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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
76952 |
48425617 |
1 |
O2N4C15H26 |
A2B4C15D26 |
-91.94 |
3.82 |
-9.37 |
0.37 |
0 |
|
|
76953 |
48425620 |
2 |
NOC9H14 |
ABC9D14 |
-108.15 |
3.13 |
-9.17 |
0.37 |
0 |
|
|
76954 |
48425622 |
1 |
BrN2O3C15H21 |
AB2C3D15E21 |
-119.94 |
6.09 |
-8.96 |
-0.1 |
0 |
|
|
76955 |
48425623 |
1 |
F3N3O3C14H18 |
A3B3C3D14E18 |
-264.97 |
6.11 |
-9.75 |
-0.72 |
0 |
|
|
76956 |
48425624 |
1 |
O2N6C15H20 |
A2B6C15D20 |
2.71 |
8.61 |
-9.79 |
-1.13 |
0 |
|
|
76957 |
48425625 |
1 |
BrSN2O2C11H15 |
ABC2D2E11F15 |
-59.12 |
3.43 |
-9.55 |
-0.81 |
0 |
|
|
76958 |
48425630 |
1 |
SN2O2C10H20 |
AB2C2D10E20 |
-111.61 |
4.1 |
-8.69 |
0.29 |
0 |
|
|
76959 |
48425631 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-102.07 |
1.29 |
-9.24 |
-0.37 |
0 |
|
|
76960 |
48425633 |
1 |
F3N3O3C19H24 |
A3B3C3D19E24 |
-288.22 |
3.7 |
-9.76 |
-0.59 |
0 |
|
|
76961 |
48425634 |
1 |
F2N2O2C15H20 |
A2B2C2D15E20 |
-182.79 |
1.26 |
-9.61 |
-0.42 |
0 |
|
|
76962 |
48425635 |
1 |
Cl2N2O2C15H20 |
A2B2C2D15E20 |
-104.28 |
3.36 |
-9.53 |
-0.4 |
0 |
|
|
76963 |
48425636 |
1 |
FN3O3C20H28 |
AB3C3D20E28 |
-182.31 |
5.91 |
-9.33 |
0.1 |
0 |
|
|
76964 |
48425637 |
1 |
BrN2O3C16H23 |
AB2C3D16E23 |
-123.59 |
4.66 |
-9.0 |
-0.11 |
0 |
|
|
76965 |
48425638 |
3 |
NOC5H9 |
ABC5D9 |
-161.02 |
4.48 |
-9.38 |
0.66 |
0 |
|
|
76966 |
48425639 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-118.39 |
2.71 |
-8.45 |
-0.36 |
0 |
|
|
76967 |
48425640 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-109.13 |
3.4 |
-8.86 |
-0.38 |
0 |
|
|
76968 |
48425641 |
1 |
SN2O4C12H24 |
AB2C4D12E24 |
-204.64 |
1.66 |
-9.5 |
0.56 |
0 |
|
|
76969 |
48425642 |
1 |
SN2O4C14H26 |
AB2C4D14E26 |
-203.8 |
8.19 |
-9.82 |
0.66 |
0 |
|
|
76970 |
48425643 |
1 |
SN2O2C17H26 |
AB2C2D17E26 |
-97.03 |
4.11 |
-8.88 |
-0.27 |
0 |
|
|
76971 |
48425644 |
1 |
BrSN2O2C11H15 |
ABC2D2E11F15 |
-64.87 |
2.93 |
-9.34 |
-0.9 |
0 |
|
|
76972 |
48425645 |
1 |
F2N2O4C15H20 |
A2B2C4D15E20 |
-259.0 |
5.14 |
-9.32 |
-0.5 |
0 |
|
|
76973 |
48425646 |
1 |
O3N6C17H24 |
A3B6C17D24 |
-49.72 |
3.16 |
-9.24 |
-1.06 |
0 |
|
|
76974 |
48425650 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-79.09 |
4.36 |
-8.6 |
-0.21 |
0 |
|
|
76975 |
48425651 |
1 |
N2O5C19H28 |
A2B5C19D28 |
-205.54 |
6.33 |
-8.67 |
-0.5 |
0 |
|
|
76976 |
48425657 |
2 |
ON3C7H10 |
AB3C7D10 |
-21.44 |
3.74 |
-9.53 |
-1.11 |
0 |
|
|
76977 |
48425658 |
1 |
N2O2C19H22 |
A2B2C19D22 |
-51.55 |
2.87 |
-9.26 |
-0.2 |
0 |
|
|
76978 |
48425659 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-139.31 |
1.97 |
-8.8 |
0.4 |
0 |
|
|
76979 |
48425660 |
1 |
Cl2O2N3C15H17 |
A2B2C3D15E17 |
-74.66 |
5.71 |
-8.93 |
-0.97 |
0 |
|
|
76980 |
48425661 |
1 |
SO2N3C19H25 |
AB2C3D19E25 |
-67.4 |
3.75 |
-8.68 |
-0.43 |
0 |
|
|
76981 |
48425662 |
1 |
SN4O4C14H22 |
AB4C4D14E22 |
-132.78 |
6.41 |
-8.98 |
-0.24 |
0 |
|
|
76982 |
48425663 |
3 |
NOC6H7 |
ABC6D7 |
-74.35 |
2.04 |
-9.4 |
-0.77 |
0 |
|
|
76983 |
48425665 |
1 |
O3N4C16H24 |
A3B4C16D24 |
-103.09 |
4.28 |
-8.69 |
-0.36 |
0 |
|
|
76984 |
48425666 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-56.99 |
4.85 |
-8.74 |
-0.51 |
0 |
|
|
76985 |
48425667 |
1 |
SO2N6C12H20 |
AB2C6D12E20 |
-5.23 |
6.26 |
-9.45 |
-0.86 |
0 |
|
|
76986 |
48425668 |
1 |
O2F3N3C13H16 |
A2B3C3D13E16 |
-223.03 |
6.15 |
-9.8 |
-1.49 |
0 |
|
|
76987 |
48425670 |
1 |
N3O4C23H33 |
A3B4C23D33 |
-176.74 |
3.94 |
-9.19 |
-0.22 |
0 |
|
|
76988 |
48425671 |
1 |
O3N5C16H21 |
A3B5C16D21 |
-48.1 |
7.59 |
-9.85 |
-1.01 |
0 |
|
|
76989 |
48425672 |
1 |
SO2N3C13H19 |
AB2C3D13E19 |
-65.64 |
6.41 |
-8.84 |
-0.22 |
0 |
|
|
76990 |
48425673 |
1 |
FSO2N3C18H22 |
ABC2D3E18F22 |
-106.25 |
5.33 |
-8.98 |
-0.66 |
0 |
|
|
76991 |
48425675 |
1 |
BrSO2N3C17H20 |
ABC2D3E17F20 |
-42.27 |
4.29 |
-9.38 |
-1.08 |
0 |
|
|
76992 |
48425677 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-12.18 |
4.78 |
-9.04 |
-0.44 |
0 |
|
|
76993 |
48425679 |
1 |
SO3N4C17H22 |
AB3C4D17E22 |
-56.45 |
3.42 |
-9.11 |
-0.93 |
0 |
|
|
76994 |
48425681 |
1 |
SN2O4C20H30 |
AB2C4D20E30 |
-183.61 |
8.93 |
-9.37 |
-0.09 |
0 |
|
|
76995 |
48425682 |
1 |
O3N4C14H18 |
A3B4C14D18 |
-53.74 |
7.27 |
-9.8 |
-1.12 |
0 |
|
|
76996 |
48425684 |
1 |
SN3O4C18H27 |
AB3C4D18E27 |
-166.37 |
5.16 |
-9.7 |
-0.87 |
0 |
|
|
76997 |
48425687 |
1 |
BrFN2O3C15H20 |
ABC2D3E15F20 |
-170.82 |
3.07 |
-8.94 |
-0.53 |
0 |
|
|
76998 |
48425688 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-169.09 |
2.55 |
-9.34 |
-0.22 |
0 |
|
|
76999 |
48425689 |
1 |
SO2N3C14H21 |
AB2C3D14E21 |
-69.31 |
4.32 |
-8.79 |
-0.33 |
0 |
|
|
77000 |
48425690 |
1 |
SO2N3C19H23 |
AB2C3D19E23 |
-40.64 |
5.02 |
-9.03 |
-0.8 |
0 |
|
|
77001 |
48425691 |
1 |
ClIN2O2C13H16 |
ABC2D2E13F16 |
-66.74 |
0.86 |
-9.5 |
-1.39 |
0 |
|
|
77002 |
48425692 |
2 |
NO2C8H12 |
AB2C8D12 |
-156.14 |
1.32 |
-8.91 |
0.22 |
0 |
|
|
77003 |
48425693 |
1 |
SN3O3C15H19 |
AB3C3D15E19 |
-82.75 |
1.27 |
-9.2 |
-0.97 |
0 |
|
|
77004 |
48425696 |
2 |
NOC8H12 |
ABC8D12 |
-94.74 |
1.29 |
-9.39 |
0.34 |
0 |
|
|
77005 |
48425698 |
1 |
ClN2O3C15H21 |
AB2C3D15E21 |
-132.92 |
3.13 |
-8.94 |
-0.06 |
0 |
|
|
77006 |
48425700 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-49.69 |
5.86 |
-9.83 |
-1.23 |
0 |
|
|
77007 |
48425701 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-63.91 |
8.23 |
-9.86 |
-1.11 |
0 |
|
|
77008 |
48425702 |
1 |
O2F3N4C18H25 |
A2B3C4D18E25 |
-232.96 |
2.06 |
-9.24 |
-0.8 |
0 |
|
|
77009 |
48425703 |
1 |
BrN2O2C16H23 |
AB2C2D16E23 |
-89.63 |
3.09 |
-9.46 |
-0.2 |
0 |
|
|
77010 |
48425704 |
1 |
SN2O2C17H26 |
AB2C2D17E26 |
-92.21 |
3.78 |
-8.83 |
0.21 |
0 |
|
|
77011 |
48425705 |
1 |
N2F3O3C11H19 |
A2B3C3D11E19 |
-309.73 |
4.73 |
-9.76 |
0.46 |
0 |
|
|
77012 |
48425706 |
1 |
N2O4C17H26 |
A2B4C17D26 |
-170.43 |
3.55 |
-8.63 |
0.19 |
0 |
|
|
77013 |
48425707 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-65.03 |
5.38 |
-9.54 |
-0.28 |
0 |
|
|
77014 |
48425708 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-36.17 |
3.3 |
-8.97 |
-0.78 |
0 |
|
|
77015 |
48425709 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-123.69 |
4.47 |
-9.63 |
-0.32 |
0 |
|
|
77016 |
48425710 |
2 |
NO2C8H12 |
AB2C8D12 |
-156.71 |
8.12 |
-8.91 |
0.15 |
0 |
|
|
77017 |
48425711 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-50.52 |
7.61 |
-9.87 |
-1.06 |
0 |
|
|
77018 |
48425712 |
1 |
N3O4C17H25 |
A3B4C17D25 |
-173.29 |
2.57 |
-9.61 |
0.01 |
0 |
|
|
77019 |
48425713 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-112.83 |
4.36 |
-8.22 |
-0.05 |
0 |
|
|
77020 |
48425714 |
1 |
BrSN2O2C15H21 |
ABC2D2E15F21 |
-69.81 |
2.86 |
-9.07 |
-0.7 |
0 |
|
|
77021 |
48425715 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-96.76 |
4.79 |
-8.63 |
-0.02 |
0 |
|
|
77022 |
48425716 |
1 |
O2F3N5C16H18 |
A2B3C5D16E18 |
-170.59 |
3.98 |
-9.42 |
-1.39 |
0 |
|
|
77023 |
48425717 |
1 |
O3N4C13H22 |
A3B4C13D22 |
-98.88 |
6.41 |
-9.63 |
-0.44 |
0 |
|
|
77024 |
48425719 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-96.1 |
4.18 |
-8.17 |
-0.17 |
0 |
|
|
77025 |
48425721 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-53.84 |
3.4 |
-8.74 |
-0.22 |
0 |
|
|
77026 |
48425722 |
2 |
NO2C9H12 |
AB2C9D12 |
-142.94 |
4.4 |
-8.42 |
-0.62 |
0 |
|
|
77027 |
48425723 |
1 |
FSN3O3C18H22 |
ABC3D3E18F22 |
-159.99 |
4.79 |
-8.97 |
-0.54 |
0 |
|
|
77028 |
48425724 |
1 |
SO2N3C16H21 |
AB2C3D16E21 |
-52.26 |
6.59 |
-9.11 |
-0.71 |
0 |
|
|
77029 |
48425726 |
2 |
NO2C9H12 |
AB2C9D12 |
-147.06 |
5.04 |
-8.27 |
-0.73 |
0 |
|
|
77030 |
48425727 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-83.28 |
2.46 |
-8.72 |
-0.52 |
0 |
|
|
77031 |
48425728 |
1 |
BrN2O4C16H21 |
AB2C4D16E21 |
-159.02 |
2.28 |
-8.87 |
-0.36 |
0 |
|
|
77032 |
48425730 |
1 |
O2S2N3C14H17 |
A2B2C3D14E17 |
-29.49 |
0.96 |
-9.08 |
-1.14 |
0 |
|
|
77033 |
48425731 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-121.32 |
7.09 |
-8.62 |
0.2 |
0 |
|
|
77034 |
48425732 |
1 |
N2O3C13H20 |
A2B3C13D20 |
-118.84 |
2.67 |
-9.34 |
-0.12 |
0 |
|
|
77035 |
48425734 |
1 |
N3O3C16H29 |
A3B3C16D29 |
-171.09 |
5.13 |
-9.06 |
0.75 |
0 |
|
|
77036 |
48425735 |
1 |
O2N5C11H19 |
A2B5C11D19 |
-52.32 |
4.73 |
-9.76 |
0.01 |
0 |
|
|
77037 |
48425736 |
1 |
FN2O3C15H21 |
AB2C3D15E21 |
-171.44 |
5.89 |
-9.18 |
0.05 |
0 |
|
|
77038 |
48425737 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-76.91 |
2.67 |
-8.49 |
-0.01 |
0 |
|
|
77039 |
48425738 |
1 |
O3N4C15H26 |
A3B4C15D26 |
-110.18 |
3.92 |
-9.74 |
-0.16 |
0 |
|
|
77040 |
48425740 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-131.28 |
6.15 |
-8.82 |
-0.57 |
0 |
|
|
77041 |
48425741 |
1 |
O2S2N3C15H19 |
A2B2C3D15E19 |
-40.65 |
2.45 |
-8.98 |
-1.05 |
0 |
|
|
77042 |
48425742 |
1 |
FN2O3C15H21 |
AB2C3D15E21 |
-171.17 |
3.15 |
-9.3 |
-0.1 |
0 |
|
|
77043 |
48425743 |
1 |
SN2O3C11H22 |
AB2C3D11E22 |
-147.69 |
3.31 |
-8.67 |
0.31 |
0 |
|
|
77044 |
48425744 |
1 |
N3O3C16H27 |
A3B3C16D27 |
-139.73 |
2.06 |
-9.26 |
0.94 |
0 |
|
|
77045 |
48425745 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-137.38 |
4.76 |
-9.16 |
0.44 |
0 |
|
|
77046 |
48425746 |
1 |
N3O4C12H23 |
A3B4C12D23 |
-207.16 |
2.24 |
-9.64 |
0.62 |
0 |
|
|
77047 |
48425747 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-64.87 |
5.02 |
-8.42 |
0.1 |
0 |
|
|
77048 |
48425748 |
1 |
N3O4C11H21 |
A3B4C11D21 |
-198.4 |
4.78 |
-9.83 |
0.45 |
0 |
|
|
77049 |
48425749 |
1 |
SN3O3C10H19 |
AB3C3D10E19 |
-153.8 |
8.23 |
-9.07 |
-0.15 |
0 |
|
|
77050 |
48425751 |
1 |
N2O3C13H26 |
A2B3C13D26 |
-170.01 |
2.86 |
-9.55 |
0.73 |
0 |
|
|
77051 |
48425752 |
1 |
O3N4C17H30 |
A3B4C17D30 |
-160.31 |
4.48 |
-9.34 |
0.79 |
0 |