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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
424918 |
135124451 |
1 |
SF3O4N6H33C35 |
AB3C4D6E33F35 |
-168.2 |
8.28 |
-8.68 |
-0.87 |
0 |
|
|
424919 |
135124452 |
1 |
SN3O4C26H35 |
AB3C4D26E35 |
-103.6 |
6.55 |
-8.72 |
0.12 |
0 |
|
|
424920 |
135124455 |
1 |
SF3O4N6C30H35 |
AB3C4D6E30F35 |
-227.33 |
9.36 |
-9.06 |
-0.92 |
0 |
|
|
424921 |
135124456 |
1 |
SF3N4O5C30H33 |
AB3C4D5E30F33 |
-270.18 |
8.77 |
-8.52 |
-0.99 |
0 |
|
|
424922 |
135124457 |
1 |
SF3N4O5C30H31 |
AB3C4D5E30F31 |
-264.05 |
6.79 |
-8.39 |
-0.86 |
0 |
|
|
424923 |
135124458 |
1 |
SF3N4O5C30H33 |
AB3C4D5E30F33 |
-270.17 |
8.56 |
-8.52 |
-0.98 |
0 |
|
|
424924 |
135124459 |
1 |
SN5O6C30H37 |
AB5C6D30E37 |
-146.2 |
7.63 |
-8.71 |
-1.0 |
0 |
|
|
424925 |
135124462 |
1 |
S2O4N6C35H40 |
A2B4C6D35E40 |
-39.29 |
11.01 |
-8.93 |
-0.86 |
0 |
|
|
424926 |
135124464 |
1 |
S2O4N6C35H40 |
A2B4C6D35E40 |
-38.44 |
9.07 |
-9.11 |
-0.74 |
0 |
|
|
424927 |
135124467 |
1 |
SN3O3C20H21 |
AB3C3D20E21 |
-53.72 |
5.74 |
-8.34 |
-1.17 |
0 |
|
|
424928 |
135124473 |
1 |
SF3O4N6C37H39 |
AB3C4D6E37F39 |
-202.7 |
0.85 |
-8.6 |
-1.03 |
0 |
|
|
424929 |
135124474 |
1 |
O3N6C34H38 |
A3B6C34D38 |
11.13 |
10.63 |
-8.61 |
-0.78 |
0 |
|
|
424930 |
135124480 |
1 |
ClFSN3O4C26H27 |
ABCD3E4F26G27 |
-105.39 |
3.9 |
-8.65 |
-0.97 |
0 |
|
|
424931 |
135124483 |
1 |
SO6C17H22 |
AB6C17D22 |
-220.53 |
6.52 |
-10.43 |
-1.0 |
0 |
|
|
424932 |
135124484 |
1 |
SO4N8C33H38 |
AB4C8D33E38 |
-12.61 |
5.84 |
-8.54 |
-0.75 |
0 |
|
|
424933 |
135124488 |
1 |
SN3O6C16H23 |
AB3C6D16E23 |
-136.36 |
5.94 |
-9.98 |
-1.56 |
0 |
|
|
424934 |
135124491 |
1 |
BrFNSO3C10H13 |
ABCDE3F10G13 |
-154.1 |
6.11 |
-10.11 |
-1.11 |
0 |
|
|
424935 |
135124498 |
1 |
INSF3H17C18 |
ABCD3E17F18 |
-100.5 |
6.21 |
-8.66 |
-0.71 |
0 |
|
|
424936 |
135124499 |
1 |
INSF3H17C18 |
ABCD3E17F18 |
-100.5 |
6.21 |
-8.66 |
-0.71 |
0 |
|
|
424937 |
135124501 |
1 |
ClS2N5O5C28H32 |
AB2C5D5E28F32 |
-99.2 |
8.24 |
-9.25 |
-1.27 |
0 |
|
|
424938 |
135124508 |
1 |
S2O5N6C28H34 |
A2B5C6D28E34 |
-93.8 |
7.88 |
-9.42 |
-1.03 |
0 |
|
|
424939 |
135124513 |
2 |
NOC5H10 |
ABC5D10 |
-106.04 |
4.12 |
-8.99 |
0.79 |
0 |
|
|
424940 |
135124515 |
1 |
N2O3C15H26 |
A2B3C15D26 |
-151.14 |
2.91 |
-9.38 |
0.62 |
0 |
|
|
424941 |
135124516 |
1 |
O3N4H18C20 |
A3B4C18D20 |
-14.01 |
2.24 |
-9.17 |
-1.04 |
0 |
|
|
424942 |
135124517 |
2 |
NO2C14H15 |
AB2C14D15 |
-84.55 |
6.08 |
-8.69 |
-0.29 |
0 |
|
|
424943 |
135124518 |
1 |
SN4O5C33H42 |
AB4C5D33E42 |
-127.61 |
2.5 |
-8.32 |
-0.56 |
0 |
|
|
424944 |
135124519 |
1 |
SN4O5C33H40 |
AB4C5D33E40 |
-126.94 |
9.66 |
-9.14 |
-0.62 |
0 |
|
|
424945 |
135124520 |
1 |
FN2O5H27C29 |
AB2C5D27E29 |
-151.13 |
7.07 |
-9.38 |
-0.52 |
0 |
|
|
424946 |
135124534 |
1 |
N3O4C19H19 |
A3B4C19D19 |
-37.55 |
4.69 |
-9.65 |
-0.7 |
0 |
|
|
424947 |
135124535 |
1 |
SO5N6C37H50 |
AB5C6D37E50 |
-146.79 |
5.82 |
-8.42 |
-0.59 |
0 |
|
|
424948 |
135124542 |
1 |
OF2N3H23C28 |
AB2C3D23E28 |
-20.86 |
9.12 |
-8.71 |
-1.06 |
0 |
|
|
424949 |
135124547 |
1 |
SN4O4C27H32 |
AB4C4D27E32 |
-72.41 |
4.41 |
-8.85 |
-0.66 |
0 |
|
|
424950 |
135124555 |
1 |
S2N4O5C27H36 |
A2B4C5D27E36 |
-140.58 |
9.07 |
-9.26 |
-0.76 |
0 |
|
|
424951 |
135124557 |
1 |
FNO5H26C29 |
ABC5D26E29 |
-120.42 |
5.09 |
-9.02 |
-0.61 |
0 |
|
|
424953 |
135124561 |
1 |
ClFSN3O3C18H19 |
ABCD3E3F18G19 |
-96.95 |
1.46 |
-9.36 |
-0.82 |
0 |
|
|
424954 |
135124563 |
1 |
ClFSN3O3C18H19 |
ABCD3E3F18G19 |
-96.19 |
1.49 |
-9.42 |
-0.82 |
0 |
|
|
424955 |
135124564 |
1 |
SF3O3N4C35H35 |
AB3C3D4E35F35 |
-180.82 |
7.74 |
-8.74 |
-0.69 |
0 |
|
|
424956 |
135124565 |
1 |
SO5N6C31H38 |
AB5C6D31E38 |
-109.62 |
9.05 |
-9.18 |
-1.07 |
0 |
|
|
424957 |
135124568 |
1 |
SO5N6C31H40 |
AB5C6D31E40 |
-120.03 |
4.5 |
-8.45 |
-0.66 |
0 |
|
|
424958 |
135124570 |
1 |
F3N3O3H26C27 |
A3B3C3D26E27 |
-241.96 |
2.64 |
-8.54 |
-0.34 |
0 |
|
|
424959 |
135124571 |
1 |
N3O3C25H31 |
A3B3C25D31 |
-112.33 |
2.34 |
-8.46 |
-0.26 |
0 |
|
|
424960 |
135124572 |
1 |
FNO5H30C31 |
ABC5D30E31 |
-168.82 |
7.1 |
-8.96 |
-0.45 |
0 |
|
|
424961 |
135124573 |
1 |
FNO5H30C31 |
ABC5D30E31 |
-168.99 |
5.05 |
-8.94 |
-0.42 |
0 |
|
|
424962 |
135124583 |
1 |
SO5N7C37H43 |
AB5C7D37E43 |
-72.5 |
4.73 |
-9.19 |
-1.0 |
0 |
|
|
424963 |
135124588 |
1 |
SO5N7C37H45 |
AB5C7D37E45 |
-75.74 |
3.91 |
-8.42 |
-1.08 |
0 |
|
|
424964 |
135124596 |
1 |
ClSN3O3C18H20 |
ABC3D3E18F20 |
-56.38 |
3.87 |
-9.19 |
-0.71 |
0 |
|
|
424965 |
135124615 |
1 |
OSC5H12 |
ABC5D12 |
-68.59 |
3.76 |
-9.12 |
0.39 |
0 |
|
|
424966 |
135124618 |
1 |
SO3N6C30H38 |
AB3C6D30E38 |
-24.21 |
8.41 |
-8.89 |
-1.07 |
0 |
|
|
424967 |
135124623 |
1 |
ClON2C10H21 |
ABC2D10E21 |
-103.62 |
5.85 |
-9.33 |
0.99 |
0 |
|
|
424968 |
135124625 |
1 |
SO5N6C35H40 |
AB5C6D35E40 |
-49.13 |
10.33 |
-8.91 |
-0.7 |
0 |
|
|
424969 |
135124632 |
1 |
O2N6C31H38 |
A2B6C31D38 |
6.81 |
4.16 |
-8.96 |
-0.42 |
0 |
|
|
424970 |
135124633 |
1 |
O2N6C31H38 |
A2B6C31D38 |
6.44 |
9.81 |
-8.91 |
-0.39 |
0 |
|
|
424971 |
135124637 |
1 |
O3N5C27H35 |
A3B5C27D35 |
-58.32 |
3.39 |
-9.04 |
-0.5 |
0 |
|
|
424972 |
135124638 |
1 |
SN4O4C28H34 |
AB4C4D28E34 |
-72.43 |
2.2 |
-8.74 |
-0.52 |
0 |
|
|
424973 |
135124639 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-72.92 |
3.0 |
-9.01 |
-0.44 |
0 |
|
|
424974 |
135124646 |
1 |
ClFNO5H29C31 |
ABCD5E29F31 |
-153.25 |
3.54 |
-8.85 |
-0.73 |
0 |
|
|
424975 |
135124649 |
1 |
FNO5H28C30 |
ABC5D28E30 |
-152.47 |
5.65 |
-8.98 |
-0.73 |
0 |
|
|
424976 |
135124652 |
1 |
FNO5H28C30 |
ABC5D28E30 |
-152.34 |
5.53 |
-9.02 |
-0.72 |
0 |
|
|
424977 |
135124671 |
1 |
SN3O4C27H31 |
AB3C4D27E31 |
-77.32 |
3.82 |
-8.75 |
-0.4 |
0 |
|
|
424978 |
135124677 |
1 |
BrO2F3N5H15C18 |
AB2C3D5E15F18 |
-97.43 |
4.81 |
-9.63 |
-0.81 |
0 |
|
|
424979 |
135124698 |
1 |
O2C9H20 |
A2B9C20 |
-83.88 |
3.01 |
-10.21 |
0.88 |
0 |
|
|
424980 |
135124710 |
1 |
N3O4C29H31 |
A3B4C29D31 |
-132.73 |
3.57 |
-8.53 |
-0.32 |
0 |
|
|
424981 |
135124711 |
1 |
N4O4C35H38 |
A4B4C35D38 |
-43.25 |
3.88 |
-8.37 |
-0.63 |
0 |
|
|
424982 |
135124713 |
1 |
ClN2O3C12H21 |
AB2C3D12E21 |
-155.91 |
5.19 |
-9.67 |
0.41 |
0 |
|
|
424983 |
135124715 |
1 |
F3N3O9C35H36 |
A3B3C9D35E36 |
-455.82 |
6.24 |
-9.04 |
-0.46 |
0 |
|
|
424984 |
135124723 |
1 |
SO4N6C34H40 |
AB4C6D34E40 |
-53.79 |
3.65 |
-9.2 |
-0.71 |
0 |
|
|
424985 |
135124724 |
2 |
OC4H6 |
AB4C6 |
-84.89 |
3.4 |
-9.13 |
-0.25 |
0 |
|
|
424986 |
135124725 |
1 |
SO4N6C34H42 |
AB4C6D34E42 |
-55.54 |
7.21 |
-8.4 |
-0.69 |
0 |
|
|
424987 |
135124726 |
1 |
SO5N6C38H46 |
AB5C6D38E46 |
-103.71 |
3.12 |
-8.46 |
-0.8 |
0 |
|
|
424988 |
135124727 |
1 |
SO5N6C38H44 |
AB5C6D38E44 |
-98.95 |
6.2 |
-9.24 |
-0.75 |
0 |
|
|
424989 |
135124728 |
1 |
O2N7C30H37 |
A2B7C30D37 |
51.82 |
2.11 |
-9.07 |
-0.68 |
0 |
|
|
424990 |
135124733 |
1 |
BrO2F3N5H15C18 |
AB2C3D5E15F18 |
-97.99 |
3.07 |
-9.82 |
-0.98 |
0 |
|
|
424991 |
135124746 |
1 |
OSC7H10 |
ABC7D10 |
-20.48 |
3.93 |
-9.28 |
-0.21 |
0 |
|
|
424992 |
135124750 |
1 |
N2O5F6H16C22 |
A2B5C6D16E22 |
-399.83 |
5.86 |
-9.53 |
-1.28 |
0 |
|
|
424993 |
135124752 |
1 |
O2F4H10C11 |
A2B4C10D11 |
-276.72 |
1.8 |
-10.06 |
-0.57 |
0 |
|
|
424994 |
135124763 |
1 |
N2O3C11H14 |
A2B3C11D14 |
-71.0 |
4.24 |
-9.3 |
0.03 |
0 |
|
|
424995 |
135124764 |
1 |
ClON3H16C27 |
ABC3D16E27 |
118.66 |
2.04 |
-9.22 |
-1.33 |
0 |
|
|
424996 |
135124767 |
1 |
ClN3C11H12 |
AB3C11D12 |
23.77 |
3.41 |
-9.62 |
-1.36 |
0 |
|
|
424997 |
135124771 |
1 |
BrN2O2F4C13H13 |
AB2C2D4E13F13 |
-248.84 |
0.91 |
-9.7 |
-0.51 |
0 |
|
|
424998 |
135124790 |
1 |
N3O4C26H29 |
A3B4C26D29 |
-92.44 |
2.26 |
-9.05 |
-0.77 |
0 |
|
|
424999 |
135124792 |
1 |
ON2C24H26 |
AB2C24D26 |
-3.73 |
2.58 |
-8.53 |
-0.54 |
0 |
|
|
425000 |
135124796 |
2 |
SN2O2C15H18 |
AB2C2D15E18 |
-89.02 |
5.72 |
-8.98 |
-0.57 |
0 |
|
|
425001 |
135124798 |
1 |
S2N5O5C26H35 |
A2B5C5D26E35 |
-127.83 |
4.97 |
-9.4 |
-1.12 |
0 |
|
|
425002 |
135124801 |
1 |
ClFNO5H29C31 |
ABCD5E29F31 |
-160.29 |
5.07 |
-9.01 |
-0.72 |
0 |
|
|
425003 |
135124802 |
1 |
SO3N5C28H39 |
AB3C5D28E39 |
-76.97 |
12.49 |
-8.75 |
-0.19 |
0 |
|
|
425004 |
135124803 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-64.84 |
2.75 |
-8.76 |
-0.47 |
0 |
|
|
425005 |
135124804 |
1 |
ClFNO5H29C31 |
ABCD5E29F31 |
-172.39 |
4.35 |
-8.97 |
-0.7 |
0 |
|
|
425006 |
135124805 |
1 |
SO3N5C28H39 |
AB3C5D28E39 |
-73.18 |
7.62 |
-9.01 |
-0.53 |
0 |
|
|
425007 |
135124821 |
1 |
FNSO6C32H34 |
ABCD6E32F34 |
-213.12 |
2.46 |
-8.7 |
-0.46 |
0 |
|
|
425008 |
135124824 |
1 |
FNO5C33H34 |
ABC5D33E34 |
-158.03 |
3.27 |
-8.81 |
-0.38 |
0 |
|
|
425009 |
135124834 |
2 |
NOC13H14 |
ABC13D14 |
-47.16 |
1.89 |
-8.77 |
-0.56 |
0 |
|
|
425010 |
135124853 |
1 |
SF3O4N6C28H29 |
AB3C4D6E28F29 |
-171.47 |
2.25 |
-8.66 |
-0.78 |
0 |
|
|
425011 |
135124856 |
2 |
NO2C13H13 |
AB2C13D13 |
-81.32 |
6.94 |
-8.42 |
-0.84 |
0 |
|
|
425012 |
135124863 |
1 |
BrO3N6C27H29 |
AB3C6D27E29 |
38.05 |
2.79 |
-8.71 |
-0.46 |
0 |
|
|
425013 |
135124865 |
1 |
ClN2O3H21C22 |
AB2C3D21E22 |
-40.98 |
2.27 |
-8.79 |
-0.98 |
0 |
|
|
425014 |
135124867 |
1 |
SN3O4C28H33 |
AB3C4D28E33 |
-77.98 |
5.38 |
-8.78 |
-0.55 |
0 |
|
|
425015 |
135124868 |
1 |
N2O2H26C27 |
A2B2C26D27 |
-2.6 |
5.0 |
-8.75 |
-0.77 |
0 |
|
|
425016 |
135124869 |
2 |
NO2C13H14 |
AB2C13D14 |
-125.91 |
2.62 |
-9.06 |
-0.64 |
0 |
|
|
425017 |
135124872 |
1 |
S2N5O5C29H35 |
A2B5C5D29E35 |
-111.11 |
8.27 |
-9.1 |
-0.98 |
0 |
|
|
425018 |
135124875 |
1 |
O3N4C16H18 |
A3B4C16D18 |
-89.72 |
5.26 |
-8.89 |
-0.67 |
0 |