List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
370892 |
127341218 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-67.0 |
3.93 |
-9.35 |
0.18 |
0 |
|
|
370893 |
127341219 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-122.14 |
2.22 |
-9.28 |
0.01 |
0 |
|
|
370894 |
127341220 |
1 |
FO2N3C20H28 |
AB2C3D20E28 |
-130.84 |
3.69 |
-9.45 |
-0.15 |
0 |
|
|
370895 |
127341221 |
1 |
SN4O4C18H26 |
AB4C4D18E26 |
-148.16 |
9.08 |
-9.41 |
-0.75 |
0 |
|
|
370896 |
127341222 |
2 |
ON2C8H15 |
AB2C8D15 |
-109.72 |
6.3 |
-8.94 |
0.99 |
0 |
|
|
370897 |
127341223 |
2 |
ON2C8H15 |
AB2C8D15 |
-116.18 |
4.18 |
-8.8 |
0.79 |
0 |
|
|
370898 |
127341224 |
1 |
ON6C9H16 |
AB6C9D16 |
24.89 |
4.44 |
-9.72 |
-0.48 |
0 |
|
|
370899 |
127341225 |
1 |
N3O3C13H23 |
A3B3C13D23 |
-138.86 |
3.0 |
-9.18 |
0.71 |
0 |
|
|
370900 |
127341226 |
1 |
O2N3C11H19 |
A2B3C11D19 |
-75.3 |
3.85 |
-9.24 |
0.73 |
0 |
|
|
370901 |
127341230 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-66.12 |
3.66 |
-9.04 |
0.96 |
0 |
|
|
370902 |
127341231 |
1 |
O2N3C15H25 |
A2B3C15D25 |
-68.57 |
4.1 |
-9.38 |
0.88 |
0 |
|
|
370903 |
127341232 |
1 |
SO2N5C13H17 |
AB2C5D13E17 |
-27.86 |
4.12 |
-9.44 |
-1.22 |
0 |
|
|
370904 |
127341240 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-84.18 |
3.94 |
-9.14 |
0.84 |
0 |
|
|
370905 |
127341241 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-110.28 |
3.73 |
-8.88 |
0.1 |
0 |
|
|
370906 |
127341249 |
1 |
O3N4C11H18 |
A3B4C11D18 |
-118.35 |
6.74 |
-9.03 |
-0.17 |
0 |
|
|
370907 |
127341256 |
1 |
O2N4C13H20 |
A2B4C13D20 |
0.33 |
6.52 |
-9.03 |
-0.2 |
0 |
|
|
370908 |
127341257 |
1 |
N3O3C16H27 |
A3B3C16D27 |
-139.35 |
3.14 |
-9.14 |
0.84 |
0 |
|
|
370909 |
127341258 |
2 |
ON2C9H15 |
AB2C9D15 |
-76.25 |
8.69 |
-8.82 |
0.55 |
0 |
|
|
370910 |
127341259 |
1 |
SN3O4C14H25 |
AB3C4D14E25 |
-179.99 |
8.18 |
-9.18 |
0.59 |
0 |
|
|
370911 |
127341284 |
1 |
OSN5C16H23 |
ABC5D16E23 |
-9.29 |
5.16 |
-8.62 |
-0.66 |
0 |
|
|
370912 |
127341285 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-114.47 |
5.42 |
-8.86 |
1.15 |
0 |
|
|
370913 |
127341311 |
1 |
N2C13H26 |
A2B13C26 |
-24.53 |
1.2 |
-8.38 |
2.81 |
0 |
|
|
370914 |
127341312 |
2 |
ON2C10H18 |
AB2C10D18 |
-127.93 |
2.59 |
-8.61 |
0.32 |
0 |
|
|
370915 |
127341313 |
1 |
ON2C14H28 |
AB2C14D28 |
-73.99 |
1.94 |
-8.38 |
2.75 |
0 |
|
|
370916 |
127341314 |
1 |
N2C13H26 |
A2B13C26 |
-20.33 |
1.05 |
-8.4 |
2.81 |
0 |
|
|
370917 |
127341315 |
1 |
N6C15H26 |
A6B15C26 |
83.43 |
8.11 |
-8.86 |
-0.18 |
0 |
|
|
370918 |
127341316 |
2 |
ON2C10H18 |
AB2C10D18 |
-128.86 |
1.97 |
-8.7 |
0.31 |
0 |
|
|
370919 |
127341320 |
1 |
FO2N3C21H26 |
AB2C3D21E26 |
-99.86 |
3.26 |
-9.41 |
-1.01 |
0 |
|
|
370920 |
127341321 |
1 |
FO2N3C22H28 |
AB2C3D22E28 |
-103.93 |
4.47 |
-9.35 |
-0.96 |
0 |
|
|
370921 |
127341322 |
1 |
SN4C12H20 |
AB4C12D20 |
27.29 |
7.07 |
-8.52 |
0.54 |
0 |
|
|
370922 |
127341323 |
1 |
SO2N3C10H17 |
AB2C3D10E17 |
-87.73 |
4.72 |
-8.43 |
0.22 |
0 |
|
|
370923 |
127341325 |
1 |
OSN3C9H15 |
ABC3D9E15 |
-3.68 |
4.32 |
-8.63 |
-0.19 |
0 |
|
|
370924 |
127341326 |
1 |
SO2N3C9H17 |
AB2C3D9E17 |
-100.78 |
1.93 |
-8.79 |
0.14 |
0 |
|
|
370925 |
127341328 |
1 |
NOSC11H21 |
ABCD11E21 |
-66.49 |
2.31 |
-8.42 |
0.82 |
0 |
|
|
370926 |
127341329 |
1 |
SO2N3C11H19 |
AB2C3D11E19 |
-88.1 |
6.74 |
-8.73 |
0.53 |
0 |
|
|
370927 |
127341330 |
1 |
SN4C13H22 |
AB4C13D22 |
23.3 |
6.99 |
-8.54 |
0.56 |
0 |
|
|
370928 |
127341331 |
2 |
NOSC4H9 |
ABCD4E9 |
-90.94 |
3.41 |
-8.56 |
0.57 |
0 |
|
|
370929 |
127341334 |
1 |
OSN2C11H22 |
ABC2D11E22 |
-50.83 |
0.63 |
-8.46 |
0.78 |
0 |
|
|
370930 |
127341335 |
1 |
NSC8H15 |
ABC8D15 |
5.96 |
1.12 |
-8.44 |
0.8 |
0 |
|
|
370931 |
127341363 |
1 |
N3C13H21 |
A3B13C21 |
5.25 |
3.59 |
-9.06 |
0.9 |
0 |
|
|
370932 |
127341364 |
1 |
N3C14H23 |
A3B14C23 |
8.39 |
3.76 |
-8.75 |
0.98 |
0 |
|
|
370933 |
127341372 |
1 |
ON2C14H22 |
AB2C14D22 |
-13.45 |
3.0 |
-9.01 |
0.32 |
0 |
|
|
370934 |
127341373 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-118.16 |
4.69 |
-9.42 |
0.22 |
0 |
|
|
370935 |
127341374 |
1 |
SN2O2C12H24 |
AB2C2D12E24 |
-86.98 |
3.64 |
-9.45 |
0.14 |
0 |
|
|
370936 |
127341375 |
1 |
SN2O2C11H22 |
AB2C2D11E22 |
-83.99 |
3.9 |
-9.66 |
0.14 |
0 |
|
|
370937 |
127341395 |
1 |
SN3O3C17H27 |
AB3C3D17E27 |
-77.03 |
3.36 |
-8.83 |
-0.11 |
0 |
|
|
370938 |
127341396 |
1 |
S2N3O3C15H25 |
A2B3C3D15E25 |
-68.84 |
5.09 |
-8.74 |
-0.18 |
0 |
|
|
370939 |
127341424 |
2 |
OSN2C7H12 |
ABC2D7E12 |
-34.92 |
4.21 |
-8.8 |
-0.27 |
0 |
|
|
370940 |
127341425 |
1 |
SN4O4C15H28 |
AB4C4D15E28 |
-142.7 |
6.64 |
-8.87 |
-0.25 |
0 |
|
|
370941 |
127341426 |
1 |
SO3N4C18H28 |
AB3C4D18E28 |
-80.26 |
6.08 |
-8.98 |
-0.11 |
0 |
|
|
370942 |
127341427 |
1 |
S2N4O4C15H30 |
A2B4C4D15E30 |
-121.89 |
2.23 |
-9.6 |
-0.13 |
0 |
|
|
370943 |
127341430 |
1 |
S2O3N5C16H23 |
A2B3C5D16E23 |
-0.59 |
5.33 |
-9.11 |
-0.93 |
0 |
|
|
370944 |
127341431 |
1 |
SO3N4C18H28 |
AB3C4D18E28 |
-85.7 |
6.68 |
-8.72 |
-0.18 |
0 |
|
|
370945 |
127341494 |
1 |
SN2O2C12H24 |
AB2C2D12E24 |
-82.87 |
3.77 |
-9.34 |
0.18 |
0 |
|
|
370946 |
127341495 |
1 |
S2N3O4C10H21 |
A2B3C4D10E21 |
-146.86 |
2.92 |
-9.73 |
-0.05 |
0 |
|
|
370947 |
127341496 |
1 |
N3O3S3C13H23 |
A3B3C3D13E23 |
-97.98 |
2.82 |
-8.69 |
-0.63 |
0 |
|
|
370948 |
127341497 |
1 |
SO3N5C17H27 |
AB3C5D17E27 |
-70.86 |
5.41 |
-8.71 |
-0.1 |
0 |
|
|
370949 |
127341498 |
1 |
S2N3O3C13H23 |
A2B3C3D13E23 |
-100.43 |
4.64 |
-8.72 |
-0.36 |
0 |
|
|
370950 |
127341499 |
1 |
S2N3O3C13H23 |
A2B3C3D13E23 |
-74.38 |
3.8 |
-8.76 |
-0.4 |
0 |
|
|
370951 |
127341508 |
1 |
SO2N5C16H29 |
AB2C5D16E29 |
-53.3 |
6.92 |
-8.44 |
-0.07 |
0 |
|
|
370952 |
127341509 |
1 |
SO2N3C13H27 |
AB2C3D13E27 |
-79.3 |
4.39 |
-8.63 |
-0.01 |
0 |
|
|
370953 |
127341518 |
1 |
SN2O3C13H24 |
AB2C3D13E24 |
-162.53 |
3.81 |
-9.41 |
0.24 |
0 |
|
|
370954 |
127341519 |
1 |
S2N3O3C16H29 |
A2B3C3D16E29 |
-126.05 |
5.99 |
-8.8 |
0.07 |
0 |
|
|
370955 |
127341520 |
1 |
SO2F3N3C12H22 |
AB2C3D3E12F22 |
-227.94 |
6.33 |
-9.53 |
-0.18 |
0 |
|
|
370956 |
127341560 |
1 |
SO2N5C16H29 |
AB2C5D16E29 |
-37.19 |
6.23 |
-8.51 |
0.02 |
0 |
|
|
370957 |
127341561 |
1 |
SO2N6C14H20 |
AB2C6D14E20 |
43.51 |
10.17 |
-9.95 |
-0.75 |
0 |
|
|
370958 |
127341576 |
1 |
N2S2O5C15H20 |
A2B2C5D15E20 |
-166.56 |
6.9 |
-10.05 |
-1.21 |
0 |
|
|
370959 |
127341577 |
1 |
NS2O5C11H21 |
AB2C5D11E21 |
-226.67 |
7.15 |
-10.01 |
0.0 |
0 |
|
|
370960 |
127341580 |
1 |
N2S2O4C11H22 |
A2B2C4D11E22 |
-187.04 |
1.9 |
-9.76 |
-0.26 |
0 |
|
|
370961 |
127341581 |
1 |
N2S2O4C13H16 |
A2B2C4D13E16 |
-116.11 |
5.45 |
-10.26 |
-0.91 |
0 |
|
|
370962 |
127341586 |
1 |
SN3O3C14H17 |
AB3C3D14E17 |
-36.21 |
5.36 |
-10.13 |
-1.29 |
0 |
|
|
370963 |
127341587 |
1 |
SN2O2C16H18 |
AB2C2D16E18 |
-30.56 |
4.36 |
-9.76 |
-1.36 |
0 |
|
|
370964 |
127341590 |
1 |
SN2O2C16H18 |
AB2C2D16E18 |
-28.1 |
6.14 |
-9.6 |
-1.23 |
0 |
|
|
370965 |
127341591 |
1 |
SO2N3C17H21 |
AB2C3D17E21 |
-16.07 |
4.29 |
-9.67 |
-0.51 |
0 |
|
|
370966 |
127341594 |
1 |
SN3O3C20H23 |
AB3C3D20E23 |
-76.56 |
6.61 |
-8.53 |
-0.65 |
0 |
|
|
370967 |
127341595 |
1 |
SN2O3C22H26 |
AB2C3D22E26 |
-98.58 |
8.0 |
-9.21 |
-0.62 |
0 |
|
|
370968 |
127341598 |
1 |
SN2O2C13H26 |
AB2C2D13E26 |
-116.28 |
3.04 |
-9.34 |
0.23 |
0 |
|
|
370969 |
127341599 |
1 |
SN2O2C11H24 |
AB2C2D11E24 |
-112.21 |
3.52 |
-9.41 |
0.17 |
0 |
|
|
370970 |
127341600 |
1 |
NSO3C10H19 |
ABC3D10E19 |
-126.47 |
5.2 |
-9.7 |
0.18 |
0 |
|
|
370971 |
127341601 |
1 |
SN2O2C13H26 |
AB2C2D13E26 |
-97.45 |
4.04 |
-9.43 |
0.13 |
0 |
|
|
370972 |
127341602 |
1 |
SN2O2C10H20 |
AB2C2D10E20 |
-87.17 |
3.63 |
-9.41 |
0.14 |
0 |
|
|
370973 |
127341603 |
1 |
SN2O2C11H22 |
AB2C2D11E22 |
-92.35 |
3.67 |
-9.5 |
0.13 |
0 |
|
|
370974 |
127341679 |
1 |
ClFSO2N4C14H16 |
ABCD2E4F14G16 |
-65.49 |
6.49 |
-9.12 |
-0.88 |
0 |
|
|
370975 |
127341680 |
1 |
SN3O3C16H23 |
AB3C3D16E23 |
-93.84 |
4.5 |
-9.15 |
-0.04 |
0 |
|
|
370976 |
127341681 |
1 |
SO2N3C12H19 |
AB2C3D12E19 |
-64.07 |
6.82 |
-9.02 |
0.1 |
0 |
|
|
370977 |
127341682 |
1 |
SN3O3C15H17 |
AB3C3D15E17 |
-62.99 |
6.92 |
-9.09 |
-0.57 |
0 |
|
|
370978 |
127341683 |
2 |
SN2O2C8H10 |
AB2C2D8E10 |
-90.89 |
1.54 |
-9.25 |
-1.25 |
0 |
|
|
370979 |
127341684 |
1 |
ClSN3O3C15H16 |
ABC3D3E15F16 |
-68.65 |
6.63 |
-9.14 |
-0.84 |
0 |
|
|
370980 |
127341687 |
1 |
SO3N4C15H16 |
AB3C4D15E16 |
-55.75 |
9.68 |
-9.11 |
-1.05 |
0 |
|
|
370981 |
127341688 |
1 |
SO2N4C12H20 |
AB2C4D12E20 |
-50.12 |
6.41 |
-9.15 |
-0.32 |
0 |
|
|
370982 |
127341692 |
1 |
S2N4O4C15H18 |
A2B4C4D15E18 |
-68.1 |
6.42 |
-9.21 |
-1.47 |
0 |
|
|
370983 |
127341693 |
1 |
SN4O4C17H20 |
AB4C4D17E20 |
-92.7 |
4.32 |
-9.22 |
-1.21 |
0 |
|
|
370984 |
127341694 |
1 |
SO3N4C16H18 |
AB3C4D16E18 |
-68.0 |
6.31 |
-9.07 |
-0.97 |
0 |
|
|
370985 |
127341728 |
1 |
SO3N5C16H19 |
AB3C5D16E19 |
-0.54 |
5.87 |
-9.61 |
-1.3 |
0 |
|
|
370986 |
127341729 |
1 |
SN3O3C17H21 |
AB3C3D17E21 |
-55.2 |
3.85 |
-9.54 |
-0.81 |
0 |
|
|
370987 |
127341742 |
1 |
SN4O5C12H18 |
AB4C5D12E18 |
-195.88 |
5.03 |
-9.05 |
-1.12 |
0 |
|
|
370988 |
127341745 |
1 |
SN2O3C12H22 |
AB2C3D12E22 |
-144.19 |
1.76 |
-9.38 |
0.28 |
0 |
|
|
370989 |
127341746 |
1 |
SN5O5C14H17 |
AB5C5D14E17 |
-171.26 |
5.14 |
-9.64 |
-1.27 |
0 |
|
|
370990 |
127341747 |
1 |
SN2O4C10H18 |
AB2C4D10E18 |
-171.28 |
5.22 |
-9.57 |
-0.16 |
0 |
|
|
370991 |
127341765 |
1 |
SN2O2C13H26 |
AB2C2D13E26 |
-105.63 |
4.97 |
-8.8 |
0.58 |
0 |