C24 |
96.7 |
3.01 |
-8.91 |
0.34 |
0 |
|
|
224604 |
85345284 |
1 |
ClNSO2H12C13 |
ABCD2E12F13 |
-40.49 |
3.62 |
-8.67 |
-1.44 |
0 |
|
|
224605 |
85345286 |
1 |
ClNO2C15H20 |
ABC2D15E20 |
-78.87 |
5.18 |
-8.34 |
-0.11 |
0 |
|
|
224606 |
85345290 |
3 |
OC6H6 |
AB6C6 |
-75.72 |
2.24 |
-9.47 |
-0.3 |
0 |
|
|
224607 |
85345293 |
1 |
OSSiC15H26 |
ABCD15E26 |
-102.3 |
1.85 |
-8.45 |
0.52 |
0 |
|
|
224609 |
85345300 |
1 |
NSO4C13H17 |
ABC4D13E17 |
-128.31 |
5.87 |
-8.86 |
-0.73 |
0 |
|
|
224610 |
85345301 |
1 |
NSO3C14H21 |
ABC3D14E21 |
-119.06 |
4.85 |
-8.68 |
0.08 |
0 |
|
|
224612 |
85345318 |
1 |
GaPC14H17 |
ABC14D17 |
-359.89 |
0.76 |
0.0 |
0.0 |
0 |
|
|
224613 |
85345322 |
1 |
NO4H15C16 |
AB4C15D16 |
-121.21 |
4.28 |
-9.11 |
-0.61 |
0 |
|
|
224614 |
85345332 |
2 |
O2C8H15 |
A2B8C15 |
-227.04 |
2.5 |
-9.8 |
1.98 |
0 |
|
|
224615 |
85345333 |
1 |
ON2C18H26 |
AB2C18D26 |
-29.16 |
3.61 |
-8.71 |
0.37 |
0 |
|
|
224616 |
85345347 |
1 |
NO3C17H21 |
AB3C17D21 |
-125.19 |
3.86 |
-9.37 |
0.34 |
0 |
|
|
224617 |
85345353 |
1 |
ClNO2H14C16 |
ABC2D14E16 |
-3.26 |
2.27 |
-9.29 |
-1.39 |
0 |
|
|
224618 |
85345355 |
2 |
OH8C10 |
AB8C10 |
72.28 |
1.81 |
-8.89 |
-0.06 |
0 |
|
|
224619 |
85345357 |
1 |
O5C15H28 |
A5B15C28 |
-283.64 |
1.54 |
-10.28 |
0.57 |
0 |
|
|
224620 |
85345370 |
1 |
NOSiC17H27 |
ABCD17E27 |
-39.75 |
2.74 |
-8.96 |
0.27 |
0 |
|
|
224621 |
85345385 |
1 |
O2C19H30 |
A2B19C30 |
-140.68 |
3.63 |
-9.63 |
0.82 |
0 |
|
|
224622 |
85345394 |
1 |
NO3C17H25 |
AB3C17D25 |
-134.12 |
2.55 |
-8.92 |
-0.07 |
0 |
|
|
224623 |
85345408 |
1 |
O2C19H32 |
A2B19C32 |
-135.11 |
2.5 |
-10.23 |
0.85 |
0 |
|
|
224624 |
85345411 |
1 |
ON7C14H19 |
AB7C14D19 |
47.07 |
6.78 |
-9.23 |
-0.76 |
0 |
|
|
224625 |
85345412 |
1 |
NO5C15H19 |
AB5C15D19 |
-208.51 |
4.02 |
-10.09 |
-0.56 |
0 |
|
|
224626 |
85345413 |
1 |
NO3H15C18 |
AB3C15D18 |
-49.99 |
2.28 |
-8.83 |
-1.34 |
0 |
|
|
224627 |
85345414 |
1 |
NO4C16H23 |
AB4C16D23 |
-151.4 |
2.11 |
-8.16 |
0.41 |
0 |
|
|
224628 |
85345415 |
1 |
NO2C19H19 |
AB2C19D19 |
-17.65 |
3.47 |
-9.28 |
0.12 |
0 |
|
|
224629 |
85345416 |
1 |
NSO3C15H19 |
ABC3D15E19 |
-117.25 |
1.26 |
-8.77 |
-0.14 |
0 |
|
|
224630 |
85345419 |
1 |
NOC20H23 |
ABC20D23 |
7.68 |
2.72 |
-8.73 |
-0.01 |
0 |
|
|
224631 |
85345434 |
1 |
SO3C16H22 |
AB3C16D22 |
-117.27 |
4.82 |
-10.11 |
-0.46 |
0 |