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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
9576 |
91145 |
1 |
O3C10H18 |
A3B10C18 |
-133.6 |
3.4 |
-10.31 |
0.36 |
0 |
|
|
9577 |
91146 |
1 |
SO3N4C10H14 |
AB3C4D10E14 |
-19.66 |
11.16 |
-9.15 |
-1.06 |
0 |
|
|
9578 |
91150 |
1 |
C13H22 |
A13B22 |
-4.73 |
1.58 |
-9.03 |
1.27 |
0 |
|
|
9579 |
91151 |
1 |
O2C15H26 |
A2B15C26 |
-146.5 |
2.34 |
-10.24 |
0.96 |
0 |
|
|
9580 |
91189 |
1 |
N2O3H22C24 |
A2B3C22D24 |
-47.96 |
4.93 |
-8.23 |
-0.62 |
0 |
|
|
9581 |
91192 |
1 |
SN3O4C13H15 |
AB3C4D13E15 |
-57.17 |
6.48 |
-9.94 |
-1.03 |
0 |
|
|
9582 |
91222 |
1 |
S2N3C12H15 |
A2B3C12D15 |
69.25 |
3.27 |
-9.33 |
-0.44 |
0 |
|
|
9583 |
91223 |
1 |
SN2C11H14 |
AB2C11D14 |
37.32 |
3.33 |
-9.1 |
-0.23 |
0 |
|
|
9584 |
91224 |
3 |
C5H8 |
A5B8 |
-0.32 |
1.41 |
-8.3 |
1.2 |
0 |
|
|
9585 |
91225 |
1 |
S2N4O8H20C23 |
A2B4C8D20E23 |
-189.31 |
14.82 |
-9.1 |
-2.05 |
0 |
|
|
9586 |
91233 |
1 |
N2O5C17H24 |
A2B5C17D24 |
-226.57 |
3.12 |
-9.81 |
-0.22 |
0 |
|
|
9587 |
91262 |
1 |
N5H28C30 |
A5B28C30 |
145.72 |
4.17 |
0.0 |
0.0 |
1 |
|
|
9588 |
91263 |
1 |
O7C26H36 |
A7B26C36 |
-336.66 |
7.93 |
-9.59 |
-0.23 |
0 |
|
|
9589 |
91264 |
1 |
Cl3H9C10 |
A3B9C10 |
5.16 |
2.35 |
-9.56 |
-0.3 |
0 |
|
|
9590 |
91266 |
1 |
NBr2C4H5 |
AB2C4D5 |
19.4 |
3.92 |
-11.06 |
-1.6 |
0 |
|
|
9591 |
91274 |
1 |
ClNO2S2C20H26 |
ABC2D2E20F26 |
-83.1 |
6.07 |
-8.78 |
-0.3 |
0 |
|
|
9592 |
91276 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-123.69 |
4.3 |
-8.74 |
0.29 |
0 |
|
|
9593 |
91278 |
1 |
ON3C19H19 |
AB3C19D19 |
56.93 |
6.32 |
-8.25 |
-1.08 |
0 |
|
|
9594 |
91281 |
1 |
NO2C8H13 |
AB2C8D13 |
-113.77 |
3.85 |
-10.3 |
0.09 |
0 |
|
|
9595 |
91282 |
1 |
NOC13H13 |
ABC13D13 |
1.71 |
3.87 |
-9.99 |
-0.22 |
0 |
|
|
9596 |
91286 |
2 |
NSO3C10H10 |
ABC3D10E10 |
-210.25 |
8.48 |
-9.03 |
-0.88 |
0 |
|
|
9597 |
91296 |
1 |
Cl2N2C7H12 |
A2B2C7D12 |
-47.54 |
6.17 |
-8.96 |
-0.08 |
0 |
|
|
9598 |
91299 |
1 |
O2N3C10H17 |
A2B3C10D17 |
-50.64 |
5.14 |
-9.46 |
-0.29 |
0 |
|
|
9599 |
91346 |
1 |
NO4C10H13 |
AB4C10D13 |
-151.97 |
5.19 |
-9.44 |
-0.48 |
0 |
|
|
9600 |
91360 |
3 |
NOC4H9 |
ABC4D9 |
-149.6 |
3.84 |
-8.88 |
1.79 |
0 |
|
|
9601 |
91361 |
2 |
OC9H18 |
AB9C18 |
-172.07 |
2.09 |
-10.78 |
0.88 |
0 |
|
|
9602 |
91403 |
1 |
ClO2N3C5H8 |
AB2C3D5E8 |
-14.84 |
6.76 |
-9.99 |
-1.06 |
0 |
|
|
9603 |
91407 |
1 |
NBr2O2C14H21 |
AB2C2D14E21 |
-65.19 |
3.36 |
-8.69 |
-0.42 |
0 |
|
|
9604 |
91425 |
2 |
OC8H16 |
AB8C16 |
-163.2 |
5.06 |
-10.73 |
0.74 |
0 |
|
|
9605 |
91434 |
1 |
NO6C14H17 |
AB6C14D17 |
-215.26 |
5.34 |
-10.18 |
-0.54 |
0 |
|
|
9606 |
91477 |
1 |
OC27H44 |
AB27C44 |
-111.13 |
5.71 |
-9.71 |
0.09 |
0 |
|
|
9607 |
91486 |
1 |
NO2C18H39 |
AB2C18D39 |
-174.41 |
3.6 |
-9.48 |
2.36 |
0 |
|
|
9608 |
91487 |
1 |
Cl2H2O3C4 |
A2B2C3D4 |
-114.34 |
3.15 |
-10.46 |
-1.63 |
0 |
|
|
9609 |
91489 |
2 |
OC2N2H3 |
AB2C2D3 |
-32.1 |
3.53 |
-9.99 |
-0.85 |
0 |
|
|
9610 |
91514 |
1 |
NO3C10H11 |
AB3C10D11 |
-110.8 |
6.73 |
-10.19 |
-0.77 |
0 |
|
|
9611 |
91544 |
1 |
NOC24H39 |
ABC24D39 |
-81.47 |
3.68 |
-8.82 |
0.12 |
0 |
|
|
9612 |
91548 |
1 |
BrClC2H2O2 |
ABC2D2E2 |
-85.68 |
2.99 |
-11.27 |
-1.72 |
0 |
|
|
9613 |
91556 |
1 |
O4C25H30 |
A4B25C30 |
-85.41 |
4.28 |
-8.27 |
-1.02 |
0 |
|
|
9614 |
91558 |
1 |
ClN2O2C20H25 |
AB2C2D20E25 |
-58.33 |
2.38 |
-9.01 |
-0.94 |
0 |
|
|
9615 |
91563 |
1 |
O2C3H6 |
A2B3C6 |
-71.01 |
3.3 |
-10.32 |
0.18 |
0 |
|
|
9616 |
91564 |
1 |
ClBr2C4H7 |
AB2C4D7 |
-30.05 |
2.0 |
-10.52 |
-0.86 |
0 |
|
|
9617 |
91570 |
1 |
MnZnN4C8S8H12 |
ABC4D8E8F12 |
176.54 |
4.52 |
0.0 |
0.0 |
0 |
|
|
9618 |
91576 |
1 |
O6C7H14 |
A6B7C14 |
-275.51 |
1.54 |
-10.5 |
1.04 |
0 |
|
|
9619 |
91578 |
1 |
S5N6O16C24H48 |
A5B6C16D24E48 |
-682.62 |
4.96 |
-7.64 |
-1.29 |
0 |
|
|
9620 |
91627 |
1 |
ClNO3C14H18 |
ABC3D14E18 |
-133.41 |
6.45 |
-9.94 |
-0.5 |
0 |
|
|
9621 |
91631 |
2 |
H2Cl3C6 |
A2B3C6 |
2.17 |
0.82 |
-9.82 |
-1.25 |
0 |
|
|
9622 |
91633 |
1 |
H3Cl7C12 |
A3B7C12 |
-4.2 |
1.14 |
-9.7 |
-1.24 |
0 |
|
|
9623 |
91639 |
4 |
O6C11H16 |
A6B11C16 |
-1019.59 |
2.4 |
-9.38 |
-1.09 |
0 |
|
|
9624 |
91667 |
1 |
BrF2O7C25H29 |
AB2C7D25E29 |
-384.77 |
6.97 |
-10.14 |
-0.98 |
0 |
|
|
9625 |
91707 |
1 |
ClNO5H16C18 |
ABC5D16E18 |
-129.54 |
3.05 |
-9.23 |
-0.78 |
0 |
|
|
9626 |
91721 |
2 |
HCl4C6 |
AB4C6 |
-8.36 |
1.07 |
-9.73 |
-1.31 |
0 |
|
|
9627 |
91728 |
1 |
Cl5H5C12 |
A5B5C12 |
10.49 |
3.35 |
-9.73 |
-0.93 |
0 |
|
|
9628 |
91754 |
1 |
ClOSN2C19H25 |
ABCD2E19F25 |
-24.25 |
4.2 |
-9.02 |
-1.12 |
0 |
|
|
9629 |
91765 |
1 |
NSO3C17H27 |
ABC3D17E27 |
-128.86 |
3.52 |
-8.52 |
-0.25 |
0 |
|
|
9630 |
91777 |
1 |
S2N5O7C9H15 |
A2B5C7D9E15 |
-247.77 |
5.19 |
-9.42 |
-1.21 |
0 |
|
|
9631 |
91788 |
1 |
ClON2C15H27 |
ABC2D15E27 |
-61.12 |
10.52 |
-8.47 |
0.31 |
0 |
|
|
9632 |
91789 |
1 |
ON2C15H27 |
AB2C15D27 |
-13.61 |
1.69 |
0.0 |
0.0 |
1 |
|
|
9633 |
91794 |
1 |
O6C7H12 |
A6B7C12 |
-248.14 |
1.34 |
-10.33 |
-0.28 |
0 |
|
|
9634 |
91803 |
2 |
O2C6H11 |
A2B6C11 |
-236.58 |
3.58 |
-10.64 |
0.94 |
0 |
|
|
9635 |
91804 |
1 |
ClN3O3C9H16 |
AB3C3D9E16 |
-109.88 |
3.06 |
-10.21 |
-0.92 |
0 |
|
|
9636 |
91807 |
1 |
NaSN3O6H18C21 |
ABC3D6E18F21 |
-216.32 |
10.95 |
-8.87 |
-1.29 |
0 |
|
|
9637 |
91813 |
2 |
ClNC8H10 |
ABC8D10 |
4.91 |
2.69 |
-8.74 |
-0.1 |
0 |
|
|
9638 |
91822 |
1 |
ClNC13H30 |
ABC13D30 |
-64.49 |
11.67 |
-8.12 |
0.48 |
0 |
|
|
9639 |
91829 |
1 |
NSNa2O9C26H45 |
ABC2D9E26F45 |
-515.16 |
22.2 |
-9.19 |
-0.6 |
0 |
|
|
9640 |
91831 |
2 |
C13H20 |
A13B20 |
-40.7 |
0.69 |
-8.68 |
-0.31 |
0 |
|
|
9641 |
91833 |
2 |
OC2H5 |
AB2C5 |
-111.26 |
1.23 |
-10.53 |
1.98 |
0 |
|
|
9642 |
91837 |
1 |
CP2H6O7 |
AB2C6D7 |
-435.32 |
2.21 |
-11.96 |
-0.19 |
0 |
|
|
9643 |
91838 |
1 |
S2N7O7H19C22 |
A2B7C7D19E22 |
-94.08 |
9.2 |
-8.31 |
-2.29 |
0 |
|
|
9644 |
91840 |
1 |
NS2O3C11H14 |
AB2C3D11E14 |
-109.74 |
5.74 |
0.0 |
0.0 |
1 |
|
|
9645 |
91841 |
1 |
NSO3C9H13 |
ABC3D9E13 |
-84.94 |
16.39 |
-9.69 |
-1.86 |
0 |
|
|
9646 |
91844 |
3 |
OC6H6 |
AB6C6 |
-82.98 |
2.34 |
-9.5 |
-0.55 |
0 |
|
|
9647 |
91848 |
1 |
S2N4O5C12H12 |
A2B4C5D12E12 |
-89.13 |
3.86 |
-9.41 |
-1.37 |
0 |
|
|
9648 |
91849 |
2 |
OC6H8 |
AB6C8 |
-85.2 |
1.63 |
-9.6 |
0.1 |
0 |
|
|
9649 |
91886 |
1 |
NaN2O3C16H29 |
AB2C3D16E29 |
-192.23 |
6.62 |
-8.57 |
0.35 |
0 |
|
|
9650 |
91909 |
1 |
OC11H18 |
AB11C18 |
-49.32 |
2.93 |
-9.22 |
1.17 |
0 |
|
|
9651 |
91922 |
1 |
ClNO2C25H46 |
ABC2D25E46 |
-149.52 |
9.21 |
-8.46 |
-0.06 |
0 |
|
|
9652 |
91992 |
1 |
ClNaH4O4C8 |
ABC4D4E8 |
-206.89 |
7.66 |
-10.18 |
-1.14 |
0 |
|
|
9653 |
91993 |
1 |
O3C19H40 |
A3B19C40 |
-202.71 |
3.1 |
-9.71 |
1.51 |
0 |
|
|
9654 |
92014 |
1 |
NOC11H15 |
ABC11D15 |
-42.93 |
4.67 |
-9.67 |
-0.28 |
0 |
|
|
9655 |
92024 |
1 |
NO8C10H19 |
AB8C10D19 |
-359.82 |
3.56 |
-10.32 |
0.15 |
0 |
|
|
9656 |
92028 |
1 |
O6C29H54 |
A6B29C54 |
-372.3 |
5.56 |
-10.64 |
0.13 |
0 |
|
|
9657 |
92037 |
1 |
PS2O4C9H21 |
AB2C4D9E21 |
-251.88 |
4.76 |
-8.73 |
-0.09 |
0 |
|
|
9658 |
92040 |
1 |
NCl3O3H6C9 |
AB3C3D6E9 |
-116.68 |
4.36 |
-9.99 |
-1.49 |
0 |
|
|
9659 |
92041 |
1 |
FN2O2C6H7 |
AB2C2D6E7 |
-105.72 |
5.48 |
-9.74 |
-0.82 |
0 |
|
|
9660 |
92051 |
2 |
NO2C5H7 |
AB2C5D7 |
-77.89 |
8.27 |
-8.62 |
-0.72 |
0 |
|
|
9661 |
92078 |
1 |
SeSiC10H16 |
ABC10D16 |
-15.33 |
1.6 |
-8.13 |
0.05 |
0 |
|
|
9662 |
92079 |
2 |
OC17H35 |
AB17C35 |
-252.48 |
1.03 |
-10.21 |
2.17 |
0 |
|
|
9663 |
92119 |
3 |
OC5H6 |
AB5C6 |
-90.67 |
8.77 |
-9.89 |
-0.31 |
0 |
|
|
9664 |
92124 |
1 |
NSO2C6H13 |
ABC2D6E13 |
-103.57 |
3.79 |
-8.96 |
0.42 |
0 |
|
|
9665 |
92130 |
2 |
NH6C7 |
AB6C7 |
103.79 |
0.08 |
-9.07 |
-0.94 |
0 |
|
|
9666 |
92134 |
2 |
NC7H7 |
AB7C7 |
55.01 |
2.36 |
-7.92 |
-0.07 |
0 |
|
|
9667 |
92135 |
1 |
O3C4H8 |
A3B4C8 |
-147.56 |
4.7 |
-10.84 |
0.33 |
0 |
|
|
9668 |
92138 |
1 |
OC15H26 |
AB15C26 |
-68.1 |
2.07 |
-9.53 |
1.22 |
0 |
|
|
9669 |
92157 |
2 |
OC16H26 |
AB16C26 |
-174.79 |
3.09 |
-9.49 |
0.98 |
0 |
|
|
9670 |
92163 |
1 |
ClON2C13H21 |
ABC2D13E21 |
-73.63 |
5.57 |
-8.78 |
0.12 |
0 |
|
|
9671 |
92173 |
1 |
ClNSO2C5H12 |
ABCD2E5F12 |
-136.91 |
5.91 |
-9.42 |
0.07 |
0 |
|
|
9672 |
92176 |
1 |
NSO3C21H45 |
ABC3D21E45 |
-192.09 |
14.77 |
-9.52 |
-0.24 |
0 |
|
|
9673 |
92198 |
1 |
N2C21H36 |
A2B21C36 |
-43.09 |
2.65 |
-9.1 |
1.49 |
0 |
|
|
9674 |
92209 |
1 |
O3C4H8 |
A3B4C8 |
-136.12 |
5.58 |
-10.73 |
0.57 |
0 |
|
|
9675 |
92210 |
2 |
OC3H6 |
AB3C6 |
-106.57 |
1.68 |
-9.82 |
1.7 |
0 |