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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
76852 |
48425482 |
1 |
N3O3C16H29 |
A3B3C16D29 |
-175.94 |
4.7 |
-9.68 |
0.75 |
0 |
|
|
76853 |
48425483 |
1 |
SO2N6C13H22 |
AB2C6D13E22 |
-10.17 |
7.28 |
-9.26 |
-0.53 |
0 |
|
|
76854 |
48425485 |
1 |
BrO2S2N3C14H16 |
AB2C2D3E14F16 |
-28.87 |
1.41 |
-9.37 |
-1.58 |
0 |
|
|
76855 |
48425486 |
1 |
FN2O3C16H23 |
AB2C3D16E23 |
-170.2 |
3.97 |
-9.05 |
-0.03 |
0 |
|
|
76856 |
48425487 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-123.96 |
3.0 |
-9.36 |
0.34 |
0 |
|
|
76857 |
48425489 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-96.37 |
1.67 |
-9.18 |
-0.71 |
0 |
|
|
76858 |
48425490 |
1 |
BrSN2O2C15H21 |
ABC2D2E15F21 |
-81.95 |
3.77 |
-8.94 |
-0.62 |
0 |
|
|
76859 |
48425492 |
1 |
O2N5C13H17 |
A2B5C13D17 |
-21.83 |
3.42 |
-9.55 |
-1.21 |
0 |
|
|
76860 |
48425493 |
2 |
ClNOC8H11 |
ABCD8E11 |
-111.29 |
5.9 |
-9.28 |
-0.25 |
0 |
|
|
76861 |
48425494 |
1 |
ClN2O3C16H23 |
AB2C3D16E23 |
-139.7 |
6.19 |
-8.62 |
0.18 |
0 |
|
|
76862 |
48425495 |
1 |
BrN2O3C15H21 |
AB2C3D15E21 |
-119.33 |
5.73 |
-9.01 |
-0.1 |
0 |
|
|
76863 |
48425496 |
1 |
Cl2N2O3C15H20 |
A2B2C3D15E20 |
-138.99 |
6.26 |
-8.95 |
-0.42 |
0 |
|
|
76864 |
48425497 |
1 |
N3O3C16H31 |
A3B3C16D31 |
-187.5 |
4.09 |
-9.64 |
0.72 |
0 |
|
|
76865 |
48425498 |
1 |
BrN2O2C15H21 |
AB2C2D15E21 |
-86.83 |
2.44 |
-9.56 |
-0.13 |
0 |
|
|
76866 |
48425499 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-129.07 |
3.73 |
-9.63 |
-0.21 |
0 |
|
|
76867 |
48425500 |
1 |
N3O4C13H23 |
A3B4C13D23 |
-196.96 |
8.97 |
-9.65 |
0.58 |
0 |
|
|
76868 |
48425501 |
1 |
SN2O5C20H24 |
AB2C5D20E24 |
-171.94 |
2.26 |
-8.94 |
-0.81 |
0 |
|
|
76869 |
48425502 |
1 |
ClN3O3C17H22 |
AB3C3D17E22 |
-131.19 |
8.34 |
-8.73 |
-0.19 |
0 |
|
|
76870 |
48425503 |
1 |
SN2O2C20H24 |
AB2C2D20E24 |
-52.16 |
3.51 |
-8.83 |
-0.64 |
0 |
|
|
76871 |
48425504 |
1 |
SO2N3C14H21 |
AB2C3D14E21 |
-73.19 |
5.36 |
-8.85 |
-0.26 |
0 |
|
|
76872 |
48425505 |
1 |
SCl2N2O2C15H20 |
AB2C2D2E15F20 |
-98.42 |
3.96 |
-8.89 |
-0.78 |
0 |
|
|
76873 |
48425506 |
1 |
SN2O2C16H24 |
AB2C2D16E24 |
-92.66 |
2.01 |
-8.78 |
-0.62 |
0 |
|
|
76874 |
48425507 |
1 |
SO2N3C14H21 |
AB2C3D14E21 |
-74.52 |
0.98 |
-9.14 |
-0.39 |
0 |
|
|
76875 |
48425508 |
1 |
ClSN2O2C15H21 |
ABC2D2E15F21 |
-90.53 |
2.49 |
-9.02 |
-0.62 |
0 |
|
|
76876 |
48425509 |
2 |
N2O2C6H11 |
A2B2C6D11 |
-198.34 |
6.26 |
-9.74 |
0.6 |
0 |
|
|
76877 |
48425510 |
1 |
N3O4C10H19 |
A3B4C10D19 |
-189.04 |
4.53 |
-9.83 |
0.35 |
0 |
|
|
76878 |
48425511 |
2 |
ON2C7H12 |
AB2C7D12 |
-81.08 |
4.0 |
-9.51 |
0.22 |
0 |
|
|
76879 |
48425514 |
1 |
SN2O5C15H22 |
AB2C5D15E22 |
-194.4 |
7.9 |
-9.5 |
-0.72 |
0 |
|
|
76880 |
48425518 |
1 |
N4O4C15H18 |
A4B4C15D18 |
-65.58 |
7.19 |
-9.48 |
-1.58 |
0 |
|
|
76881 |
48425519 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-90.22 |
2.42 |
-9.64 |
-0.28 |
0 |
|
|
76882 |
48425521 |
1 |
O3N4C15H26 |
A3B4C15D26 |
-109.03 |
2.81 |
-9.6 |
-0.08 |
0 |
|
|
76883 |
48425522 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-145.27 |
4.59 |
-9.62 |
-0.43 |
0 |
|
|
76884 |
48425525 |
1 |
N3O4C18H21 |
A3B4C18D21 |
-118.58 |
2.12 |
-9.06 |
-0.76 |
0 |
|
|
76885 |
48425528 |
1 |
ClN2O2C16H23 |
AB2C2D16E23 |
-101.69 |
3.33 |
-9.38 |
-0.16 |
0 |
|
|
76886 |
48425529 |
1 |
N2F3O3C15H19 |
A2B3C3D15E19 |
-278.35 |
5.31 |
-9.67 |
-0.52 |
0 |
|
|
76887 |
48425530 |
1 |
BrN2O4C18H21 |
AB2C4D18E21 |
-115.68 |
2.52 |
-9.26 |
-0.62 |
0 |
|
|
76888 |
48425532 |
1 |
ClSN2O2C13H19 |
ABC2D2E13F19 |
-86.86 |
4.72 |
-9.15 |
-0.24 |
0 |
|
|
76889 |
48425535 |
1 |
N2O3C19H30 |
A2B3C19D30 |
-145.63 |
2.74 |
-8.84 |
0.42 |
0 |
|
|
76890 |
48425536 |
1 |
BrN2O3C16H23 |
AB2C3D16E23 |
-126.8 |
1.13 |
-8.86 |
-0.16 |
0 |
|
|
76891 |
48425537 |
1 |
N2O3C19H30 |
A2B3C19D30 |
-149.68 |
1.33 |
-8.72 |
0.4 |
0 |
|
|
76892 |
48425538 |
1 |
BrO2N4C18H23 |
AB2C4D18E23 |
-47.43 |
4.05 |
-9.22 |
-0.75 |
0 |
|
|
76893 |
48425539 |
1 |
BrN2O4C18H21 |
AB2C4D18E21 |
-113.39 |
4.34 |
-9.12 |
-0.6 |
0 |
|
|
76894 |
48425540 |
1 |
SN3O4C16H23 |
AB3C4D16E23 |
-158.28 |
4.68 |
-9.12 |
-1.15 |
0 |
|
|
76895 |
48425541 |
1 |
ClN2O3C15H21 |
AB2C3D15E21 |
-128.36 |
2.52 |
-9.57 |
-0.17 |
0 |
|
|
76896 |
48425543 |
1 |
Cl2N2O3C15H20 |
A2B2C3D15E20 |
-128.3 |
6.88 |
-9.16 |
-0.41 |
0 |
|
|
76897 |
48425544 |
1 |
N3O4C15H23 |
A3B4C15D23 |
-166.28 |
3.86 |
-9.33 |
-0.62 |
0 |
|
|
76898 |
48425546 |
2 |
ON2C10H13 |
AB2C10D13 |
-25.01 |
2.49 |
-9.44 |
-0.36 |
0 |
|
|
76899 |
48425547 |
2 |
ON2C8H10 |
AB2C8D10 |
-23.65 |
5.0 |
-9.16 |
-0.66 |
0 |
|
|
76900 |
48425548 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-31.06 |
0.53 |
-9.46 |
-0.81 |
0 |
|
|
76901 |
48425550 |
2 |
ON2C8H14 |
AB2C8D14 |
-102.51 |
2.21 |
-9.28 |
0.55 |
0 |
|
|
76902 |
48425551 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-167.04 |
3.04 |
-8.55 |
-0.16 |
0 |
|
|
76903 |
48425554 |
1 |
SO2N5C14H19 |
AB2C5D14E19 |
-19.96 |
4.35 |
-9.12 |
-0.89 |
0 |
|
|
76904 |
48425555 |
2 |
NO2C9H13 |
AB2C9D13 |
-177.71 |
5.31 |
-9.4 |
-0.34 |
0 |
|
|
76905 |
48425556 |
1 |
BrFN3O3C16H21 |
ABC3D3E16F21 |
-172.4 |
2.96 |
-9.61 |
-1.04 |
0 |
|
|
76906 |
48425557 |
1 |
ClN2O3C16H23 |
AB2C3D16E23 |
-139.28 |
2.41 |
-8.88 |
-0.05 |
0 |
|
|
76907 |
48425558 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-147.1 |
3.89 |
-8.63 |
-0.37 |
0 |
|
|
76908 |
48425559 |
1 |
SN2O2C11H22 |
AB2C2D11E22 |
-117.73 |
3.14 |
-8.66 |
0.62 |
0 |
|
|
76909 |
48425560 |
1 |
N2O3C18H28 |
A2B3C18D28 |
-141.04 |
2.04 |
-8.91 |
0.38 |
0 |
|
|
76910 |
48425561 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-151.04 |
2.85 |
-9.16 |
0.2 |
0 |
|
|
76911 |
48425562 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-80.45 |
4.88 |
-9.58 |
-0.83 |
0 |
|
|
76912 |
48425563 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-129.08 |
3.95 |
-8.74 |
-0.25 |
0 |
|
|
76913 |
48425564 |
3 |
NOC5H9 |
ABC5D9 |
-167.76 |
6.59 |
-9.32 |
0.62 |
0 |
|
|
76914 |
48425566 |
2 |
ON2C5H8 |
AB2C5D8 |
-57.2 |
2.16 |
-9.6 |
-0.56 |
0 |
|
|
76915 |
48425567 |
1 |
O2N6C13H18 |
A2B6C13D18 |
-10.29 |
5.28 |
-9.61 |
-1.32 |
0 |
|
|
76916 |
48425570 |
3 |
NOC5H9 |
ABC5D9 |
-164.65 |
3.71 |
-9.31 |
0.88 |
0 |
|
|
76917 |
48425571 |
1 |
N3O4C14H21 |
A3B4C14D21 |
-157.9 |
4.86 |
-9.74 |
-0.11 |
0 |
|
|
76918 |
48425572 |
3 |
NOC4H7 |
ABC4D7 |
-154.45 |
5.89 |
-9.68 |
0.67 |
0 |
|
|
76919 |
48425573 |
1 |
O2N5C12H21 |
A2B5C12D21 |
-62.13 |
4.43 |
-9.38 |
-0.05 |
0 |
|
|
76920 |
48425577 |
3 |
NOC5H9 |
ABC5D9 |
-169.9 |
4.82 |
-9.67 |
0.63 |
0 |
|
|
76921 |
48425578 |
1 |
BrN2O2C17H25 |
AB2C2D17E25 |
-97.16 |
4.94 |
-9.26 |
0.06 |
0 |
|
|
76922 |
48425580 |
1 |
N3O3C13H23 |
A3B3C13D23 |
-142.16 |
3.38 |
-9.55 |
0.88 |
0 |
|
|
76923 |
48425581 |
3 |
NOC7H9 |
ABC7D9 |
-94.6 |
3.71 |
-9.38 |
-0.46 |
0 |
|
|
76924 |
48425583 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-35.24 |
2.36 |
-8.98 |
-0.82 |
0 |
|
|
76925 |
48425584 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-82.9 |
1.72 |
-9.06 |
-0.66 |
0 |
|
|
76926 |
48425585 |
1 |
SN3O4C15H29 |
AB3C4D15E29 |
-202.34 |
3.53 |
-9.28 |
0.09 |
0 |
|
|
76927 |
48425586 |
1 |
SN2O2C16H24 |
AB2C2D16E24 |
-90.07 |
3.95 |
-8.71 |
0.16 |
0 |
|
|
76928 |
48425587 |
1 |
ClO2F3N4C17H22 |
AB2C3D4E17F22 |
-241.7 |
6.39 |
-8.94 |
-0.75 |
0 |
|
|
76929 |
48425588 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-79.02 |
3.21 |
-8.5 |
-0.14 |
0 |
|
|
76930 |
48425589 |
1 |
ClO2N4C16H19 |
AB2C4D16E19 |
-35.86 |
3.56 |
-9.32 |
-0.99 |
0 |
|
|
76931 |
48425590 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-99.47 |
4.9 |
-9.03 |
-0.2 |
0 |
|
|
76932 |
48425591 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-126.57 |
1.42 |
-8.94 |
-0.17 |
0 |
|
|
76933 |
48425592 |
2 |
NOF2C10H10 |
ABC2D10E10 |
-261.77 |
3.98 |
-9.74 |
-0.8 |
0 |
|
|
76934 |
48425593 |
1 |
N3O3C16H25 |
A3B3C16D25 |
-128.64 |
0.29 |
-9.47 |
-0.49 |
0 |
|
|
76935 |
48425594 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-163.72 |
1.21 |
-9.5 |
0.92 |
0 |
|
|
76936 |
48425596 |
1 |
FN2O2C19H21 |
AB2C2D19E21 |
-98.45 |
4.43 |
-9.35 |
-0.49 |
0 |
|
|
76937 |
48425597 |
1 |
FO3N4C18H23 |
AB3C4D18E23 |
-139.99 |
5.2 |
-9.46 |
-0.58 |
0 |
|
|
76938 |
48425598 |
1 |
BrO3N4C16H23 |
AB3C4D16E23 |
-125.35 |
4.84 |
-8.96 |
-0.25 |
0 |
|
|
76939 |
48425599 |
1 |
N2O2F3C14H23 |
A2B2C3D14E23 |
-291.73 |
5.18 |
-9.76 |
0.65 |
0 |
|
|
76940 |
48425602 |
2 |
ON2C8H14 |
AB2C8D14 |
-96.86 |
4.04 |
-9.38 |
0.33 |
0 |
|
|
76941 |
48425603 |
1 |
O2F3N3C14H24 |
A2B3C3D14E24 |
-276.92 |
6.97 |
-9.13 |
0.76 |
0 |
|
|
76942 |
48425604 |
1 |
O3N4C16H30 |
A3B4C16D30 |
-175.31 |
5.79 |
-9.07 |
0.6 |
0 |
|
|
76943 |
48425605 |
1 |
ClO3N6C15H19 |
AB3C6D15E19 |
-37.0 |
7.12 |
-9.7 |
-1.66 |
0 |
|
|
76944 |
48425609 |
1 |
SO3N4C15H24 |
AB3C4D15E24 |
-134.9 |
4.47 |
-8.89 |
-0.36 |
0 |
|
|
76945 |
48425610 |
1 |
SN2O4C20H24 |
AB2C4D20E24 |
-130.19 |
4.35 |
-9.61 |
-0.62 |
0 |
|
|
76946 |
48425611 |
1 |
SN2O4C21H26 |
AB2C4D21E26 |
-142.66 |
5.24 |
-9.52 |
-0.53 |
0 |
|
|
76947 |
48425612 |
1 |
SN2O3C15H22 |
AB2C3D15E22 |
-117.22 |
1.6 |
-8.81 |
-0.38 |
0 |
|
|
76948 |
48425613 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-77.82 |
4.86 |
-9.18 |
-0.36 |
0 |
|
|
76949 |
48425614 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-48.37 |
1.08 |
-9.05 |
-0.43 |
0 |
|
|
76950 |
48425615 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-157.3 |
2.68 |
-9.55 |
0.92 |
0 |
|
|
76951 |
48425616 |
1 |
N3O3C12H17 |
A3B3C12D17 |
-73.3 |
1.07 |
-9.51 |
-1.06 |
0 |