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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
35450 |
7979885 |
1 |
N2S2O3C18H22 |
A2B2C3D18E22 |
-89.45 |
6.99 |
-9.17 |
-0.56 |
0 |
|
|
35451 |
7979886 |
1 |
ClN2O4C17H17 |
AB2C4D17E17 |
-61.4 |
4.09 |
-9.06 |
-1.83 |
0 |
|
|
35452 |
7979893 |
1 |
ClN2O5C19H19 |
AB2C5D19E19 |
-100.23 |
6.54 |
-9.32 |
-1.43 |
0 |
|
|
35453 |
7979894 |
1 |
SN2O3C20H30 |
AB2C3D20E30 |
-141.48 |
7.57 |
-9.09 |
-0.59 |
0 |
|
|
35454 |
7979897 |
1 |
SN2O3C22H28 |
AB2C3D22E28 |
-101.45 |
4.55 |
-9.34 |
-0.59 |
0 |
|
|
35455 |
7979898 |
1 |
ClN2O4H15C18 |
AB2C4D15E18 |
-34.14 |
2.11 |
-8.88 |
-1.59 |
0 |
|
|
35456 |
7979901 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-93.68 |
2.34 |
-9.0 |
-0.55 |
0 |
|
|
35457 |
7979902 |
1 |
ClN2O5C17H17 |
AB2C5D17E17 |
-92.83 |
4.09 |
-8.95 |
-1.54 |
0 |
|
|
35458 |
7979903 |
1 |
ClSN2O3C21H23 |
ABC2D3E21F23 |
-82.82 |
3.83 |
-9.14 |
-0.61 |
0 |
|
|
35459 |
7979904 |
1 |
SN2O3C21H26 |
AB2C3D21E26 |
-105.26 |
1.93 |
-9.02 |
-0.56 |
0 |
|
|
35460 |
7979905 |
1 |
ClN2O5C17H17 |
AB2C5D17E17 |
-87.65 |
10.6 |
-9.12 |
-1.22 |
0 |
|
|
35461 |
7979906 |
1 |
SN2O3C21H30 |
AB2C3D21E30 |
-125.17 |
6.18 |
-9.08 |
-0.54 |
0 |
|
|
35462 |
7979907 |
1 |
ClN3O5C14H16 |
AB3C5D14E16 |
-128.38 |
6.43 |
-9.89 |
-1.69 |
0 |
|
|
35463 |
7979908 |
1 |
SN2O3C21H30 |
AB2C3D21E30 |
-123.72 |
4.95 |
-9.29 |
-0.56 |
0 |
|
|
35464 |
7979909 |
1 |
SN2O3C21H32 |
AB2C3D21E32 |
-147.72 |
4.06 |
-9.06 |
-0.55 |
0 |
|
|
35465 |
7979910 |
1 |
BrClN2O4H12C15 |
ABC2D4E12F15 |
-48.19 |
4.75 |
-9.08 |
-1.84 |
0 |
|
|
35466 |
7979911 |
1 |
ClSN2O3C20H23 |
ABC2D3E20F23 |
-104.89 |
7.52 |
-9.17 |
-0.57 |
0 |
|
|
35467 |
7979912 |
1 |
FCl2N2O4H11C15 |
AB2C2D4E11F15 |
-105.08 |
4.03 |
-9.23 |
-1.71 |
0 |
|
|
35468 |
7979913 |
1 |
FCl2N2O4H11C15 |
AB2C2D4E11F15 |
-105.27 |
4.31 |
-9.2 |
-1.74 |
0 |
|
|
35469 |
7979915 |
1 |
N4O4C21H22 |
A4B4C21D22 |
-77.99 |
2.19 |
-8.78 |
-1.17 |
0 |
|
|
35470 |
7979916 |
1 |
Cl2N2O5H14C16 |
A2B2C5D14E16 |
-97.11 |
1.25 |
-8.78 |
-1.65 |
0 |
|
|
35471 |
7979919 |
1 |
SO3N4C19H20 |
AB3C4D19E20 |
-36.85 |
2.28 |
-9.15 |
-1.11 |
0 |
|
|
35472 |
7979920 |
1 |
ClFN2O4H12C15 |
ABC2D4E12F15 |
-88.65 |
6.66 |
-9.47 |
-1.38 |
0 |
|
|
35473 |
7979921 |
1 |
FSO3N4H19C20 |
ABC3D4E19F20 |
-77.93 |
1.37 |
-9.11 |
-1.18 |
0 |
|
|
35474 |
7979924 |
1 |
ClN2O6H13C16 |
AB2C6D13E16 |
-113.76 |
3.41 |
-8.53 |
-1.79 |
0 |
|
|
35475 |
7979925 |
2 |
N2O2C11H12 |
A2B2C11D12 |
-88.66 |
1.92 |
-8.64 |
-1.16 |
0 |
|
|
35476 |
7979926 |
1 |
ClN2O6H13C16 |
AB2C6D13E16 |
-113.97 |
4.43 |
-8.49 |
-1.82 |
0 |
|
|
35477 |
7979927 |
2 |
N2O2C7H8 |
A2B2C7D8 |
-104.26 |
3.26 |
-9.38 |
-1.22 |
0 |
|
|
35478 |
7979928 |
1 |
O3N5H15C17 |
A3B5C15D17 |
-12.8 |
3.26 |
-9.33 |
-1.06 |
0 |
|
|
35479 |
7979929 |
1 |
ClN3O4H12C16 |
AB3C4D12E16 |
-18.03 |
7.03 |
-9.44 |
-1.87 |
0 |
|
|
35480 |
7979930 |
1 |
N4O4C21H22 |
A4B4C21D22 |
-76.1 |
2.49 |
-8.76 |
-1.19 |
0 |
|
|
35481 |
7979931 |
1 |
ClO3N4H15C18 |
AB3C4D15E18 |
-32.17 |
0.89 |
-9.23 |
-1.18 |
0 |
|
|
35482 |
7979932 |
1 |
ClN2O4H17C21 |
AB2C4D17E21 |
-24.6 |
3.1 |
-9.21 |
-1.49 |
0 |
|
|
35483 |
7979933 |
1 |
SN4O4H18C19 |
AB4C4D18E19 |
-64.66 |
4.95 |
-9.4 |
-1.16 |
0 |
|
|
35484 |
7979934 |
1 |
ClN2O4H17C21 |
AB2C4D17E21 |
-25.13 |
2.61 |
-8.98 |
-1.63 |
0 |
|
|
35485 |
7979935 |
1 |
N2Cl3O4H11C15 |
A2B3C4D11E15 |
-68.06 |
4.63 |
-9.15 |
-1.8 |
0 |
|
|
35486 |
7979936 |
1 |
F3O3N4H15C19 |
A3B3C4D15E19 |
-184.42 |
2.17 |
-9.41 |
-1.27 |
0 |
|
|
35487 |
7979937 |
1 |
N2Cl3O4H11C15 |
A2B3C4D11E15 |
-65.37 |
2.7 |
-9.52 |
-1.63 |
0 |
|
|
35488 |
7979938 |
1 |
O3N4H18C20 |
A3B4C18D20 |
-10.79 |
3.12 |
-9.13 |
-1.08 |
0 |
|
|
35489 |
7979939 |
1 |
ClN2O6H15C17 |
AB2C6D15E17 |
-117.37 |
3.56 |
-8.78 |
-1.7 |
0 |
|
|
35490 |
7979940 |
1 |
Cl2O3N4H14C18 |
A2B3C4D14E18 |
-38.97 |
1.89 |
-9.46 |
-1.21 |
0 |
|
|
35491 |
7979942 |
1 |
O3N4H18C19 |
A3B4C18D19 |
-32.34 |
1.77 |
-9.22 |
-1.08 |
0 |
|
|
35492 |
7979943 |
1 |
O3N4C20H20 |
A3B4C20D20 |
-36.97 |
1.5 |
-9.28 |
-1.18 |
0 |
|
|
35493 |
7979944 |
1 |
O4N5H19C20 |
A4B5C19D20 |
-69.95 |
2.54 |
-9.4 |
-1.13 |
0 |
|
|
35494 |
7979945 |
1 |
ClNO3H16C19 |
ABC3D16E19 |
-71.68 |
2.57 |
-8.73 |
-0.85 |
0 |
|
|
35495 |
7979946 |
1 |
O3N4H18C22 |
A3B4C18D22 |
-8.12 |
2.87 |
-9.28 |
-1.09 |
0 |
|
|
35496 |
7979947 |
4 |
NOC5H5 |
ABC5D5 |
-73.22 |
2.45 |
-8.9 |
-1.07 |
0 |
|
|
35497 |
7979948 |
1 |
ClFO3N4H16C19 |
ABC3D4E16F19 |
-85.36 |
2.12 |
-9.22 |
-1.11 |
0 |
|
|
35498 |
7979952 |
1 |
O3N4C21H22 |
A3B4C21D22 |
-43.2 |
1.84 |
-9.36 |
-1.1 |
0 |
|
|
35499 |
7979953 |
1 |
O3N4C21H22 |
A3B4C21D22 |
-42.01 |
1.75 |
-9.2 |
-1.11 |
0 |
|
|
35500 |
7979954 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-89.54 |
2.16 |
-9.18 |
-1.09 |
0 |
|
|
35501 |
7979955 |
1 |
SN4O4C20H20 |
AB4C4D20E20 |
-66.83 |
5.79 |
-8.81 |
-1.02 |
0 |
|
|
35502 |
7979957 |
1 |
N4O4H20C21 |
A4B4C20D21 |
-51.54 |
4.08 |
-9.14 |
-1.07 |
0 |
|
|
35503 |
7979958 |
1 |
FO3N4H17C19 |
AB3C4D17E19 |
-79.61 |
2.74 |
-9.36 |
-1.1 |
0 |
|
|
35504 |
7979959 |
1 |
FO3N4H17C20 |
AB3C4D17E20 |
-58.69 |
1.64 |
-9.2 |
-1.13 |
0 |
|
|
35505 |
7979960 |
2 |
N2O2C11H11 |
A2B2C11D11 |
-73.97 |
3.15 |
-8.89 |
-1.09 |
0 |
|
|
35506 |
7979961 |
1 |
N4O5H16C21 |
A4B5C16D21 |
-87.26 |
5.34 |
-9.3 |
-1.78 |
0 |
|
|
35507 |
7979962 |
1 |
O3N4C20H20 |
A3B4C20D20 |
-43.29 |
3.77 |
-9.32 |
-1.05 |
0 |
|
|
35508 |
7979963 |
1 |
O4N5H21C22 |
A4B5C21D22 |
-72.17 |
5.91 |
-9.04 |
-1.03 |
0 |
|
|
35509 |
7979964 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-47.1 |
2.72 |
-9.35 |
-1.06 |
0 |
|
|
35510 |
7979965 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-46.16 |
2.42 |
-9.34 |
-1.09 |
0 |
|
|
35511 |
7979966 |
1 |
N4O4C23H26 |
A4B4C23D26 |
-91.1 |
1.96 |
-8.87 |
-1.09 |
0 |
|
|
35512 |
7979968 |
1 |
N4O4H20C23 |
A4B4C20D23 |
-45.06 |
2.16 |
-8.84 |
-1.12 |
0 |
|
|
35513 |
7979974 |
1 |
SN4O5C18H26 |
AB4C5D18E26 |
-184.89 |
8.5 |
-9.69 |
-1.09 |
0 |
|
|
35514 |
7979975 |
1 |
SN4O5C18H26 |
AB4C5D18E26 |
-183.48 |
7.28 |
-9.66 |
-1.02 |
0 |
|
|
35515 |
7979976 |
1 |
SN3O5C14H19 |
AB3C5D14E19 |
-169.93 |
2.48 |
-9.86 |
-1.15 |
0 |
|
|
35516 |
7979978 |
1 |
SN3O5C18H19 |
AB3C5D18E19 |
-107.62 |
4.95 |
-9.5 |
-1.17 |
0 |
|
|
35517 |
7979979 |
1 |
SN3O4C20H21 |
AB3C4D20E21 |
-76.57 |
4.32 |
-9.63 |
-1.02 |
0 |
|
|
35518 |
7979980 |
1 |
SN3O4C18H19 |
AB3C4D18E19 |
-87.33 |
4.75 |
-9.36 |
-1.13 |
0 |
|
|
35519 |
7979981 |
1 |
SN3O4C20H23 |
AB3C4D20E23 |
-102.99 |
6.39 |
-9.72 |
-1.06 |
0 |
|
|
35520 |
7979982 |
1 |
SN4O4H18C19 |
AB4C4D18E19 |
-52.69 |
5.06 |
-9.8 |
-1.43 |
0 |
|
|
35521 |
7979983 |
1 |
SN3O4C17H23 |
AB3C4D17E23 |
-133.09 |
4.0 |
-9.78 |
-0.99 |
0 |
|
|
35522 |
7979984 |
1 |
SN3O4C20H23 |
AB3C4D20E23 |
-109.41 |
3.45 |
-9.42 |
-1.07 |
0 |
|
|
35523 |
7979985 |
1 |
SN3O4C21H31 |
AB3C4D21E31 |
-152.22 |
7.96 |
-9.75 |
-1.17 |
0 |
|
|
35524 |
7979986 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-94.14 |
8.08 |
-9.53 |
-1.11 |
0 |
|
|
35525 |
7979987 |
1 |
O4H16C17 |
A4B16C17 |
-115.22 |
3.07 |
-9.01 |
-0.58 |
0 |
|
|
35526 |
7979988 |
1 |
SN3O4C20H27 |
AB3C4D20E27 |
-129.51 |
6.05 |
-9.75 |
-1.0 |
0 |
|
|
35527 |
7979989 |
1 |
SN3O4C20H27 |
AB3C4D20E27 |
-127.59 |
7.33 |
-9.7 |
-1.17 |
0 |
|
|
35528 |
7979990 |
1 |
SN3O4C20H29 |
AB3C4D20E29 |
-147.88 |
8.04 |
-9.75 |
-1.19 |
0 |
|
|
35529 |
7979991 |
1 |
N2F3O3C20H21 |
A2B3C3D20E21 |
-230.01 |
4.84 |
-9.23 |
-0.84 |
0 |
|
|
35530 |
7979992 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-90.13 |
3.72 |
-8.82 |
-0.48 |
0 |
|
|
35531 |
7979994 |
1 |
FN2O3C19H21 |
AB2C3D19E21 |
-113.06 |
2.62 |
-9.39 |
-0.42 |
0 |
|
|
35532 |
7979998 |
1 |
N2S2O3C17H20 |
A2B2C3D17E20 |
-93.39 |
2.89 |
-8.99 |
-1.17 |
0 |
|
|
35533 |
7979999 |
1 |
N2O3H24C25 |
A2B3C24D25 |
-41.19 |
3.13 |
-8.89 |
-0.8 |
0 |
|
|
35534 |
7980000 |
1 |
ClN2O3C23H29 |
AB2C3D23E29 |
-108.67 |
3.62 |
-8.87 |
-0.44 |
0 |
|
|
35535 |
7980002 |
1 |
BrFN2O2C20H20 |
ABC2D2E20F20 |
-64.12 |
1.64 |
-9.4 |
-1.04 |
0 |
|
|
35536 |
7980003 |
1 |
FSN2O2C20H23 |
ABC2D2E20F23 |
-87.89 |
3.57 |
-8.96 |
-0.52 |
0 |
|
|
35537 |
7980004 |
1 |
SN2O2C20H24 |
AB2C2D20E24 |
-39.15 |
2.14 |
-8.79 |
-0.59 |
0 |
|
|
35538 |
7980005 |
3 |
NOC6H9 |
ABC6D9 |
-130.85 |
4.09 |
-9.57 |
-0.47 |
0 |
|
|
35539 |
7980007 |
1 |
SN3O5C19H23 |
AB3C5D19E23 |
-150.99 |
5.81 |
-9.34 |
-0.93 |
0 |
|
|
35540 |
7980008 |
1 |
N2O4C23H24 |
A2B4C23D24 |
-72.29 |
2.27 |
-9.08 |
-0.76 |
0 |
|
|
35541 |
7980009 |
1 |
ClN3O3C20H22 |
AB3C3D20E22 |
-83.36 |
4.9 |
-9.61 |
-0.68 |
0 |
|
|
35542 |
7980010 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-97.63 |
3.32 |
-8.57 |
-0.46 |
0 |
|
|
35543 |
7980012 |
1 |
N3O4C18H21 |
A3B4C18D21 |
-105.1 |
4.19 |
-9.37 |
-0.72 |
0 |
|
|
35544 |
7980013 |
1 |
N3O4C24H31 |
A3B4C24D31 |
-134.0 |
4.07 |
-9.17 |
-0.45 |
0 |
|
|
35545 |
7980014 |
1 |
O3N4C21H22 |
A3B4C21D22 |
-41.47 |
3.71 |
-9.32 |
-1.08 |
0 |
|
|
35546 |
7980015 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-114.83 |
2.74 |
-9.77 |
-0.47 |
0 |
|
|
35547 |
7980016 |
1 |
FON2C17H19 |
ABC2D17E19 |
-48.19 |
2.19 |
-10.02 |
-0.93 |
0 |
|
|
35548 |
7980017 |
1 |
ClON2C17H19 |
ABC2D17E19 |
-10.13 |
1.28 |
-9.85 |
-0.97 |
0 |
|
|
35549 |
7980018 |
1 |
SN3O3C23H29 |
AB3C3D23E29 |
-82.43 |
5.69 |
-8.61 |
-0.48 |
0 |