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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
64851 |
29204092 |
1 |
N3O3C16H23 |
A3B3C16D23 |
-50.58 |
10.07 |
-8.99 |
-0.98 |
0 |
|
|
64852 |
29204094 |
1 |
ClON3C18H28 |
ABC3D18E28 |
-46.23 |
5.36 |
-8.94 |
-0.32 |
0 |
|
|
64853 |
29204095 |
1 |
ClON3C18H28 |
ABC3D18E28 |
-45.09 |
5.21 |
-8.92 |
-0.31 |
0 |
|
|
64854 |
29204096 |
1 |
ClON3C18H28 |
ABC3D18E28 |
-45.26 |
5.14 |
-8.95 |
-0.27 |
0 |
|
|
64855 |
29204097 |
1 |
SO2N3C21H25 |
AB2C3D21E25 |
-31.99 |
3.31 |
-9.01 |
-0.91 |
0 |
|
|
64856 |
29204098 |
1 |
SO2N3C21H25 |
AB2C3D21E25 |
-33.2 |
2.52 |
-9.01 |
-0.99 |
0 |
|
|
64857 |
29204099 |
1 |
SO2N3C21H25 |
AB2C3D21E25 |
-32.1 |
2.96 |
-9.04 |
-0.89 |
0 |
|
|
64858 |
29204104 |
1 |
ON2C20H24 |
AB2C20D24 |
-2.17 |
4.35 |
-9.35 |
-0.84 |
0 |
|
|
64859 |
29204105 |
1 |
ON2C20H24 |
AB2C20D24 |
-1.55 |
4.55 |
-9.37 |
-0.85 |
0 |
|
|
64860 |
29204106 |
1 |
SN3O3C23H35 |
AB3C3D23E35 |
-140.99 |
5.73 |
-8.64 |
-0.12 |
0 |
|
|
64861 |
29204107 |
1 |
SN3O3C23H35 |
AB3C3D23E35 |
-137.54 |
8.57 |
-8.6 |
-0.07 |
0 |
|
|
64862 |
29204109 |
1 |
N2O5C17H20 |
A2B5C17D20 |
-95.97 |
4.33 |
-9.26 |
-1.72 |
0 |
|
|
64863 |
29204110 |
1 |
N2O5C17H20 |
A2B5C17D20 |
-97.65 |
3.47 |
-9.26 |
-1.73 |
0 |
|
|
64864 |
29204112 |
1 |
ClNO3C17H22 |
ABC3D17E22 |
-125.93 |
3.99 |
-9.12 |
-0.43 |
0 |
|
|
64865 |
29204114 |
1 |
ClNO3C17H22 |
ABC3D17E22 |
-126.09 |
3.45 |
-9.12 |
-0.45 |
0 |
|
|
64866 |
29204116 |
1 |
ClSN2O4C16H23 |
ABC2D4E16F23 |
-132.04 |
9.33 |
-9.57 |
-1.08 |
0 |
|
|
64867 |
29204117 |
2 |
NOC13H18 |
ABC13D18 |
-116.19 |
0.93 |
-9.23 |
-0.19 |
0 |
|
|
64868 |
29204125 |
1 |
ClNO3C19H24 |
ABC3D19E24 |
-113.32 |
6.92 |
-8.93 |
-0.74 |
0 |
|
|
64869 |
29204126 |
1 |
ON2C17H22 |
AB2C17D22 |
-24.41 |
6.26 |
-8.5 |
-0.05 |
0 |
|
|
64870 |
29204128 |
1 |
ON2C17H22 |
AB2C17D22 |
-24.83 |
5.82 |
-8.51 |
-0.09 |
0 |
|
|
64871 |
29204130 |
1 |
FNOSC16H18 |
ABCDE16F18 |
-72.47 |
5.26 |
-8.95 |
-0.92 |
0 |
|
|
64872 |
29204131 |
1 |
FNOSC16H18 |
ABCDE16F18 |
-71.73 |
4.69 |
-9.01 |
-0.88 |
0 |
|
|
64873 |
29204132 |
1 |
ON3C18H23 |
AB3C18D23 |
-1.33 |
6.08 |
-9.18 |
-0.62 |
0 |
|
|
64874 |
29204134 |
1 |
ON3C18H23 |
AB3C18D23 |
-3.21 |
3.05 |
-9.27 |
-0.6 |
0 |
|
|
64875 |
29204137 |
1 |
ClSN2O4C16H23 |
ABC2D4E16F23 |
-137.29 |
8.17 |
-9.58 |
-1.14 |
0 |
|
|
64876 |
29204140 |
1 |
SN2O4C16H24 |
AB2C4D16E24 |
-127.99 |
5.96 |
-9.47 |
-0.84 |
0 |
|
|
64877 |
29204142 |
1 |
O2N3C25H29 |
A2B3C25D29 |
-12.69 |
5.47 |
-8.62 |
-0.16 |
0 |
|
|
64878 |
29204143 |
1 |
O2N3C25H29 |
A2B3C25D29 |
-11.15 |
6.08 |
-8.6 |
-0.18 |
0 |
|
|
64879 |
29204144 |
1 |
SN3O3C17H23 |
AB3C3D17E23 |
-81.28 |
6.33 |
-9.51 |
-1.32 |
0 |
|
|
64880 |
29204145 |
1 |
SN3O3C17H23 |
AB3C3D17E23 |
-86.25 |
5.19 |
-9.36 |
-1.14 |
0 |
|
|
64881 |
29204146 |
1 |
SN3O3C17H23 |
AB3C3D17E23 |
-85.08 |
5.84 |
-9.4 |
-1.21 |
0 |
|
|
64882 |
29204147 |
1 |
ClNO2C16H18 |
ABC2D16E18 |
-62.1 |
4.4 |
-9.44 |
-0.92 |
0 |
|
|
64883 |
29204148 |
1 |
ClNO2C16H18 |
ABC2D16E18 |
-63.03 |
4.45 |
-9.44 |
-0.95 |
0 |
|
|
64884 |
29204149 |
1 |
ClNO2C16H18 |
ABC2D16E18 |
-62.15 |
4.42 |
-9.45 |
-0.88 |
0 |
|
|
64885 |
29204150 |
1 |
SN2O5C20H26 |
AB2C5D20E26 |
-201.7 |
6.17 |
-9.12 |
-1.52 |
0 |
|
|
64886 |
29204151 |
1 |
SN2O5C20H26 |
AB2C5D20E26 |
-204.81 |
6.13 |
-9.16 |
-1.56 |
0 |
|
|
64887 |
29204152 |
1 |
SN2O3C23H30 |
AB2C3D23E30 |
-105.36 |
7.66 |
-9.33 |
0.02 |
0 |
|
|
64888 |
29204153 |
1 |
SN2O5C20H26 |
AB2C5D20E26 |
-196.81 |
2.39 |
-9.17 |
-1.19 |
0 |
|
|
64889 |
29204155 |
1 |
N3O5C17H21 |
A3B5C17D21 |
-121.0 |
6.4 |
-9.66 |
-1.82 |
0 |
|
|
64890 |
29204156 |
1 |
N3O5C17H21 |
A3B5C17D21 |
-122.1 |
7.2 |
-9.76 |
-1.78 |
0 |
|
|
64891 |
29204157 |
1 |
N3O5C17H21 |
A3B5C17D21 |
-121.54 |
7.38 |
-9.67 |
-1.75 |
0 |
|
|
64892 |
29204159 |
1 |
SN2O4C17H26 |
AB2C4D17E26 |
-158.91 |
9.16 |
-9.08 |
0.23 |
0 |
|
|
64893 |
29204160 |
1 |
O3N4C25H26 |
A3B4C25D26 |
19.82 |
6.4 |
-8.97 |
-1.02 |
0 |
|
|
64894 |
29204161 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-74.51 |
2.37 |
-8.87 |
-0.56 |
0 |
|
|
64895 |
29204162 |
1 |
N3O5C21H27 |
A3B5C21D27 |
-154.7 |
1.44 |
-8.42 |
-0.37 |
0 |
|
|
64896 |
29204163 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-2.65 |
10.68 |
-9.07 |
-1.08 |
0 |
|
|
64897 |
29204164 |
1 |
ClON4C19H19 |
ABC4D19E19 |
25.91 |
4.74 |
-9.51 |
-0.61 |
0 |
|
|
64898 |
29204165 |
1 |
SO3N4C23H30 |
AB3C4D23E30 |
-81.51 |
9.36 |
-8.94 |
-0.61 |
0 |
|
|
64899 |
29204167 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-7.2 |
7.33 |
-9.01 |
-0.94 |
0 |
|
|
64900 |
29204168 |
1 |
SN4O4C22H28 |
AB4C4D22E28 |
-110.13 |
7.08 |
-9.02 |
-0.65 |
0 |
|
|
64901 |
29204171 |
1 |
SN4O4C21H28 |
AB4C4D21E28 |
-114.32 |
7.08 |
-9.22 |
-0.74 |
0 |
|
|
64902 |
29204172 |
1 |
ON4C17H18 |
AB4C17D18 |
28.58 |
4.87 |
-8.89 |
-0.52 |
0 |
|
|
64903 |
29204173 |
1 |
SO3N4C15H16 |
AB3C4D15E16 |
-88.24 |
1.5 |
-8.91 |
-0.55 |
0 |
|
|
64904 |
29204174 |
1 |
ClON4C17H21 |
ABC4D17E21 |
10.6 |
3.23 |
-9.15 |
-0.42 |
0 |
|
|
64905 |
29204176 |
1 |
ON4H20C23 |
AB4C20D23 |
79.12 |
5.18 |
-8.72 |
-0.58 |
0 |
|
|
64906 |
29204177 |
1 |
ClN2O3H15C16 |
AB2C3D15E16 |
-68.45 |
1.09 |
-9.11 |
-0.44 |
0 |
|
|
64907 |
29204178 |
1 |
ClSN3O4C15H16 |
ABC3D4E15F16 |
-77.07 |
3.85 |
-9.87 |
-1.06 |
0 |
|
|
64908 |
29204179 |
1 |
O2N3C25H29 |
A2B3C25D29 |
-59.62 |
3.25 |
-9.68 |
-0.42 |
0 |
|
|
64909 |
29204180 |
1 |
SO2N3C14H17 |
AB2C3D14E17 |
-56.47 |
5.42 |
-8.9 |
-0.35 |
0 |
|
|
64910 |
29204181 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-135.49 |
4.23 |
-9.12 |
-0.38 |
0 |
|
|
64911 |
29204182 |
1 |
N2O3C17H20 |
A2B3C17D20 |
-79.81 |
2.57 |
-8.57 |
-0.48 |
0 |
|
|
64912 |
29204186 |
1 |
OSN2H16C19 |
ABC2D16E19 |
53.52 |
2.87 |
-8.99 |
-1.03 |
0 |
|
|
64913 |
29204189 |
1 |
N4O5H14C16 |
A4B5C14D16 |
-62.85 |
8.35 |
-9.91 |
-1.77 |
0 |
|
|
64914 |
29204190 |
1 |
OSF2N4H14C16 |
ABC2D4E14F16 |
-57.64 |
1.86 |
-9.18 |
-1.08 |
0 |
|
|
64915 |
29204194 |
1 |
O3N4C25H26 |
A3B4C25D26 |
19.42 |
9.86 |
-8.98 |
-0.96 |
0 |
|
|
64916 |
29204196 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-66.39 |
3.33 |
-8.98 |
-0.38 |
0 |
|
|
64917 |
29204197 |
1 |
N3O5C21H27 |
A3B5C21D27 |
-158.63 |
4.03 |
-8.85 |
-0.68 |
0 |
|
|
64918 |
29204198 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-2.52 |
8.4 |
-9.04 |
-1.04 |
0 |
|
|
64919 |
29204199 |
1 |
ClSN3O3C17H20 |
ABC3D3E17F20 |
-86.07 |
4.75 |
-9.76 |
-1.17 |
0 |
|
|
64920 |
29204201 |
1 |
ClON4H17C18 |
ABC4D17E18 |
44.6 |
6.94 |
-9.65 |
-0.43 |
0 |
|
|
64921 |
29204202 |
1 |
SO3N4C23H30 |
AB3C4D23E30 |
-85.4 |
5.35 |
-9.03 |
-0.58 |
0 |
|
|
64922 |
29204203 |
1 |
SO3N4C19H24 |
AB3C4D19E24 |
-71.92 |
5.09 |
-8.74 |
-0.44 |
0 |
|
|
64923 |
29204205 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-5.69 |
8.07 |
-9.19 |
-1.14 |
0 |
|
|
64924 |
29204206 |
1 |
ON4C19H20 |
AB4C19D20 |
38.72 |
4.91 |
-9.44 |
-0.44 |
0 |
|
|
64925 |
29204207 |
1 |
SN4O4C22H28 |
AB4C4D22E28 |
-107.79 |
10.91 |
-9.13 |
-0.74 |
0 |
|
|
64926 |
29204208 |
1 |
ON4H22C24 |
AB4C22D24 |
66.37 |
3.38 |
-9.21 |
-0.75 |
0 |
|
|
64927 |
29204209 |
1 |
O2N4H20C23 |
A2B4C20D23 |
47.38 |
3.67 |
-9.16 |
-0.67 |
0 |
|
|
64928 |
29204210 |
1 |
ON4C20H22 |
AB4C20D22 |
28.29 |
5.81 |
-9.37 |
-0.41 |
0 |
|
|
64929 |
29204211 |
1 |
SO2N3C11H13 |
AB2C3D11E13 |
-47.14 |
1.38 |
-9.18 |
-0.49 |
0 |
|
|
64930 |
29204212 |
1 |
ClFSN3O3H17C20 |
ABCD3E3F17G20 |
-100.12 |
5.11 |
-8.98 |
-1.46 |
0 |
|
|
64931 |
29204213 |
1 |
SN4O4C21H28 |
AB4C4D21E28 |
-114.61 |
3.59 |
-9.32 |
-0.79 |
0 |
|
|
64932 |
29204214 |
2 |
ON2C7H7 |
AB2C7D7 |
-28.41 |
7.05 |
-9.24 |
-0.44 |
0 |
|
|
64933 |
29204218 |
1 |
ClON4C17H21 |
ABC4D17E21 |
11.01 |
5.12 |
-9.31 |
-0.53 |
0 |
|
|
64934 |
29204219 |
1 |
SO2N4H18C20 |
AB2C4D18E20 |
20.77 |
7.5 |
-8.84 |
-0.65 |
0 |
|
|
64935 |
29204220 |
1 |
SO2F3N4H17C21 |
AB2C3D4E17F21 |
-136.95 |
2.97 |
-9.36 |
-1.31 |
0 |
|
|
64936 |
29204221 |
1 |
ON4H20C23 |
AB4C20D23 |
76.9 |
5.03 |
-9.03 |
-0.67 |
0 |
|
|
64937 |
29204223 |
2 |
ON2H7C8 |
AB2C7D8 |
-1.48 |
3.15 |
-9.45 |
-1.36 |
0 |
|
|
64938 |
29204226 |
1 |
ON4C19H20 |
AB4C19D20 |
36.5 |
3.74 |
-9.11 |
-0.48 |
0 |
|
|
64939 |
29204227 |
1 |
N3O3C17H17 |
A3B3C17D17 |
-63.76 |
4.4 |
-9.43 |
-0.57 |
0 |
|
|
64940 |
29204228 |
1 |
ClSN3O4C15H16 |
ABC3D4E15F16 |
-75.96 |
3.87 |
-9.7 |
-1.24 |
0 |
|
|
64941 |
29204229 |
1 |
ClOSN2H13C17 |
ABCD2E13F17 |
36.54 |
5.58 |
-8.93 |
-1.41 |
0 |
|
|
64942 |
29204230 |
1 |
O2N3C25H29 |
A2B3C25D29 |
-58.17 |
3.96 |
-9.84 |
-0.73 |
0 |
|
|
64943 |
29204232 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-101.83 |
5.75 |
-9.62 |
-0.28 |
0 |
|
|
64944 |
29204233 |
1 |
SO2N3C13H15 |
AB2C3D13E15 |
-50.98 |
1.36 |
-8.94 |
-0.46 |
0 |
|
|
64945 |
29204234 |
1 |
BrSN3O4C15H16 |
ABC3D4E15F16 |
-73.18 |
5.07 |
-9.54 |
-1.14 |
0 |
|
|
64946 |
29204235 |
1 |
N2O2C17H18 |
A2B2C17D18 |
-20.45 |
5.24 |
-8.79 |
-0.54 |
0 |
|
|
64947 |
29204236 |
1 |
ON4H24C25 |
AB4C24D25 |
61.41 |
5.66 |
-8.99 |
-0.27 |
0 |
|
|
64948 |
29204237 |
1 |
SN4O5C21H26 |
AB4C5D21E26 |
-139.62 |
4.9 |
-9.39 |
-0.91 |
0 |
|
|
64949 |
29204241 |
1 |
FN2O2H15C16 |
AB2C2D15E16 |
-55.07 |
3.56 |
-9.08 |
-0.75 |
0 |
|
|
64950 |
29204242 |
1 |
SO3N4C18H18 |
AB3C4D18E18 |
-31.23 |
10.95 |
-9.63 |
-1.44 |
0 |