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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
63951 |
26759548 |
2 |
NO2C10H13 |
AB2C10D13 |
-136.93 |
4.47 |
-8.91 |
0.03 |
0 |
|
|
63952 |
26759552 |
1 |
ClNO4C18H18 |
ABC4D18E18 |
-138.52 |
4.08 |
-9.03 |
-0.34 |
0 |
|
|
63953 |
26759554 |
1 |
NSF2O4C19H19 |
ABC2D4E19F19 |
-235.75 |
4.7 |
-9.13 |
-0.66 |
0 |
|
|
63954 |
26759555 |
1 |
BrSN3O5C18H22 |
ABC3D5E18F22 |
-152.27 |
4.74 |
-9.15 |
-1.02 |
0 |
|
|
63955 |
26759559 |
1 |
SN3O4C22H29 |
AB3C4D22E29 |
-149.75 |
6.54 |
-9.13 |
-0.54 |
0 |
|
|
63956 |
26759563 |
1 |
NO4C20H23 |
AB4C20D23 |
-149.77 |
3.72 |
-8.68 |
-0.15 |
0 |
|
|
63957 |
26759564 |
1 |
N2S2O5C21H28 |
A2B2C5D21E28 |
-192.99 |
9.87 |
-8.67 |
-0.78 |
0 |
|
|
63958 |
26759566 |
1 |
ClS2N3O4C22H24 |
AB2C3D4E22F24 |
-121.54 |
5.9 |
-9.03 |
-1.39 |
0 |
|
|
63959 |
26759567 |
1 |
N2O7C19H20 |
A2B7C19D20 |
-177.23 |
4.08 |
-8.8 |
-1.66 |
0 |
|
|
63960 |
26759568 |
1 |
ClSN2O3C18H21 |
ABC2D3E18F21 |
-98.22 |
5.6 |
-8.98 |
-0.9 |
0 |
|
|
63961 |
26759570 |
1 |
SO3N4C23H28 |
AB3C4D23E28 |
-63.21 |
5.23 |
-9.02 |
-0.94 |
0 |
|
|
63962 |
26759572 |
1 |
SN2O4C22H28 |
AB2C4D22E28 |
-149.91 |
4.25 |
-8.72 |
-0.84 |
0 |
|
|
63963 |
26759573 |
1 |
NO4C20H23 |
AB4C20D23 |
-148.26 |
6.08 |
-8.56 |
-0.08 |
0 |
|
|
63964 |
26759574 |
1 |
SN3O5C23H31 |
AB3C5D23E31 |
-191.13 |
8.61 |
-9.07 |
-0.53 |
0 |
|
|
63965 |
26759576 |
1 |
NO5C20H23 |
AB5C20D23 |
-175.14 |
2.78 |
-8.25 |
0.02 |
0 |
|
|
63966 |
26759579 |
1 |
FNO4C18H18 |
ABC4D18E18 |
-179.65 |
5.97 |
-9.1 |
-0.33 |
0 |
|
|
63967 |
26759580 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-66.58 |
4.54 |
-8.92 |
-1.3 |
0 |
|
|
63968 |
26759582 |
1 |
ClSN3O5C18H20 |
ABC3D5E18F20 |
-100.44 |
2.32 |
-9.2 |
-1.92 |
0 |
|
|
63969 |
26759583 |
1 |
SN2O6C18H20 |
AB2C6D18E20 |
-205.12 |
8.56 |
-9.22 |
-0.62 |
0 |
|
|
63970 |
26759589 |
1 |
NF3O4H18C19 |
AB3C4D18E19 |
-291.13 |
1.1 |
-8.89 |
-0.6 |
0 |
|
|
63971 |
26759590 |
1 |
SN4O5C22H28 |
AB4C5D22E28 |
-104.71 |
7.69 |
-8.9 |
-1.03 |
0 |
|
|
63972 |
26759593 |
1 |
NO4C16H23 |
AB4C16D23 |
-182.41 |
2.39 |
-9.02 |
-0.04 |
0 |
|
|
63973 |
26759594 |
1 |
BrSN2O3C18H21 |
ABC2D3E18F21 |
-91.67 |
2.66 |
-9.06 |
-0.89 |
0 |
|
|
63974 |
26759597 |
1 |
ClNO4C19H20 |
ABC4D19E20 |
-145.18 |
2.28 |
-8.86 |
-0.25 |
0 |
|
|
63975 |
26759598 |
1 |
SN3O5C21H29 |
AB3C5D21E29 |
-211.83 |
3.69 |
-8.83 |
-0.4 |
0 |
|
|
63976 |
26759599 |
1 |
NO4C21H25 |
AB4C21D25 |
-148.02 |
3.41 |
-8.65 |
-0.06 |
0 |
|
|
63977 |
26759600 |
1 |
BrSN2O4C21H25 |
ABC2D4E21F25 |
-134.65 |
4.84 |
-9.11 |
-1.18 |
0 |
|
|
63978 |
26759603 |
1 |
ClSN2O6C20H23 |
ABC2D6E20F23 |
-211.16 |
10.57 |
-9.23 |
-0.86 |
0 |
|
|
63979 |
26759604 |
1 |
SN2O6C21H28 |
AB2C6D21E28 |
-204.69 |
5.87 |
-8.94 |
-0.6 |
0 |
|
|
63980 |
26759609 |
1 |
ClFNO4H17C18 |
ABCD4E17F18 |
-182.86 |
5.79 |
-9.07 |
-0.64 |
0 |
|
|
63981 |
26759612 |
1 |
FSN2O4C21H25 |
ABC2D4E21F25 |
-182.54 |
4.24 |
-9.03 |
-1.14 |
0 |
|
|
63982 |
26759613 |
1 |
NO5C20H23 |
AB5C20D23 |
-178.01 |
4.5 |
-8.32 |
-0.01 |
0 |
|
|
63983 |
26759614 |
1 |
SO3N4C19H22 |
AB3C4D19E22 |
-64.16 |
3.41 |
-9.01 |
-0.95 |
0 |
|
|
63984 |
26759619 |
1 |
NO5C21H25 |
AB5C21D25 |
-180.59 |
5.33 |
-8.92 |
-0.05 |
0 |
|
|
63985 |
26759621 |
1 |
ClN2O4C17H17 |
AB2C4D17E17 |
-127.99 |
2.55 |
-9.07 |
-0.64 |
0 |
|
|
63986 |
26759626 |
1 |
S2N3O6C22H29 |
A2B3C6D22E29 |
-206.34 |
2.94 |
-9.23 |
-1.33 |
0 |
|
|
63987 |
26759629 |
1 |
NF2O4H17C18 |
AB2C4D17E18 |
-223.6 |
5.37 |
-9.09 |
-0.6 |
0 |
|
|
63988 |
26759630 |
1 |
SN3O5C19H23 |
AB3C5D19E23 |
-104.57 |
3.93 |
-9.23 |
-1.63 |
0 |
|
|
63989 |
26759633 |
1 |
ClFSN2O3C18H20 |
ABCD2E3F18G20 |
-144.09 |
5.16 |
-9.1 |
-1.2 |
0 |
|
|
63990 |
26759634 |
1 |
BrFNO4H17C18 |
ABCD4E17F18 |
-170.85 |
6.17 |
-9.09 |
-0.65 |
0 |
|
|
63991 |
26759635 |
1 |
ClNO4C19H20 |
ABC4D19E20 |
-142.67 |
5.27 |
-9.03 |
-0.22 |
0 |
|
|
63992 |
26759637 |
1 |
ClNO4C19H20 |
ABC4D19E20 |
-141.97 |
5.58 |
-9.04 |
-0.25 |
0 |
|
|
63993 |
26759638 |
1 |
S2N3O4C21H25 |
A2B3C4D21E25 |
-138.73 |
0.96 |
-8.85 |
-0.71 |
0 |
|
|
63994 |
26759640 |
1 |
SN3O5C23H27 |
AB3C5D23E27 |
-117.82 |
5.39 |
-8.85 |
-0.95 |
0 |
|
|
63995 |
26759643 |
1 |
NF2O4H17C18 |
AB2C4D17E18 |
-222.47 |
7.09 |
-9.19 |
-0.54 |
0 |
|
|
63996 |
26759644 |
1 |
SN3O5C21H27 |
AB3C5D21E27 |
-179.98 |
9.24 |
-8.79 |
-0.73 |
0 |
|
|
63997 |
26759645 |
1 |
NF2O4H17C18 |
AB2C4D17E18 |
-222.54 |
5.92 |
-9.07 |
-0.45 |
0 |
|
|
63998 |
26759646 |
1 |
NO6C20H23 |
AB6C20D23 |
-203.85 |
3.07 |
-8.08 |
0.01 |
0 |
|
|
63999 |
26759653 |
1 |
ClSN4O4C21H27 |
ABC4D4E21F27 |
-156.82 |
6.99 |
-8.82 |
-0.76 |
0 |
|
|
64000 |
26759658 |
1 |
ClNF3O4H17C19 |
ABC3D4E17F19 |
-300.48 |
4.42 |
-9.1 |
-1.04 |
0 |
|
|
64001 |
26759661 |
1 |
ClN2S2O5C20H25 |
AB2C2D5E20F25 |
-190.2 |
7.1 |
-8.77 |
-1.3 |
0 |
|
|
64002 |
26759664 |
1 |
FNO4C19H20 |
ABC4D19E20 |
-188.57 |
6.71 |
-8.82 |
-0.32 |
0 |
|
|
64003 |
26759665 |
1 |
SN2O4C20H26 |
AB2C4D20E26 |
-143.24 |
3.01 |
-9.0 |
-0.49 |
0 |
|
|
64004 |
26759667 |
1 |
SF3O3N4H21C23 |
AB3C3D4E21F23 |
-197.59 |
9.19 |
-8.85 |
-1.16 |
0 |
|
|
64005 |
26759668 |
1 |
NO4C19H27 |
AB4C19D27 |
-180.49 |
2.28 |
-8.89 |
0.09 |
0 |
|
|
64006 |
26759673 |
1 |
ClNO5C19H20 |
ABC5D19E20 |
-173.76 |
5.98 |
-8.5 |
-0.25 |
0 |
|
|
64007 |
26759678 |
1 |
SCl2N3O5C20H21 |
AB2C3D5E20F21 |
-177.18 |
5.93 |
-9.3 |
-1.0 |
0 |
|
|
64008 |
26759679 |
1 |
SN3O6C24H25 |
AB3C6D24E25 |
-170.03 |
7.29 |
-8.96 |
-0.92 |
0 |
|
|
64009 |
26759680 |
1 |
BrNO4C19H20 |
ABC4D19E20 |
-141.92 |
4.6 |
-8.86 |
-0.32 |
0 |
|
|
64010 |
26759681 |
1 |
SF3N3O5C21H26 |
AB3C3D5E21F26 |
-334.97 |
11.76 |
-9.36 |
-0.95 |
0 |
|
|
64011 |
26759683 |
1 |
ClNO5C20H22 |
ABC5D20E22 |
-188.51 |
5.43 |
-8.52 |
-0.32 |
0 |
|
|
64012 |
26759685 |
1 |
ClNO4C19H20 |
ABC4D19E20 |
-147.83 |
5.28 |
-9.0 |
-0.2 |
0 |
|
|
64013 |
26759687 |
1 |
ClNO4C19H20 |
ABC4D19E20 |
-144.17 |
6.13 |
-8.96 |
-0.29 |
0 |
|
|
64014 |
26759691 |
1 |
NO4C20H23 |
AB4C20D23 |
-145.97 |
4.84 |
-8.91 |
-0.06 |
0 |
|
|
64015 |
26759692 |
1 |
NF2O5C19H19 |
AB2C5D19E19 |
-273.39 |
1.88 |
-8.92 |
-0.5 |
0 |
|
|
64016 |
26759693 |
1 |
SN2O5C22H24 |
AB2C5D22E24 |
-151.17 |
6.97 |
-9.14 |
-0.64 |
0 |
|
|
64017 |
26759695 |
1 |
SN3O4C23H23 |
AB3C4D23E23 |
-73.7 |
8.56 |
-9.04 |
-1.23 |
0 |
|
|
64018 |
26759696 |
1 |
SN2O4C22H24 |
AB2C4D22E24 |
-113.84 |
6.18 |
-8.94 |
-0.79 |
0 |
|
|
64019 |
26759700 |
1 |
NO4C20H23 |
AB4C20D23 |
-143.37 |
1.02 |
-8.93 |
0.04 |
0 |
|
|
64020 |
26759701 |
1 |
ClS2N3O6C19H22 |
AB2C3D6E19F22 |
-196.03 |
4.12 |
-9.31 |
-1.34 |
0 |
|
|
64021 |
26759702 |
1 |
NO5C20H21 |
AB5C20D21 |
-172.55 |
5.4 |
-8.84 |
-0.88 |
0 |
|
|
64022 |
26759704 |
1 |
NO5C20H21 |
AB5C20D21 |
-176.27 |
4.16 |
-8.84 |
-0.81 |
0 |
|
|
64023 |
26759707 |
1 |
SN2O5C17H18 |
AB2C5D17E18 |
-172.75 |
6.23 |
-8.97 |
-0.64 |
0 |
|
|
64024 |
26759708 |
1 |
NO4C21H23 |
AB4C21D23 |
-143.04 |
3.89 |
-8.56 |
-0.04 |
0 |
|
|
64025 |
26759709 |
1 |
BrSN2O5C21H23 |
ABC2D5E21F23 |
-139.86 |
7.35 |
-8.96 |
-1.22 |
0 |
|
|
64026 |
26759710 |
1 |
NO4C21H23 |
AB4C21D23 |
-141.99 |
3.85 |
-8.45 |
-0.03 |
0 |
|
|
64027 |
26759711 |
1 |
SN4O5C23H26 |
AB4C5D23E26 |
-134.67 |
6.56 |
-9.15 |
-1.04 |
0 |
|
|
64028 |
26759712 |
1 |
ClN2O4H17C19 |
AB2C4D17E19 |
-109.18 |
10.5 |
-9.22 |
-0.98 |
0 |
|
|
64029 |
26759713 |
1 |
BrSN2O4C20H21 |
ABC2D4E20F21 |
-104.36 |
6.82 |
-9.1 |
-1.02 |
0 |
|
|
64030 |
26759714 |
1 |
ClN2O4H17C19 |
AB2C4D17E19 |
-108.2 |
10.14 |
-9.23 |
-0.98 |
0 |
|
|
64031 |
26759715 |
2 |
NO2C11H13 |
AB2C11D13 |
-124.1 |
5.92 |
-8.35 |
-0.05 |
0 |
|
|
64032 |
26759719 |
1 |
SN2O6C22H26 |
AB2C6D22E26 |
-203.53 |
8.2 |
-9.23 |
-0.81 |
0 |
|
|
64033 |
26759722 |
1 |
BrSN2O5C20H23 |
ABC2D5E20F23 |
-158.4 |
7.29 |
-9.2 |
-0.79 |
0 |
|
|
64034 |
26759729 |
1 |
SN2O5C23H26 |
AB2C5D23E26 |
-159.26 |
9.27 |
-9.02 |
-0.61 |
0 |
|
|
64035 |
26759732 |
1 |
N2O5C17H24 |
A2B5C17D24 |
-227.84 |
3.78 |
-9.04 |
-0.12 |
0 |
|
|
64036 |
26759734 |
1 |
N2O5C16H22 |
A2B5C16D22 |
-220.5 |
1.97 |
-9.01 |
-0.05 |
0 |
|
|
64037 |
26759736 |
1 |
N2O5C16H22 |
A2B5C16D22 |
-217.6 |
3.1 |
-8.96 |
0.02 |
0 |
|
|
64038 |
26759737 |
1 |
SN2O6H24C25 |
AB2C6D24E25 |
-151.99 |
7.55 |
-9.06 |
-1.03 |
0 |
|
|
64039 |
26759739 |
1 |
ClSN2O6C20H23 |
ABC2D6E20F23 |
-197.15 |
9.02 |
-9.08 |
-0.96 |
0 |
|
|
64040 |
26759740 |
1 |
N2O7C21H22 |
A2B7C21D22 |
-241.56 |
4.19 |
-8.6 |
-0.36 |
0 |
|
|
64041 |
26759742 |
1 |
N2O5C18H24 |
A2B5C18D24 |
-219.61 |
2.89 |
-9.06 |
-0.07 |
0 |
|
|
64042 |
26759744 |
1 |
N2S3O4C21H24 |
A2B3C4D21E24 |
-111.13 |
9.65 |
-9.05 |
-0.92 |
0 |
|
|
64043 |
26759747 |
2 |
NO3C9H10 |
AB3C9D10 |
-201.58 |
5.36 |
-8.85 |
-0.26 |
0 |
|
|
64044 |
26759756 |
1 |
ClSN3O6C20H20 |
ABC3D6E20F20 |
-110.66 |
10.33 |
-9.23 |
-1.85 |
0 |
|
|
64045 |
26759757 |
1 |
N2O6H16C19 |
A2B6C16D19 |
-175.4 |
2.08 |
-8.89 |
-0.99 |
0 |
|
|
64046 |
26759758 |
1 |
ClSN2O6C23H27 |
ABC2D6E23F27 |
-192.33 |
8.87 |
-9.06 |
-1.1 |
0 |
|
|
64047 |
26759762 |
1 |
S2N3O5C22H27 |
A2B3C5D22E27 |
-172.78 |
6.03 |
-9.05 |
-0.93 |
0 |
|
|
64048 |
26759763 |
1 |
N2F3O6H15C20 |
A2B3C6D15E20 |
-338.6 |
3.14 |
-9.33 |
-1.12 |
0 |
|
|
64049 |
26759764 |
1 |
N2F3O6H13C19 |
A2B3C6D13E19 |
-329.55 |
4.48 |
-9.34 |
-1.13 |
0 |
|
|
64050 |
26759768 |
1 |
N2F3O6H11C13 |
A2B3C6D11E13 |
-367.81 |
4.03 |
-9.22 |
-0.93 |
0 |