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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
121662 |
50776314 |
6 |
NOC4H4 |
ABC4D4 |
-84.18 |
6.41 |
-8.62 |
-1.2 |
0 |
|
|
121663 |
50776315 |
2 |
N3O3C11H12 |
A3B3C11D12 |
-126.5 |
6.98 |
-9.45 |
-1.2 |
0 |
|
|
121664 |
50776316 |
2 |
O2N3H10C11 |
A2B3C10D11 |
2.43 |
1.84 |
-9.41 |
-1.23 |
0 |
|
|
121665 |
50776317 |
2 |
O2N3H10C11 |
A2B3C10D11 |
-7.43 |
8.31 |
-9.5 |
-1.22 |
0 |
|
|
121666 |
50776318 |
1 |
O4N7C25H25 |
A4B7C25D25 |
0.84 |
7.82 |
-9.24 |
-1.19 |
0 |
|
|
121667 |
50776319 |
1 |
SN4O4C22H36 |
AB4C4D22E36 |
-165.95 |
4.95 |
-8.58 |
-0.51 |
0 |
|
|
121668 |
50776320 |
1 |
SO3N4C23H38 |
AB3C4D23E38 |
-134.9 |
5.36 |
-8.71 |
-0.28 |
0 |
|
|
121669 |
50776321 |
1 |
ClS2O3N4C20H33 |
AB2C3D4E20F33 |
-114.83 |
4.64 |
-8.77 |
-1.36 |
0 |
|
|
121670 |
50776322 |
1 |
SO3N4C24H40 |
AB3C4D24E40 |
-143.83 |
6.19 |
-8.47 |
-0.44 |
0 |
|
|
121671 |
50776415 |
2 |
O2N3H12C13 |
A2B3C12D13 |
6.51 |
7.09 |
-9.45 |
-1.16 |
0 |
|
|
121672 |
50776416 |
1 |
O4N6C17H18 |
A4B6C17D18 |
-38.14 |
7.32 |
-9.5 |
-1.23 |
0 |
|
|
121673 |
50776489 |
1 |
O4N7C21H25 |
A4B7C21D25 |
-32.63 |
7.44 |
-9.04 |
-1.18 |
0 |
|
|
121674 |
50776490 |
2 |
O2N4C11H14 |
A2B4C11D14 |
-30.44 |
4.95 |
-8.49 |
-1.27 |
0 |
|
|
121675 |
50776505 |
1 |
O4N6C17H18 |
A4B6C17D18 |
-33.74 |
6.18 |
-9.74 |
-1.34 |
0 |
|
|
121676 |
50776526 |
2 |
O2N3C10H11 |
A2B3C10D11 |
-33.33 |
6.49 |
-9.68 |
-1.23 |
0 |
|
|
121677 |
50776557 |
1 |
O4N6C19H20 |
A4B6C19D20 |
-25.73 |
6.79 |
-9.72 |
-1.29 |
0 |
|
|
121678 |
50776667 |
1 |
ClOSN2H27C28 |
ABCD2E27F28 |
14.12 |
3.48 |
-8.94 |
-1.41 |
0 |
|
|
121679 |
50776687 |
1 |
SO2N3C25H25 |
AB2C3D25E25 |
-0.12 |
2.57 |
-8.62 |
-1.29 |
0 |
|
|
121680 |
50776688 |
1 |
ClN2O3H19C20 |
AB2C3D19E20 |
-94.28 |
5.05 |
-9.1 |
-1.12 |
0 |
|
|
121681 |
50776770 |
1 |
OSN2C25H26 |
ABC2D25E26 |
9.35 |
2.83 |
-8.8 |
-1.18 |
0 |
|
|
121682 |
50776798 |
1 |
SN2O3C24H24 |
AB2C3D24E24 |
-53.55 |
2.43 |
-8.46 |
-1.17 |
0 |
|
|
121683 |
50776866 |
1 |
SO3N4C27H34 |
AB3C4D27E34 |
-95.64 |
4.0 |
-8.93 |
-0.82 |
0 |
|
|
121684 |
50776919 |
1 |
ClON6C19H19 |
ABC6D19E19 |
77.05 |
10.71 |
-9.32 |
-1.12 |
0 |
|
|
121685 |
50776920 |
1 |
ClO4N5H14C17 |
AB4C5D14E17 |
-37.35 |
11.32 |
-9.37 |
-1.4 |
0 |
|
|
121686 |
50777420 |
1 |
FSO3N6C21H21 |
ABC3D6E21F21 |
-49.1 |
2.64 |
-8.8 |
-1.84 |
0 |
|
|
121687 |
50777462 |
1 |
N2S2O4C17H20 |
A2B2C4D17E20 |
-106.63 |
5.59 |
-9.52 |
-1.31 |
0 |
|
|
121688 |
50777463 |
1 |
N2S2O5C15H18 |
A2B2C5D15E18 |
-131.07 |
2.97 |
-9.37 |
-1.35 |
0 |
|
|
121689 |
50777524 |
1 |
FS2N3O3C21H26 |
AB2C3D3E21F26 |
-111.62 |
7.45 |
-9.09 |
-1.14 |
0 |
|
|
121690 |
50777532 |
1 |
N2S2O3C15H22 |
A2B2C3D15E22 |
-103.76 |
1.85 |
-9.38 |
-1.07 |
0 |
|
|
121691 |
50777542 |
2 |
NSO2C7H10 |
ABC2D7E10 |
-138.74 |
3.84 |
-9.38 |
-1.24 |
0 |
|
|
121692 |
50777654 |
1 |
FS2N3O3C21H26 |
AB2C3D3E21F26 |
-114.71 |
8.25 |
-8.65 |
-1.2 |
0 |
|
|
121693 |
50777963 |
1 |
ClSO2N4H15C20 |
ABC2D4E15F20 |
22.19 |
5.31 |
-9.58 |
-1.74 |
0 |
|
|
121694 |
50777964 |
1 |
ClFSO2N4H12C19 |
ABCD2E4F12G19 |
-13.6 |
3.46 |
-9.44 |
-1.63 |
0 |
|
|
121695 |
50777965 |
1 |
O3N5C26H29 |
A3B5C26D29 |
-29.36 |
4.24 |
-8.43 |
-0.57 |
0 |
|
|
121696 |
50777966 |
1 |
O3N5C25H27 |
A3B5C25D27 |
-20.58 |
4.46 |
-8.51 |
-0.59 |
0 |
|
|
121697 |
50777977 |
1 |
SN4O4H20C22 |
AB4C4D20E22 |
-46.53 |
6.08 |
-8.71 |
-1.38 |
0 |
|
|
121698 |
50778003 |
1 |
ClSO3N4H19C22 |
ABC3D4E19F22 |
-21.43 |
5.93 |
-9.44 |
-1.38 |
0 |
|
|
121699 |
50778004 |
1 |
ClSO3N4H17C21 |
ABC3D4E17F21 |
-17.5 |
5.98 |
-9.2 |
-1.53 |
0 |
|
|
121700 |
50778129 |
1 |
SO3N4H22C27 |
AB3C4D22E27 |
21.54 |
7.48 |
-9.19 |
-1.41 |
0 |
|
|
121701 |
50778130 |
1 |
ClSO2N4H21C23 |
ABC2D4E21F23 |
10.53 |
7.64 |
-9.31 |
-1.56 |
0 |
|
|
121702 |
50778194 |
1 |
N4O4H18C19 |
A4B4C18D19 |
-45.88 |
6.34 |
-8.86 |
-1.23 |
0 |
|
|
121703 |
50778195 |
1 |
FO2N4C19H19 |
AB2C4D19E19 |
-37.26 |
3.2 |
-8.89 |
-1.04 |
0 |
|
|
121704 |
50778227 |
1 |
O2N5C27H27 |
A2B5C27D27 |
57.06 |
4.96 |
-8.81 |
-0.6 |
0 |
|
|
121705 |
50778269 |
1 |
SO4N5H15C16 |
AB4C5D15E16 |
-50.76 |
5.99 |
-9.19 |
-0.97 |
0 |
|
|
121706 |
50778393 |
2 |
ON2C11H12 |
AB2C11D12 |
4.29 |
5.96 |
-8.72 |
-0.52 |
0 |
|
|
121707 |
50778428 |
1 |
O2N5C19H19 |
A2B5C19D19 |
27.93 |
6.31 |
-8.81 |
-0.68 |
0 |
|
|
121708 |
50778441 |
1 |
O2N4C21H22 |
A2B4C21D22 |
24.11 |
4.55 |
-8.86 |
-0.6 |
0 |
|
|
121709 |
50778442 |
2 |
ON2C10H11 |
AB2C10D11 |
-4.25 |
4.6 |
-8.77 |
-0.57 |
0 |
|
|
121710 |
50778488 |
1 |
ClOSN5H20C26 |
ABCD5E20F26 |
103.31 |
4.29 |
-9.26 |
-1.39 |
0 |
|
|
121711 |
50778526 |
1 |
ClO2N6C19H19 |
AB2C6D19E19 |
36.81 |
11.8 |
-9.06 |
-1.09 |
0 |
|
|
121712 |
50778527 |
1 |
ON6C18H24 |
AB6C18D24 |
36.69 |
10.7 |
-9.13 |
-1.01 |
0 |
|
|
121713 |
50778528 |
1 |
OSN5H21C22 |
ABC5D21E22 |
73.53 |
3.08 |
-9.12 |
-1.33 |
0 |
|
|
121714 |
50778579 |
1 |
O3N4H26C27 |
A3B4C26D27 |
-1.52 |
3.19 |
-8.44 |
-0.84 |
0 |
|
|
121715 |
50778580 |
1 |
OF2N4H16C23 |
AB2C4D16E23 |
-7.13 |
7.35 |
-9.0 |
-1.23 |
0 |
|
|
121716 |
50778592 |
1 |
ON5C24H27 |
AB5C24D27 |
50.31 |
2.5 |
-8.72 |
-1.03 |
0 |
|
|
121717 |
50778817 |
1 |
SN3O4H17C23 |
AB3C4D17E23 |
-25.52 |
8.9 |
-9.26 |
-1.48 |
0 |
|
|
121718 |
50778995 |
1 |
N3O4H19C20 |
A3B4C19D20 |
-44.52 |
5.6 |
-9.33 |
-1.05 |
0 |
|
|
121719 |
50779041 |
3 |
NOC7H7 |
ABC7D7 |
-23.6 |
5.0 |
-9.35 |
-1.01 |
0 |
|
|
121720 |
50779090 |
1 |
BrO2N3H18C20 |
AB2C3D18E20 |
27.46 |
6.9 |
-8.88 |
-1.08 |
0 |
|
|
121721 |
50779091 |
1 |
SN4O4C24H28 |
AB4C4D24E28 |
-74.88 |
4.52 |
-9.48 |
-0.95 |
0 |
|
|
121722 |
50779092 |
1 |
O2N4H16C17 |
A2B4C16D17 |
34.73 |
5.89 |
-9.74 |
-1.41 |
0 |
|
|
121723 |
50779093 |
1 |
N3O4H17C19 |
A3B4C17D19 |
-43.61 |
5.57 |
-9.28 |
-1.32 |
0 |
|
|
121724 |
50779095 |
1 |
SO2N4C18H18 |
AB2C4D18E18 |
24.08 |
5.36 |
-9.4 |
-1.38 |
0 |
|
|
121725 |
50779107 |
1 |
ClFO2N3H11C16 |
ABC2D3E11F16 |
-26.11 |
5.63 |
-9.14 |
-1.12 |
0 |
|
|
121726 |
50779110 |
1 |
O2N3C22H23 |
A2B3C22D23 |
18.61 |
1.58 |
-9.03 |
-0.96 |
0 |
|
|
121727 |
50779145 |
1 |
N3O5C22H23 |
A3B5C22D23 |
-92.83 |
5.82 |
-9.09 |
-0.9 |
0 |
|
|
121728 |
50779175 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-20.37 |
4.72 |
-9.35 |
-1.22 |
0 |
|
|
121729 |
50779176 |
1 |
N3O4C20H21 |
A3B4C20D21 |
-55.32 |
7.59 |
-8.81 |
-1.01 |
0 |
|
|
121730 |
50779234 |
1 |
FO2N4H21C27 |
AB2C4D21E27 |
11.91 |
4.2 |
-8.44 |
-1.09 |
0 |
|
|
121731 |
50779235 |
1 |
FON4H21C27 |
ABC4D21E27 |
48.36 |
2.12 |
-8.97 |
-1.01 |
0 |
|
|
121732 |
50779236 |
1 |
FON4H21C23 |
ABC4D21E23 |
7.45 |
4.72 |
-8.95 |
-0.98 |
0 |
|
|
121733 |
50779327 |
1 |
ClFO2N3C22H25 |
ABC2D3E22F25 |
-97.15 |
2.23 |
-9.19 |
-0.81 |
0 |
|
|
121734 |
50779480 |
1 |
ClFO3N4C21H30 |
ABC3D4E21F30 |
-161.92 |
3.01 |
-9.0 |
-0.76 |
0 |
|
|
121735 |
50779571 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-117.56 |
6.35 |
-8.95 |
-0.27 |
0 |
|
|
121736 |
50779572 |
1 |
ClFO3N4C21H28 |
ABC3D4E21F28 |
-171.93 |
4.71 |
-9.32 |
-1.0 |
0 |
|
|
121737 |
50779573 |
1 |
ClO2N3C21H30 |
AB2C3D21E30 |
-92.28 |
2.23 |
-9.29 |
-0.77 |
0 |
|
|
121738 |
50779574 |
1 |
BrO2N3C21H30 |
AB2C3D21E30 |
-79.76 |
3.48 |
-9.33 |
-0.53 |
0 |
|
|
121739 |
50779621 |
2 |
N2O2C12H19 |
A2B2C12D19 |
-161.9 |
5.33 |
-8.49 |
0.05 |
0 |
|
|
121740 |
50779698 |
1 |
BrO2N3C18H26 |
AB2C3D18E26 |
-71.64 |
5.91 |
-9.25 |
-0.68 |
0 |
|
|
121741 |
50779731 |
1 |
O3N4C20H30 |
A3B4C20D30 |
-132.06 |
6.11 |
-9.07 |
-0.55 |
0 |
|
|
121742 |
50779782 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-87.05 |
3.74 |
-9.29 |
-0.01 |
0 |
|
|
121743 |
50779821 |
1 |
BrFO2N3C21H23 |
ABC2D3E21F23 |
-81.64 |
1.88 |
-9.27 |
-0.67 |
0 |
|
|
121744 |
50779870 |
1 |
BrFO2N3H19C20 |
ABC2D3E19F20 |
-67.88 |
6.13 |
-9.02 |
-1.26 |
0 |
|
|
121745 |
50779938 |
1 |
O3N4C25H26 |
A3B4C25D26 |
-53.08 |
3.86 |
-8.45 |
-0.55 |
0 |
|
|
121746 |
50779983 |
1 |
ClO2N3H18C19 |
AB2C3D18E19 |
-26.77 |
3.72 |
-8.71 |
-1.21 |
0 |
|
|
121747 |
50780045 |
2 |
ON2C9H10 |
AB2C9D10 |
-36.9 |
3.64 |
-8.42 |
-0.51 |
0 |
|
|
121748 |
50780046 |
2 |
ON2C12H14 |
AB2C12D14 |
-18.11 |
5.57 |
-8.59 |
-1.05 |
0 |
|
|
121749 |
50780047 |
1 |
N3O4H17C19 |
A3B4C17D19 |
-71.19 |
5.66 |
-8.38 |
-1.37 |
0 |
|
|
121750 |
50780048 |
1 |
O2N3C19H19 |
A2B3C19D19 |
-16.71 |
4.76 |
-8.47 |
-1.3 |
0 |
|
|
121751 |
50780112 |
1 |
N3O4C20H21 |
A3B4C20D21 |
-86.3 |
4.3 |
-8.54 |
-1.13 |
0 |
|
|
121752 |
50780259 |
1 |
O2N5C24H29 |
A2B5C24D29 |
2.19 |
4.3 |
-8.4 |
-0.44 |
0 |
|
|
121753 |
50780288 |
1 |
O4N5C24H27 |
A4B5C24D27 |
-22.01 |
2.13 |
-8.44 |
-0.52 |
0 |
|
|
121754 |
50780289 |
1 |
O2N5C25H29 |
A2B5C25D29 |
22.46 |
2.33 |
-8.52 |
-0.51 |
0 |
|
|
121755 |
50780437 |
1 |
ClFO2N5H19C20 |
ABC2D5E19F20 |
-24.62 |
6.03 |
-8.57 |
-0.58 |
0 |
|
|
121756 |
50780442 |
1 |
O2N5C23H25 |
A2B5C23D25 |
47.26 |
1.5 |
-8.41 |
-0.52 |
0 |
|
|
121757 |
50780443 |
1 |
ClO2N5C24H26 |
AB2C5D24E26 |
23.24 |
4.36 |
-8.53 |
-0.55 |
0 |
|
|
121758 |
50780444 |
1 |
BrO2N5C23H24 |
AB2C5D23E24 |
39.94 |
2.58 |
-8.67 |
-0.63 |
0 |
|
|
121759 |
50780450 |
1 |
O3N5C22H25 |
A3B5C22D25 |
-11.64 |
2.28 |
-8.2 |
-0.7 |
0 |
|
|
121760 |
50780514 |
1 |
O2N5H23C24 |
A2B5C23D24 |
67.73 |
6.23 |
-8.68 |
-1.32 |
0 |
|
|
121761 |
50780515 |
1 |
ON7C24H37 |
AB7C24D37 |
-0.09 |
5.28 |
-8.7 |
-0.44 |
0 |