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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
68651 |
46508838 |
1 |
Cl2O2N5C22H23 |
A2B2C5D22E23 |
13.21 |
2.88 |
-9.24 |
-0.69 |
0 |
|
|
68652 |
46508840 |
1 |
O3N6C23H26 |
A3B6C23D26 |
-8.46 |
5.77 |
-9.27 |
-0.6 |
0 |
|
|
68653 |
46508841 |
1 |
O3N6C23H26 |
A3B6C23D26 |
-15.94 |
5.01 |
-8.91 |
-0.67 |
0 |
|
|
68654 |
46508842 |
3 |
ON2C6H8 |
AB2C6D8 |
-47.87 |
4.73 |
-8.65 |
-0.54 |
0 |
|
|
68655 |
46508844 |
1 |
N3O5C24H27 |
A3B5C24D27 |
-95.25 |
4.27 |
-8.67 |
-1.31 |
0 |
|
|
68656 |
46508845 |
1 |
F3N3O4C21H26 |
A3B3C4D21E26 |
-317.68 |
1.79 |
-8.5 |
-0.08 |
0 |
|
|
68657 |
46508846 |
1 |
O4N5C19H33 |
A4B5C19D33 |
-195.28 |
4.14 |
-8.89 |
0.02 |
0 |
|
|
68658 |
46508847 |
1 |
O4N5C21H31 |
A4B5C21D31 |
-173.77 |
7.7 |
-8.78 |
-0.52 |
0 |
|
|
68659 |
46508852 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-31.54 |
4.43 |
-8.92 |
-0.52 |
0 |
|
|
68660 |
46508854 |
2 |
N2O2C12H17 |
A2B2C12D17 |
-127.6 |
4.85 |
-8.78 |
-0.02 |
0 |
|
|
68661 |
46508855 |
1 |
N3O4C21H29 |
A3B4C21D29 |
-163.25 |
4.62 |
-8.43 |
0.28 |
0 |
|
|
68662 |
46508859 |
1 |
O4N5C21H23 |
A4B5C21D23 |
35.27 |
3.7 |
-8.9 |
-1.41 |
0 |
|
|
68663 |
46508861 |
2 |
O2N3C10H16 |
A2B3C10D16 |
-182.69 |
10.69 |
-9.28 |
-0.47 |
0 |
|
|
68664 |
46508862 |
1 |
O3N6C23H32 |
A3B6C23D32 |
-62.44 |
4.59 |
-9.2 |
-0.46 |
0 |
|
|
68665 |
46508863 |
1 |
O3N4C25H26 |
A3B4C25D26 |
-5.59 |
7.17 |
-9.02 |
-0.97 |
0 |
|
|
68666 |
46508865 |
1 |
O3N6C22H30 |
A3B6C22D30 |
-53.89 |
5.96 |
-9.01 |
-0.52 |
0 |
|
|
68667 |
46508866 |
1 |
BrO2N5C23H26 |
AB2C5D23E26 |
24.2 |
4.1 |
-8.95 |
-0.64 |
0 |
|
|
68668 |
46508867 |
1 |
SO2N3H21C22 |
AB2C3D21E22 |
11.4 |
2.58 |
-8.09 |
-0.85 |
0 |
|
|
68669 |
46508871 |
1 |
Cl2O4N5C21H29 |
A2B4C5D21E29 |
-175.3 |
8.51 |
-9.1 |
-0.42 |
0 |
|
|
68670 |
46508872 |
1 |
ClN4O5C23H29 |
AB4C5D23E29 |
-195.98 |
4.17 |
-9.19 |
-1.1 |
0 |
|
|
68671 |
46508874 |
1 |
O3N6C20H28 |
A3B6C20D28 |
-54.6 |
2.1 |
-9.25 |
-0.61 |
0 |
|
|
68672 |
46508876 |
1 |
ClFO4N5C19H25 |
ABC4D5E19F25 |
-203.66 |
5.0 |
-9.2 |
-0.65 |
0 |
|
|
68673 |
46508877 |
1 |
O4N5C22H33 |
A4B5C22D33 |
-157.47 |
5.34 |
-8.72 |
-0.13 |
0 |
|
|
68674 |
46508878 |
1 |
N3O4C27H29 |
A3B4C27D29 |
-97.97 |
7.89 |
-7.82 |
-0.8 |
0 |
|
|
68675 |
46508879 |
1 |
N2S2O6C23H26 |
A2B2C6D23E26 |
-177.56 |
7.89 |
-9.18 |
-1.0 |
0 |
|
|
68676 |
46508880 |
1 |
SN2O4H20C23 |
AB2C4D20E23 |
-72.76 |
5.22 |
-9.23 |
-0.98 |
0 |
|
|
68677 |
46508881 |
1 |
SN4O4H20C21 |
AB4C4D20E21 |
-47.85 |
6.51 |
-9.76 |
-1.28 |
0 |
|
|
68678 |
46508882 |
1 |
O3N4C25H26 |
A3B4C25D26 |
-27.74 |
7.5 |
-8.2 |
-1.1 |
0 |
|
|
68679 |
46508883 |
1 |
N3O4C26H27 |
A3B4C26D27 |
-86.28 |
2.33 |
-7.94 |
-0.64 |
0 |
|
|
68680 |
46508885 |
1 |
N2O6H22C23 |
A2B6C22D23 |
-198.29 |
6.85 |
-9.26 |
-1.08 |
0 |
|
|
68681 |
46508886 |
1 |
NSO5C19H19 |
ABC5D19E19 |
-120.85 |
1.2 |
-8.39 |
-0.91 |
0 |
|
|
68682 |
46508889 |
1 |
SF3N3O5H16C19 |
AB3C3D5E16F19 |
-243.33 |
4.77 |
-10.11 |
-1.36 |
0 |
|
|
68683 |
46508890 |
1 |
SN2O5C20H20 |
AB2C5D20E20 |
-129.45 |
3.23 |
-9.16 |
-1.08 |
0 |
|
|
68684 |
46508891 |
1 |
SN3O3C25H27 |
AB3C3D25E27 |
-53.08 |
4.34 |
-8.14 |
-1.19 |
0 |
|
|
68685 |
46508892 |
1 |
N3O4C27H27 |
A3B4C27D27 |
-68.6 |
2.17 |
-7.92 |
-1.66 |
0 |
|
|
68686 |
46508895 |
1 |
BrN4O4H21C23 |
AB4C4D21E23 |
-27.47 |
8.81 |
-9.23 |
-1.3 |
0 |
|
|
68687 |
46508901 |
1 |
SN2O5C21H22 |
AB2C5D21E22 |
-137.19 |
4.35 |
-9.16 |
-1.26 |
0 |
|
|
68688 |
46508902 |
1 |
NSF2O7H19C20 |
ABC2D7E19F20 |
-310.57 |
10.71 |
-9.47 |
-1.26 |
0 |
|
|
68689 |
46508903 |
1 |
N3O3C28H35 |
A3B3C28D35 |
-85.65 |
4.8 |
-7.89 |
0.01 |
0 |
|
|
68690 |
46508904 |
1 |
ClOS2N4H17C19 |
ABC2D4E17F19 |
75.37 |
5.16 |
-8.85 |
-0.98 |
0 |
|
|
68691 |
46508905 |
1 |
N2S2O3H20C22 |
A2B2C3D20E22 |
-26.28 |
2.79 |
-8.94 |
-0.78 |
0 |
|
|
68692 |
46508906 |
1 |
N3O4C26H27 |
A3B4C26D27 |
-87.42 |
3.1 |
-7.91 |
-1.16 |
0 |
|
|
68693 |
46508908 |
2 |
NSO3C11H11 |
ABC3D11E11 |
-139.79 |
5.1 |
-9.21 |
-1.35 |
0 |
|
|
68694 |
46508910 |
1 |
BrN3O4C18H18 |
AB3C4D18E18 |
-56.75 |
2.7 |
-8.53 |
-1.26 |
0 |
|
|
68695 |
46508911 |
1 |
N3O4C26H27 |
A3B4C26D27 |
-87.21 |
6.7 |
-8.03 |
-1.05 |
0 |
|
|
68696 |
46508913 |
1 |
O3N4C28H28 |
A3B4C28D28 |
-22.19 |
3.13 |
-8.38 |
-0.77 |
0 |
|
|
68697 |
46508914 |
1 |
N2O3H16C20 |
A2B3C16D20 |
-30.52 |
1.71 |
-8.87 |
-0.7 |
0 |
|
|
68698 |
46508916 |
2 |
NO3C13H14 |
AB3C13D14 |
-166.59 |
4.82 |
-9.17 |
-0.53 |
0 |
|
|
68699 |
46508921 |
1 |
ClNSO4H16C19 |
ABCD4E16F19 |
-98.05 |
1.56 |
-9.12 |
-0.89 |
0 |
|
|
68700 |
46508923 |
1 |
SF2N2O2H16C23 |
AB2C2D2E16F23 |
-49.93 |
2.12 |
-8.71 |
-1.23 |
0 |
|
|
68701 |
46508925 |
1 |
FNSO7C21H22 |
ABCD7E21F22 |
-280.44 |
8.56 |
-9.35 |
-1.09 |
0 |
|
|
68702 |
46508930 |
1 |
NSO6C19H19 |
ABC6D19E19 |
-152.84 |
5.97 |
-8.8 |
-0.73 |
0 |
|
|
68703 |
46508935 |
1 |
BrNSO4C16H16 |
ABCD4E16F16 |
-115.29 |
3.04 |
-9.75 |
-1.11 |
0 |
|
|
68704 |
46508936 |
1 |
NSF3O4H16C17 |
ABC3D4E16F17 |
-279.53 |
3.14 |
-10.12 |
-1.2 |
0 |
|
|
68705 |
46508938 |
1 |
N2S2O5C20H22 |
A2B2C5D20E22 |
-130.84 |
4.94 |
-9.18 |
-1.14 |
0 |
|
|
68706 |
46508939 |
1 |
FNSO6H20C23 |
ABCD6E20F23 |
-197.7 |
10.42 |
-8.69 |
-1.21 |
0 |
|
|
68707 |
46508940 |
1 |
NO4C23H23 |
AB4C23D23 |
-112.47 |
3.13 |
-9.05 |
-0.53 |
0 |
|
|
68708 |
46508942 |
1 |
OSN3H21C22 |
ABC3D21E22 |
53.31 |
2.2 |
-8.46 |
-0.54 |
0 |
|
|
68709 |
46508951 |
1 |
N2S2O7C22H24 |
A2B2C7D22E24 |
-205.29 |
5.16 |
-8.93 |
-0.63 |
0 |
|
|
68710 |
46508956 |
1 |
ClN3O4C27H28 |
AB3C4D27E28 |
-90.54 |
4.8 |
-8.15 |
-1.07 |
0 |
|
|
68711 |
46508957 |
1 |
N2S2O7C22H22 |
A2B2C7D22E22 |
-196.22 |
5.06 |
-9.09 |
-0.91 |
0 |
|
|
68712 |
46508959 |
1 |
N2S3O4H16C17 |
A2B3C4D16E17 |
-72.5 |
5.56 |
-9.35 |
-1.15 |
0 |
|
|
68713 |
46508965 |
1 |
O2S2N4C23H24 |
A2B2C4D23E24 |
-12.65 |
1.78 |
-8.75 |
-0.54 |
0 |
|
|
68714 |
46508967 |
1 |
S2O3N4C22H24 |
A2B3C4D22E24 |
-56.96 |
4.23 |
-8.71 |
-1.18 |
0 |
|
|
68715 |
46508968 |
1 |
SO4N5H17C18 |
AB4C5D17E18 |
-53.05 |
6.41 |
-8.6 |
-1.33 |
0 |
|
|
68716 |
46508970 |
1 |
OSN4C21H22 |
ABC4D21E22 |
32.86 |
5.08 |
-8.51 |
-0.4 |
0 |
|
|
68717 |
46508971 |
1 |
FSO2N5H20C23 |
ABC2D5E20F23 |
3.35 |
4.43 |
-8.83 |
-1.08 |
0 |
|
|
68718 |
46508973 |
2 |
NO2C13H13 |
AB2C13D13 |
-87.36 |
5.0 |
-9.18 |
-0.66 |
0 |
|
|
68719 |
46508975 |
1 |
N2S2O4C19H20 |
A2B2C4D19E20 |
-97.14 |
4.24 |
-9.14 |
-0.94 |
0 |
|
|
68720 |
46508976 |
1 |
SO2N5H25C26 |
AB2C5D25E26 |
74.6 |
10.16 |
-8.06 |
-0.9 |
0 |
|
|
68721 |
46508977 |
1 |
SO2N5H15C18 |
AB2C5D15E18 |
94.91 |
3.81 |
-9.48 |
-1.48 |
0 |
|
|
68722 |
46508979 |
1 |
SO2N3C25H29 |
AB2C3D25E29 |
-36.42 |
3.34 |
-8.4 |
-0.41 |
0 |
|
|
68723 |
46508983 |
1 |
ClSN3O6H16C23 |
ABC3D6E16F23 |
-67.36 |
5.64 |
-9.18 |
-1.92 |
0 |
|
|
68724 |
46508984 |
1 |
SN2O5C16H20 |
AB2C5D16E20 |
-139.55 |
5.72 |
-10.12 |
-1.36 |
0 |
|
|
68725 |
46508989 |
1 |
NSO5C20H21 |
ABC5D20E21 |
-131.95 |
3.54 |
-8.45 |
-0.81 |
0 |
|
|
68726 |
46508990 |
1 |
SCl2N4H8C9 |
AB2C4D8E9 |
69.13 |
2.51 |
-9.36 |
-1.28 |
0 |
|
|
68727 |
46508991 |
1 |
OS2N5H11C14 |
AB2C5D11E14 |
87.32 |
4.97 |
-9.16 |
-1.16 |
0 |
|
|
68728 |
46508992 |
1 |
F2N3O3H25C26 |
A2B3C3D25E26 |
-130.28 |
3.6 |
-8.01 |
-1.14 |
0 |
|
|
68729 |
46508993 |
1 |
SO2N3C21H21 |
AB2C3D21E21 |
-12.42 |
4.97 |
-8.69 |
-0.46 |
0 |
|
|
68730 |
46508994 |
1 |
SO2N4C25H28 |
AB2C4D25E28 |
-37.66 |
3.21 |
-8.57 |
-0.41 |
0 |
|
|
68731 |
46508995 |
1 |
ClN3O4C26H26 |
AB3C4D26E26 |
-101.01 |
4.88 |
-8.18 |
-0.87 |
0 |
|
|
68732 |
46508996 |
1 |
NO5C22H25 |
AB5C22D25 |
-173.04 |
5.47 |
-8.29 |
-0.14 |
0 |
|
|
68733 |
46508997 |
1 |
NO7C23H25 |
AB7C23D25 |
-243.59 |
5.77 |
-8.68 |
-0.11 |
0 |
|
|
68734 |
46508999 |
1 |
NSF2O4C18H19 |
ABC2D4E18F19 |
-218.59 |
4.2 |
-10.16 |
-1.43 |
0 |
|
|
68735 |
46509000 |
1 |
SO2N3C22H23 |
AB2C3D22E23 |
-20.67 |
5.94 |
-8.57 |
-0.37 |
0 |
|
|
68736 |
46509001 |
1 |
SO2N4C27H28 |
AB2C4D27E28 |
-6.26 |
2.69 |
-8.64 |
-0.61 |
0 |
|
|
68737 |
46509009 |
1 |
NO7C25H29 |
AB7C25D29 |
-262.8 |
5.28 |
-8.21 |
-0.03 |
0 |
|
|
68738 |
46509010 |
1 |
SN2O5C20H20 |
AB2C5D20E20 |
-127.11 |
3.11 |
-9.89 |
-1.4 |
0 |
|
|
68739 |
46509011 |
1 |
ClNSO5C19H20 |
ABCD5E19F20 |
-168.89 |
6.4 |
-9.7 |
-1.27 |
0 |
|
|
68740 |
46509012 |
1 |
NSO5C19H21 |
ABC5D19E21 |
-159.0 |
5.14 |
-9.78 |
-1.23 |
0 |
|
|
68741 |
46509014 |
1 |
BrNSO5C19H20 |
ABCD5E19F20 |
-156.44 |
6.58 |
-9.7 |
-1.36 |
0 |
|
|
68742 |
46509017 |
1 |
SN2O6C18H22 |
AB2C6D18E22 |
-180.09 |
6.91 |
-9.91 |
-1.34 |
0 |
|
|
68743 |
46509018 |
1 |
SN3O5H19C21 |
AB3C5D19E21 |
-96.33 |
5.02 |
-9.26 |
-1.52 |
0 |
|
|
68744 |
46509019 |
1 |
SO2N4H22C27 |
AB2C4D22E27 |
25.29 |
1.78 |
-8.68 |
-0.92 |
0 |
|
|
68745 |
46509020 |
1 |
SO2N5H19C20 |
AB2C5D19E20 |
73.04 |
8.34 |
-8.91 |
-0.85 |
0 |
|
|
68746 |
46509022 |
1 |
FNO6H22C23 |
ABC6D22E23 |
-239.57 |
7.78 |
-9.22 |
-1.61 |
0 |
|
|
68747 |
46509023 |
1 |
ClFNSO5C19H19 |
ABCDE5F19G19 |
-216.1 |
5.3 |
-9.96 |
-1.34 |
0 |
|
|
68748 |
46509026 |
1 |
FNO6H18C21 |
ABC6D18E21 |
-236.62 |
5.31 |
-9.48 |
-1.33 |
0 |
|
|
68749 |
46509027 |
1 |
BrSO2N4H21C22 |
ABC2D4E21F22 |
-13.46 |
1.46 |
-8.79 |
-0.86 |
0 |
|
|
68750 |
46509028 |
1 |
NSO5C21H25 |
ABC5D21E25 |
-176.48 |
5.12 |
-9.15 |
-1.18 |
0 |