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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
444582 |
135262904 |
2 |
N2O3C28H30 |
A2B3C28D30 |
-130.81 |
8.92 |
-8.41 |
-0.08 |
0 |
|
|
444583 |
135262905 |
1 |
N2O3C28H30 |
A2B3C28D30 |
-65.85 |
4.07 |
-8.57 |
-0.01 |
0 |
|
|
444584 |
135262906 |
1 |
NO3C15H17 |
AB3C15D17 |
-96.0 |
5.13 |
-8.6 |
0.04 |
0 |
|
|
444585 |
135262907 |
1 |
SN2O4C12H14 |
AB2C4D12E14 |
-129.74 |
6.68 |
-9.31 |
-0.66 |
0 |
|
|
444586 |
135262908 |
1 |
N3O4C25H25 |
A3B4C25D25 |
-78.49 |
1.36 |
-8.95 |
-0.96 |
0 |
|
|
444587 |
135262909 |
1 |
N2O4C15H16 |
A2B4C15D16 |
-133.11 |
6.96 |
-9.23 |
-0.81 |
0 |
|
|
444588 |
135262911 |
1 |
NO3C16H17 |
AB3C16D17 |
-73.5 |
6.7 |
-8.86 |
-0.37 |
0 |
|
|
444589 |
135262916 |
1 |
NSO4C14H17 |
ABC4D14E17 |
-128.19 |
3.38 |
-9.33 |
-0.1 |
0 |
|
|
444590 |
135262920 |
1 |
NO3C14H17 |
AB3C14D17 |
-115.64 |
1.77 |
-8.98 |
-0.61 |
0 |
|
|
444591 |
135262926 |
1 |
N2O2C19H26 |
A2B2C19D26 |
-45.54 |
4.3 |
-8.52 |
0.18 |
0 |
|
|
444592 |
135262930 |
1 |
N3O4C30H33 |
A3B4C30D33 |
-113.69 |
4.21 |
-8.81 |
-0.48 |
0 |
|
|
444593 |
135262953 |
1 |
SN2O5C29H34 |
AB2C5D29E34 |
-131.15 |
10.88 |
-8.47 |
-0.1 |
0 |
|
|
444594 |
135262959 |
1 |
SN3O5C31H39 |
AB3C5D31E39 |
-163.69 |
6.87 |
-8.66 |
-0.4 |
0 |
|
|
444595 |
135262980 |
1 |
BrNOH14C22 |
ABCD14E22 |
65.81 |
3.38 |
-7.74 |
-0.92 |
0 |
|
|
444596 |
135262981 |
2 |
O2C7H8 |
A2B7C8 |
-147.46 |
4.8 |
-9.3 |
-0.43 |
0 |
|
|
444597 |
135262983 |
1 |
ClSN4O4C23H25 |
ABC4D4E23F25 |
-98.74 |
3.09 |
-9.09 |
-0.91 |
0 |
|
|
444598 |
135262984 |
1 |
SN3O5C32H41 |
AB3C5D32E41 |
-164.74 |
9.41 |
-8.74 |
-0.32 |
0 |
|
|
444599 |
135262998 |
1 |
SN2O5C26H30 |
AB2C5D26E30 |
-166.79 |
5.98 |
-8.94 |
-0.22 |
0 |
|
|
444600 |
135263003 |
1 |
FO2N5C24H30 |
AB2C5D24E30 |
-79.08 |
4.92 |
-8.4 |
-0.31 |
0 |
|
|
444601 |
135263008 |
1 |
NSO2C11H17 |
ABC2D11E17 |
-46.29 |
1.9 |
-8.08 |
-0.33 |
0 |
|
|
444602 |
135263009 |
1 |
NSO2C11H17 |
ABC2D11E17 |
-48.12 |
3.12 |
-8.32 |
-0.38 |
0 |
|
|
444603 |
135263010 |
1 |
NO4C12H13 |
AB4C12D13 |
-152.48 |
6.24 |
-9.19 |
-0.86 |
0 |
|
|
444604 |
135263011 |
1 |
FNSO4C12H14 |
ABCD4E12F14 |
-193.77 |
6.52 |
-8.75 |
-0.41 |
0 |
|
|
444605 |
135263012 |
1 |
ClSN3O4C11H16 |
ABC3D4E11F16 |
-176.19 |
4.38 |
-9.73 |
-1.06 |
0 |
|
|
444606 |
135263013 |
1 |
SN3O4C11H15 |
AB3C4D11E15 |
-142.64 |
1.89 |
-9.65 |
-0.98 |
0 |
|
|
444607 |
135263014 |
1 |
NSO5C12H13 |
ABC5D12E13 |
-148.53 |
1.41 |
-9.0 |
-0.76 |
0 |
|
|
444608 |
135263015 |
1 |
ClON2C17H23 |
ABC2D17E23 |
-44.22 |
1.38 |
-8.88 |
0.3 |
0 |
|
|
444609 |
135263020 |
1 |
N2O4C29H32 |
A2B4C29D32 |
-96.23 |
4.99 |
-8.99 |
-0.2 |
0 |
|
|
444610 |
135263021 |
1 |
N3O4C33H37 |
A3B4C33D37 |
-85.14 |
5.3 |
-8.5 |
-0.31 |
0 |
|
|
444611 |
135263022 |
1 |
N3O3C26H33 |
A3B3C26D33 |
-110.95 |
3.16 |
-8.7 |
-0.54 |
0 |
|
|
444612 |
135263023 |
1 |
ClNSO4H24C25 |
ABCD4E24F25 |
-98.78 |
3.21 |
-9.22 |
-0.4 |
0 |
|
|
444613 |
135263024 |
1 |
SN3O5C33H41 |
AB3C5D33E41 |
-167.82 |
5.15 |
-8.6 |
-0.39 |
0 |
|
|
444614 |
135263025 |
1 |
ClO3N6C25H33 |
AB3C6D25E33 |
-67.67 |
3.28 |
-8.87 |
-0.9 |
0 |
|
|
444615 |
135263027 |
1 |
SN2O4C27H30 |
AB2C4D27E30 |
-104.42 |
5.03 |
-8.81 |
-0.24 |
0 |
|
|
444616 |
135263028 |
1 |
FO2N6H23C24 |
AB2C6D23E24 |
9.23 |
1.76 |
-8.59 |
-0.74 |
0 |
|
|
444617 |
135263029 |
1 |
SN2O5C27H28 |
AB2C5D27E28 |
-149.81 |
6.37 |
-9.02 |
-0.63 |
0 |
|
|
444618 |
135263030 |
1 |
BrSN2O4H21C22 |
ABC2D4E21F22 |
-110.64 |
6.45 |
-8.86 |
-0.35 |
0 |
|
|
444619 |
135263031 |
1 |
O3N4C28H28 |
A3B4C28D28 |
-51.5 |
10.41 |
-8.96 |
-0.89 |
0 |
|
|
444620 |
135263032 |
1 |
FO3N6C25H31 |
AB3C6D25E31 |
-80.09 |
2.21 |
-8.61 |
-0.62 |
0 |
|
|
444621 |
135263035 |
1 |
SO4N5C28H35 |
AB4C5D28E35 |
-100.39 |
6.56 |
-8.78 |
-0.56 |
0 |
|
|
444622 |
135263036 |
1 |
SN3O5C14H19 |
AB3C5D14E19 |
-181.51 |
6.61 |
-9.44 |
-0.78 |
0 |
|
|
444623 |
135263038 |
1 |
SN2O4C15H20 |
AB2C4D15E20 |
-124.96 |
5.07 |
-9.09 |
-0.49 |
0 |
|
|
444624 |
135263039 |
1 |
BrNO4H22C24 |
ABC4D22E24 |
-72.23 |
2.29 |
-8.83 |
-0.22 |
0 |
|
|
444625 |
135263040 |
1 |
N2O3C28H30 |
A2B3C28D30 |
-47.01 |
2.57 |
-8.53 |
-0.08 |
0 |
|
|
444626 |
135263041 |
3 |
NOC10H11 |
ABC10D11 |
-73.1 |
4.74 |
-8.73 |
-0.33 |
0 |
|
|
444627 |
135263042 |
1 |
SN3O4C30H35 |
AB3C4D30E35 |
-88.56 |
7.12 |
-8.56 |
-0.29 |
0 |
|
|
444628 |
135263043 |
1 |
OSN6C24H28 |
ABC6D24E28 |
45.76 |
2.35 |
-8.39 |
-0.97 |
0 |
|
|
444629 |
135263044 |
1 |
ClON2C18H23 |
ABC2D18E23 |
-13.59 |
3.87 |
-8.92 |
0.18 |
0 |
|
|
444630 |
135263047 |
1 |
BrOSN3H24C25 |
ABCD3E24F25 |
27.58 |
1.67 |
-8.52 |
-0.39 |
0 |
|
|
444631 |
135263049 |
1 |
BrZnO2C5H7 |
ABC2D5E7 |
-55.26 |
1.59 |
-9.29 |
-1.29 |
0 |
|
|
444632 |
135263053 |
1 |
BrSN2O5H21C22 |
ABC2D5E21F22 |
-134.63 |
6.52 |
-8.86 |
-0.5 |
0 |
|
|
444633 |
135263054 |
1 |
O3H12C13 |
A3B12C13 |
-86.61 |
2.79 |
-10.12 |
-0.96 |
0 |
|
|
444634 |
135263055 |
1 |
NSO5C14H19 |
ABC5D14E19 |
-198.74 |
7.99 |
-8.64 |
-0.33 |
0 |
|
|
444635 |
135263081 |
1 |
N3O3C34H41 |
A3B3C34D41 |
-73.47 |
3.73 |
-8.46 |
-0.2 |
0 |
|
|
444636 |
135263087 |
1 |
NO3C15H17 |
AB3C15D17 |
-95.88 |
3.54 |
-8.7 |
-0.23 |
0 |
|
|
444637 |
135263097 |
1 |
NSO4C14H19 |
ABC4D14E19 |
-162.81 |
6.42 |
-8.66 |
-0.14 |
0 |
|
|
444638 |
135263102 |
1 |
SN2O2C14H22 |
AB2C2D14E22 |
-42.37 |
6.05 |
-8.22 |
0.11 |
0 |
|
|
444639 |
135263111 |
1 |
SN2O6C25H26 |
AB2C6D25E26 |
-148.61 |
6.93 |
-8.57 |
-0.41 |
0 |
|
|
444640 |
135263114 |
1 |
NOC13H15 |
ABC13D15 |
7.95 |
5.35 |
-8.88 |
-0.36 |
0 |
|
|
444641 |
135263116 |
1 |
NO3C11H11 |
AB3C11D11 |
-119.48 |
2.09 |
-9.15 |
-0.61 |
0 |
|
|
444642 |
135263117 |
1 |
SN3O4C28H33 |
AB3C4D28E33 |
-95.76 |
4.77 |
-9.03 |
-0.56 |
0 |
|
|
444643 |
135263118 |
1 |
BrNSO3C17H18 |
ABCD3E17F18 |
-68.69 |
3.76 |
-9.4 |
-0.55 |
0 |
|
|
444644 |
135263119 |
1 |
SN3O4C11H15 |
AB3C4D11E15 |
-124.81 |
3.96 |
-9.42 |
-0.97 |
0 |
|
|
444645 |
135263120 |
1 |
NO2C14H19 |
AB2C14D19 |
-61.34 |
6.88 |
-8.71 |
-0.23 |
0 |
|
|
444646 |
135263121 |
1 |
SN3O4C13H17 |
AB3C4D13E17 |
-111.28 |
6.63 |
-9.43 |
-0.75 |
0 |
|
|
444647 |
135263125 |
1 |
SN2O4C11H14 |
AB2C4D11E14 |
-142.51 |
6.15 |
-9.32 |
-0.84 |
0 |
|
|
444648 |
135263133 |
1 |
NSO2C13H19 |
ABC2D13E19 |
-54.16 |
2.29 |
-8.18 |
-0.19 |
0 |
|
|
444649 |
135263134 |
1 |
SN2O4C29H34 |
AB2C4D29E34 |
-111.68 |
4.34 |
-8.65 |
-0.02 |
0 |
|
|
444650 |
135263135 |
1 |
NOCl2C12H13 |
ABC2D12E13 |
-37.13 |
4.65 |
-9.49 |
-0.32 |
0 |
|
|
444651 |
135263137 |
1 |
SN4O4C24H28 |
AB4C4D24E28 |
-101.87 |
8.03 |
-9.13 |
-0.57 |
0 |
|
|
444652 |
135263139 |
1 |
F2O2N3C28H35 |
A2B2C3D28E35 |
-108.38 |
2.87 |
-8.11 |
-0.1 |
0 |
|
|
444653 |
135263142 |
1 |
NSO4C13H17 |
ABC4D13E17 |
-157.03 |
2.69 |
-9.65 |
-0.63 |
0 |
|
|
444654 |
135263144 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-114.56 |
3.36 |
-8.79 |
-0.3 |
0 |
|
|
444655 |
135263147 |
1 |
SN3O4C31H39 |
AB3C4D31E39 |
-120.68 |
6.06 |
-8.07 |
-0.21 |
0 |
|
|
444656 |
135263154 |
1 |
IN3O3C10H14 |
AB3C3D10E14 |
-63.44 |
4.63 |
-9.29 |
-1.36 |
0 |
|
|
444657 |
135263155 |
1 |
O2N3C10H19 |
A2B3C10D19 |
-72.78 |
7.61 |
-8.88 |
0.05 |
0 |
|
|
444658 |
135263157 |
1 |
N2O2C19H26 |
A2B2C19D26 |
-46.25 |
3.0 |
-8.35 |
0.34 |
0 |
|
|
444659 |
135263159 |
1 |
SN3O4C31H37 |
AB3C4D31E37 |
-118.39 |
7.04 |
-8.69 |
-0.11 |
0 |
|
|
444660 |
135263160 |
1 |
SN3O4C31H39 |
AB3C4D31E39 |
-129.83 |
4.5 |
-8.59 |
-0.09 |
0 |
|
|
444661 |
135263163 |
1 |
SN3O4C31H35 |
AB3C4D31E35 |
-103.26 |
3.09 |
-8.61 |
-0.98 |
0 |
|
|
444662 |
135263164 |
1 |
BrNSO2C17H22 |
ABCD2E17F22 |
-50.44 |
3.18 |
-8.26 |
0.09 |
0 |
|
|
444663 |
135263165 |
1 |
NF2O4C14H17 |
AB2C4D14E17 |
-242.51 |
3.85 |
-9.94 |
-1.22 |
0 |
|
|
444664 |
135263168 |
1 |
ClO2F4N4C25H29 |
AB2C4D4E25F29 |
-229.12 |
2.02 |
-8.3 |
-0.76 |
0 |
|
|
444665 |
135263170 |
1 |
BrNSO3C12H16 |
ABCD3E12F16 |
-99.23 |
5.1 |
-8.98 |
-0.52 |
0 |
|
|
444666 |
135263171 |
1 |
ClSN3O4C29H32 |
ABC3D4E29F32 |
-83.5 |
4.31 |
-8.79 |
-0.38 |
0 |
|
|
444667 |
135263172 |
1 |
SO3N6C24H32 |
AB3C6D24E32 |
-42.43 |
6.35 |
-8.68 |
-0.68 |
0 |
|
|
444668 |
135263173 |
1 |
SN2O2C12H14 |
AB2C2D12E14 |
-51.15 |
0.56 |
-8.52 |
-0.33 |
0 |
|
|
444669 |
135263175 |
1 |
N3O4C28H29 |
A3B4C28D29 |
-97.44 |
3.5 |
-8.89 |
-0.59 |
0 |
|
|
444670 |
135263187 |
1 |
IN2O2C16H17 |
AB2C2D16E17 |
9.64 |
4.18 |
-8.94 |
-1.2 |
0 |
|
|
444671 |
135263193 |
1 |
NSO4C12H13 |
ABC4D12E13 |
-125.22 |
4.51 |
-8.99 |
-0.26 |
0 |
|
|
444672 |
135263209 |
1 |
ClON2C16H19 |
ABC2D16E19 |
-0.56 |
2.48 |
-8.95 |
0.16 |
0 |
|
|
444673 |
135263231 |
1 |
N3O3C31H33 |
A3B3C31D33 |
-22.58 |
7.19 |
-8.76 |
-0.61 |
0 |
|
|
444674 |
135263240 |
1 |
SO2N5C21H27 |
AB2C5D21E27 |
-14.18 |
6.79 |
-8.27 |
-0.76 |
0 |
|
|
444675 |
135263241 |
1 |
FO2C17H21 |
AB2C17D21 |
-113.36 |
3.52 |
-9.79 |
-0.82 |
0 |
|
|
444676 |
135263243 |
1 |
FO2C17H21 |
AB2C17D21 |
-113.96 |
3.7 |
-9.79 |
-0.88 |
0 |
|
|
444677 |
135263244 |
1 |
NSO5C13H17 |
ABC5D13E17 |
-196.87 |
8.73 |
-9.4 |
-0.78 |
0 |
|
|
444678 |
135263245 |
3 |
ON2C9H12 |
AB2C9D12 |
-39.6 |
5.49 |
-8.78 |
-0.79 |
0 |
|
|
444679 |
135263251 |
1 |
NSO2C17H23 |
ABC2D17E23 |
-47.98 |
2.41 |
-8.33 |
0.28 |
0 |
|
|
444680 |
135263252 |
1 |
ClNOC15H20 |
ABCD15E20 |
-48.22 |
3.13 |
-8.74 |
0.35 |
0 |
|
|
444681 |
135263254 |
1 |
SN3O5C31H39 |
AB3C5D31E39 |
-158.16 |
4.25 |
-8.53 |
-0.28 |
0 |