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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
21648 |
589408 |
1 |
ON5C18H19 |
AB5C18D19 |
70.5 |
4.92 |
-9.33 |
-0.77 |
0 |
|
|
21649 |
589411 |
1 |
OC12H16 |
AB12C16 |
-51.64 |
2.07 |
-8.93 |
0.35 |
0 |
|
|
21650 |
589413 |
1 |
ON2C9H10 |
AB2C9D10 |
33.27 |
2.57 |
-9.22 |
-0.62 |
0 |
|
|
21651 |
589414 |
1 |
ON2C11H12 |
AB2C11D12 |
1.07 |
5.43 |
-8.85 |
-0.1 |
0 |
|
|
21652 |
589418 |
1 |
O2N6C19H20 |
A2B6C19D20 |
105.14 |
8.87 |
-8.54 |
-1.26 |
0 |
|
|
21653 |
589419 |
1 |
ClFNOH7C8 |
ABCDE7F8 |
-83.71 |
3.4 |
-9.12 |
-0.56 |
0 |
|
|
21654 |
589428 |
1 |
FNOSCl2H10C14 |
ABCDE2F10G14 |
-59.58 |
4.91 |
-9.19 |
-1.02 |
0 |
|
|
21655 |
589431 |
1 |
Si3C5H16 |
A3B5C16 |
-77.3 |
1.21 |
-9.44 |
1.14 |
0 |
|
|
21656 |
589434 |
1 |
OF3N4H7C13 |
AB3C4D7E13 |
-59.41 |
8.92 |
-9.93 |
-1.38 |
0 |
|
|
21657 |
589435 |
2 |
OC7H10 |
AB7C10 |
-105.5 |
1.85 |
-8.91 |
0.52 |
0 |
|
|
21658 |
589436 |
1 |
O2N3H9C10 |
A2B3C9D10 |
-1.73 |
5.13 |
-11.51 |
-1.26 |
0 |
|
|
21659 |
589440 |
1 |
NC14H21 |
AB14C21 |
21.65 |
2.16 |
-8.41 |
0.7 |
0 |
|
|
21660 |
589441 |
4 |
C3H4 |
A3B4 |
-10.09 |
0.56 |
-8.73 |
0.61 |
0 |
|
|
21661 |
589444 |
4 |
C3H4 |
A3B4 |
5.11 |
0.66 |
-8.78 |
0.61 |
0 |
|
|
21662 |
589446 |
1 |
SiC10H12 |
AB10C12 |
11.11 |
0.77 |
-8.75 |
-0.06 |
0 |
|
|
21663 |
589458 |
1 |
ClON3C6H8 |
ABC3D6E8 |
-8.78 |
4.75 |
-8.88 |
-0.7 |
0 |
|
|
21664 |
589459 |
1 |
OF4H6C8 |
AB4C6D8 |
-234.07 |
2.96 |
-10.48 |
-0.94 |
0 |
|
|
21665 |
589463 |
1 |
ClNF3O3H7C17 |
ABC3D3E7F17 |
-182.88 |
3.13 |
-9.64 |
-2.07 |
0 |
|
|
21666 |
589464 |
1 |
NCl2F3O3H8C18 |
AB2C3D3E8F18 |
-207.85 |
1.92 |
-10.04 |
-2.28 |
0 |
|
|
21667 |
589468 |
1 |
O2N3H5C8 |
A2B3C5D8 |
60.54 |
4.13 |
-10.51 |
-2.14 |
0 |
|
|
21668 |
589471 |
1 |
S2Cl4O4H8C13 |
A2B4C4D8E13 |
-131.06 |
5.49 |
-9.54 |
-1.46 |
0 |
|
|
21669 |
589476 |
1 |
O2N3C11H11 |
A2B3C11D11 |
-18.07 |
8.23 |
-9.96 |
-0.77 |
0 |
|
|
21670 |
589479 |
1 |
NOC27H27 |
ABC27D27 |
55.13 |
4.15 |
-8.96 |
-0.6 |
0 |
|
|
21671 |
589480 |
1 |
ON3H9C10 |
AB3C9D10 |
12.65 |
3.75 |
-9.24 |
-1.0 |
0 |
|
|
21672 |
589481 |
1 |
N3C11H13 |
A3B11C13 |
34.57 |
3.03 |
-8.94 |
-0.63 |
0 |
|
|
21673 |
589482 |
1 |
NO3C11H11 |
AB3C11D11 |
-115.44 |
6.94 |
-9.46 |
-0.6 |
0 |
|
|
21674 |
589484 |
2 |
C7H10 |
A7B10 |
-19.79 |
1.26 |
-8.91 |
0.68 |
0 |
|
|
21675 |
589485 |
1 |
ON2C11H12 |
AB2C11D12 |
-20.29 |
3.24 |
-8.83 |
-0.41 |
0 |
|
|
21676 |
589486 |
2 |
C7H10 |
A7B10 |
-17.9 |
1.12 |
-8.9 |
0.69 |
0 |
|
|
21677 |
589495 |
1 |
O2N4H6C9 |
A2B4C6D9 |
78.58 |
3.63 |
-9.64 |
-2.44 |
0 |
|
|
21678 |
589497 |
1 |
O5H6C10 |
A5B6C10 |
-151.69 |
6.82 |
-10.25 |
-2.09 |
0 |
|
|
21679 |
589509 |
1 |
ON4C12H16 |
AB4C12D16 |
14.98 |
3.92 |
-8.29 |
-0.63 |
0 |
|
|
21680 |
589512 |
1 |
O2N3H13C15 |
A2B3C13D15 |
52.07 |
3.31 |
-8.96 |
-1.07 |
0 |
|
|
21681 |
589518 |
1 |
OSiC19H42 |
ABC19D42 |
-184.8 |
1.78 |
-9.6 |
1.55 |
0 |
|
|
21682 |
589521 |
4 |
C5H8 |
A5B8 |
-48.2 |
0.53 |
-8.71 |
0.63 |
0 |
|
|
21683 |
589524 |
1 |
C31H54 |
A31B54 |
-95.99 |
0.96 |
-8.9 |
0.64 |
0 |
|
|
21684 |
589528 |
1 |
SO2N4H16C17 |
AB2C4D16E17 |
19.64 |
7.21 |
-9.23 |
-0.77 |
0 |
|
|
21685 |
589529 |
1 |
BrO2N3H10C11 |
AB2C3D10E11 |
-56.57 |
8.12 |
-9.34 |
-0.64 |
0 |
|
|
21686 |
589531 |
1 |
FSN2H15C17 |
ABC2D15E17 |
21.64 |
2.07 |
-8.52 |
-0.63 |
0 |
|
|
21687 |
589532 |
1 |
O3C19H26 |
A3B19C26 |
-112.28 |
4.36 |
-8.71 |
-0.83 |
0 |
|
|
21688 |
589533 |
1 |
ClN2O2F3H8C12 |
AB2C2D3E8F12 |
-171.06 |
3.55 |
-9.36 |
-1.48 |
0 |
|
|
21689 |
589534 |
1 |
SN4H16C17 |
AB4C16D17 |
99.72 |
3.84 |
-8.68 |
-0.59 |
0 |
|
|
21690 |
589535 |
1 |
SN7H13C14 |
AB7C13D14 |
122.6 |
4.57 |
-8.86 |
-1.0 |
0 |
|
|
21691 |
589538 |
2 |
OC11H12 |
AB11C12 |
-64.1 |
4.1 |
-8.32 |
0.6 |
0 |
|
|
21692 |
589549 |
1 |
N2C11H16 |
A2B11C16 |
48.56 |
5.55 |
-9.59 |
0.01 |
0 |
|
|
21693 |
589550 |
1 |
ClNO4C12H14 |
ABC4D12E14 |
-172.79 |
1.2 |
-9.56 |
-0.85 |
0 |
|
|
21694 |
589552 |
1 |
ON2C17H24 |
AB2C17D24 |
-30.7 |
3.47 |
-8.87 |
-0.43 |
0 |
|
|
21695 |
589554 |
2 |
ON2H4C5 |
AB2C4D5 |
20.08 |
1.78 |
-8.61 |
-0.74 |
0 |
|
|
21696 |
589557 |
1 |
NOC10H11 |
ABC10D11 |
-8.88 |
5.81 |
-9.91 |
-0.61 |
0 |
|
|
21697 |
589558 |
1 |
O4C31H60 |
A4B31C60 |
-303.05 |
3.41 |
-10.51 |
0.66 |
0 |
|
|
21698 |
589569 |
1 |
N2O2H16C17 |
A2B2C16D17 |
-6.42 |
3.66 |
-8.76 |
-0.62 |
0 |
|
|
21699 |
589570 |
1 |
O3C20H26 |
A3B20C26 |
-146.39 |
2.57 |
-8.92 |
0.1 |
0 |
|
|
21700 |
589578 |
1 |
S2N3O4C8H11 |
A2B3C4D8E11 |
-97.74 |
2.81 |
-8.97 |
-1.82 |
0 |
|
|
21701 |
589580 |
1 |
N2O2S2C5H6 |
A2B2C2D5E6 |
-37.97 |
6.87 |
-9.52 |
-1.46 |
0 |
|
|
21702 |
589584 |
2 |
SN3H4C5 |
AB3C4D5 |
134.58 |
7.16 |
-8.94 |
-1.27 |
0 |
|
|
21703 |
589587 |
2 |
FOH2C3 |
ABC2D3 |
-152.46 |
1.51 |
-9.1 |
-0.69 |
0 |
|
|
21704 |
589588 |
2 |
NOC6H6 |
ABC6D6 |
-43.08 |
3.98 |
-8.69 |
-0.64 |
0 |
|
|
21705 |
589596 |
2 |
SiO3C5H10 |
AB3C5D10 |
-350.09 |
3.0 |
-10.09 |
-0.4 |
0 |
|
|
21706 |
589597 |
1 |
Si3O9C39H68 |
A3B9C39D68 |
-566.7 |
2.16 |
-8.7 |
0.65 |
0 |
|
|
21707 |
589598 |
1 |
Si3O9C39H68 |
A3B9C39D68 |
-575.57 |
5.61 |
-9.57 |
-0.3 |
0 |
|
|
21708 |
589599 |
1 |
Si3O5C15H36 |
A3B5C15D36 |
-394.76 |
2.41 |
-9.61 |
1.1 |
0 |
|
|
21709 |
589601 |
1 |
Si3O6C17H40 |
A3B6C17D40 |
-438.8 |
1.23 |
-9.56 |
1.08 |
0 |
|
|
21710 |
589602 |
1 |
Si4O6C19H46 |
A4B6C19D46 |
-499.98 |
2.02 |
-9.6 |
0.98 |
0 |
|
|
21711 |
589603 |
2 |
NOSiC9H15 |
ABCD9E15 |
-159.5 |
4.91 |
-9.47 |
0.19 |
0 |
|
|
21712 |
589616 |
1 |
ClON3H12C15 |
ABC3D12E15 |
29.5 |
2.98 |
-9.18 |
-0.76 |
0 |
|
|
21713 |
589618 |
1 |
ON3H13C15 |
AB3C13D15 |
41.47 |
4.33 |
-9.19 |
-0.46 |
0 |
|
|
21714 |
589619 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-88.38 |
4.7 |
-8.77 |
-0.22 |
0 |
|
|
21715 |
589620 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-49.42 |
3.92 |
-8.65 |
-0.63 |
0 |
|
|
21716 |
589622 |
1 |
NP2C8H21 |
AB2C8D21 |
-19.7 |
3.72 |
-8.63 |
2.45 |
0 |
|
|
21717 |
589623 |
1 |
NC12H17 |
AB12C17 |
-0.42 |
2.2 |
-8.17 |
0.56 |
0 |
|
|
21718 |
589624 |
1 |
S2N3O7H13C16 |
A2B3C7D13E16 |
-58.38 |
3.94 |
-10.06 |
-1.7 |
0 |
|
|
21719 |
589625 |
1 |
SN2O4C11H22 |
AB2C4D11E22 |
-152.48 |
2.93 |
-9.6 |
-0.45 |
0 |
|
|
21720 |
589639 |
1 |
N2O3C10H12 |
A2B3C10D12 |
-57.54 |
2.64 |
-9.48 |
-0.76 |
0 |
|
|
21721 |
589640 |
1 |
OC14H18 |
AB14C18 |
55.49 |
4.61 |
-9.01 |
-0.31 |
0 |
|
|
21722 |
589642 |
1 |
ON2H6C8 |
AB2C6D8 |
20.55 |
7.01 |
-8.79 |
-1.4 |
0 |
|
|
21723 |
589645 |
1 |
O2C21H32 |
A2B21C32 |
-123.46 |
2.18 |
-9.1 |
0.55 |
0 |
|
|
21724 |
589655 |
1 |
BO4C11H13 |
AB4C11D13 |
-205.03 |
1.01 |
-9.69 |
-0.14 |
0 |
|
|
21725 |
589656 |
1 |
BO5C12H15 |
AB5C12D15 |
-251.17 |
2.46 |
-9.51 |
0.05 |
0 |
|
|
21726 |
589666 |
1 |
O2C13H18 |
A2B13C18 |
-78.09 |
3.49 |
-9.87 |
0.78 |
0 |
|
|
21727 |
589669 |
1 |
OC10H10 |
AB10C10 |
-28.48 |
2.97 |
-9.54 |
-0.41 |
0 |
|
|
21728 |
589674 |
1 |
ON2H6C8 |
AB2C6D8 |
0.15 |
1.65 |
-9.69 |
-1.25 |
0 |
|
|
21729 |
589680 |
1 |
ON2H6C8 |
AB2C6D8 |
3.57 |
3.77 |
-9.33 |
-1.22 |
0 |
|
|
21730 |
589683 |
1 |
C11H14 |
A11B14 |
22.64 |
0.33 |
-8.09 |
0.84 |
0 |
|
|
21731 |
589684 |
1 |
NO2H13C16 |
AB2C13D16 |
-10.59 |
3.38 |
-8.67 |
-0.69 |
0 |
|
|
21732 |
589686 |
1 |
N4C9H10 |
A4B9C10 |
91.45 |
2.8 |
-9.1 |
-0.46 |
0 |
|
|
21733 |
589695 |
2 |
ON2C5H5 |
AB2C5D5 |
-0.52 |
4.41 |
-10.01 |
-1.84 |
0 |
|
|
21734 |
589705 |
1 |
FSCl2N2O3H7C8 |
ABC2D2E3F7G8 |
-117.74 |
4.58 |
-9.68 |
-1.24 |
0 |
|
|
21735 |
589711 |
1 |
NSi2C6H19 |
AB2C6D19 |
-91.09 |
1.2 |
-8.82 |
1.26 |
0 |
|
|
21736 |
589714 |
1 |
OC16H24 |
AB16C24 |
-61.86 |
2.4 |
-9.07 |
0.42 |
0 |
|
|
21737 |
589715 |
1 |
OC10H10 |
AB10C10 |
19.77 |
3.17 |
-9.12 |
-0.22 |
0 |
|
|
21738 |
589716 |
1 |
O4C11H12 |
A4B11C12 |
-157.49 |
7.27 |
-10.3 |
-1.08 |
0 |
|
|
21739 |
589719 |
1 |
NOC13H19 |
ABC13D19 |
-33.56 |
2.56 |
-9.09 |
-0.22 |
0 |
|
|
21740 |
589721 |
1 |
OC14H18 |
AB14C18 |
-30.17 |
2.44 |
-9.27 |
0.17 |
0 |
|
|
21741 |
589723 |
1 |
OC16H20 |
AB16C20 |
-20.24 |
0.82 |
-9.02 |
0.47 |
0 |
|
|
21742 |
589732 |
1 |
ClOSN3C21H22 |
ABCD3E21F22 |
12.87 |
6.77 |
-8.62 |
-0.69 |
0 |
|
|
21743 |
589733 |
1 |
SN3C10H13 |
AB3C10D13 |
37.2 |
1.16 |
-8.38 |
-0.2 |
0 |
|
|
21744 |
589742 |
1 |
B2O5C18H18 |
A2B5C18D18 |
-281.47 |
1.26 |
-9.66 |
-0.12 |
0 |
|
|
21745 |
589745 |
1 |
N2C9H10 |
A2B9C10 |
54.82 |
2.94 |
-8.59 |
-0.23 |
0 |
|
|
21746 |
589746 |
1 |
ON3H17C18 |
AB3C17D18 |
73.17 |
3.54 |
-8.81 |
-0.45 |
0 |
|
|
21747 |
589747 |
1 |
SH6C9 |
AB6C9 |
124.49 |
1.56 |
-8.98 |
-0.64 |
0 |