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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
26923 |
804395 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-28.65 |
1.28 |
-9.09 |
-1.27 |
0 |
|
|
26924 |
804401 |
1 |
NO4H15C18 |
AB4C15D18 |
-119.89 |
2.0 |
-9.01 |
-0.24 |
0 |
|
|
26925 |
804403 |
1 |
ON3C17H19 |
AB3C17D19 |
27.29 |
10.64 |
-7.92 |
-0.63 |
0 |
|
|
26926 |
804405 |
1 |
O2S2C7H10 |
A2B2C7D10 |
-65.92 |
4.73 |
-9.44 |
-0.48 |
0 |
|
|
26927 |
804406 |
1 |
ON2S2C13H14 |
AB2C2D13E14 |
10.12 |
1.62 |
-8.85 |
-1.45 |
0 |
|
|
26928 |
804407 |
1 |
BrO2S2C8H11 |
AB2C2D8E11 |
-63.5 |
5.4 |
-9.48 |
-1.15 |
0 |
|
|
26929 |
804408 |
1 |
ClN4H15C19 |
AB4C15D19 |
102.67 |
7.13 |
-8.37 |
-0.6 |
0 |
|
|
26930 |
804409 |
1 |
NOC15H21 |
ABC15D21 |
-56.76 |
3.68 |
-9.48 |
-0.07 |
0 |
|
|
26931 |
804412 |
1 |
NOC15H21 |
ABC15D21 |
-56.07 |
3.63 |
-9.5 |
-0.08 |
0 |
|
|
26932 |
804413 |
1 |
OS2H8C10 |
AB2C8D10 |
15.44 |
2.38 |
-8.59 |
-0.47 |
0 |
|
|
26933 |
804414 |
1 |
SN2O3H14C18 |
AB2C3D14E18 |
-51.84 |
7.09 |
-9.49 |
-1.2 |
0 |
|
|
26934 |
804416 |
1 |
SN2O3H14C18 |
AB2C3D14E18 |
-45.59 |
5.95 |
-9.41 |
-1.03 |
0 |
|
|
26935 |
804486 |
1 |
ClF3N3H11C16 |
AB3C3D11E16 |
-73.46 |
4.67 |
-8.86 |
-1.54 |
0 |
|
|
26936 |
804502 |
1 |
SN3O3H9C11 |
AB3C3D9E11 |
5.26 |
3.28 |
-9.43 |
-1.54 |
0 |
|
|
26937 |
804549 |
1 |
ClFNO2H13C15 |
ABCD2E13F15 |
-94.84 |
3.98 |
-9.14 |
-0.54 |
0 |
|
|
26938 |
804550 |
1 |
OSN2H10C11 |
ABC2D10E11 |
8.42 |
4.92 |
-9.11 |
-0.98 |
0 |
|
|
26939 |
804554 |
1 |
SN2O3C17H26 |
AB2C3D17E26 |
-130.17 |
4.65 |
-9.62 |
-0.46 |
0 |
|
|
26940 |
804572 |
1 |
N2O3C16H28 |
A2B3C16D28 |
-189.12 |
4.38 |
-9.43 |
0.5 |
0 |
|
|
26941 |
804579 |
1 |
O5C11H12 |
A5B11C12 |
-202.14 |
4.73 |
-10.02 |
-0.29 |
0 |
|
|
26942 |
804582 |
1 |
ClSN2O3C15H15 |
ABC2D3E15F15 |
-82.28 |
4.53 |
-9.62 |
-1.19 |
0 |
|
|
26943 |
804595 |
1 |
ClO3H13C16 |
AB3C13D16 |
-76.72 |
4.56 |
-9.93 |
-0.97 |
0 |
|
|
26944 |
804598 |
1 |
O2F3N3C12H12 |
A2B3C3D12E12 |
-188.88 |
3.71 |
-9.97 |
-1.12 |
0 |
|
|
26945 |
804612 |
1 |
ClNO2H12C13 |
ABC2D12E13 |
-29.25 |
3.86 |
-8.7 |
-0.93 |
0 |
|
|
26946 |
804621 |
1 |
NSH13C14 |
ABC13D14 |
55.74 |
4.86 |
-8.64 |
-0.74 |
0 |
|
|
26947 |
804654 |
2 |
NO2C9H9 |
AB2C9D9 |
-137.27 |
4.54 |
-9.18 |
-1.05 |
0 |
|
|
26948 |
804655 |
1 |
ClON2H15C19 |
ABC2D15E19 |
38.79 |
4.03 |
-9.4 |
-0.54 |
0 |
|
|
26949 |
804735 |
1 |
NO3H17C19 |
AB3C17D19 |
-63.87 |
4.76 |
-8.71 |
-0.89 |
0 |
|
|
26950 |
804759 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-79.06 |
2.95 |
-8.15 |
-0.1 |
0 |
|
|
26951 |
804856 |
1 |
NO3C14H17 |
AB3C14D17 |
-124.69 |
2.63 |
-8.47 |
0.22 |
0 |
|
|
26952 |
804880 |
1 |
ClO2H13C16 |
AB2C13D16 |
-46.56 |
2.95 |
-8.91 |
-0.57 |
0 |
|
|
26953 |
805003 |
1 |
NSO3C18H21 |
ABC3D18E21 |
-118.22 |
2.92 |
-8.56 |
-0.7 |
0 |
|
|
26954 |
805164 |
1 |
OSN3H15C16 |
ABC3D15E16 |
62.55 |
4.9 |
-8.5 |
-0.68 |
0 |
|
|
26955 |
805247 |
1 |
O5H12C16 |
A5B12C16 |
-130.0 |
9.01 |
-9.02 |
-1.27 |
0 |
|
|
26956 |
805249 |
1 |
SN2O4C16H16 |
AB2C4D16E16 |
-81.17 |
4.56 |
-8.74 |
-0.71 |
0 |
|
|
26957 |
805341 |
1 |
NO2C16H19 |
AB2C16D19 |
-53.54 |
2.25 |
-8.99 |
-0.86 |
0 |
|
|
26958 |
805402 |
1 |
ClNO3H14C19 |
ABC3D14E19 |
-15.83 |
2.36 |
-9.03 |
-1.06 |
0 |
|
|
26959 |
806059 |
1 |
FNO2H12C20 |
ABC2D12E20 |
-14.07 |
2.43 |
-9.04 |
-1.53 |
0 |
|
|
26960 |
806067 |
1 |
ClON2C17H17 |
ABC2D17E17 |
-3.61 |
2.7 |
-7.76 |
-0.63 |
0 |
|
|
26961 |
806650 |
1 |
ClN2O3H15C17 |
AB2C3D15E17 |
-10.3 |
2.45 |
-8.87 |
-1.8 |
0 |
|
|
26962 |
806775 |
2 |
O2H7C8 |
A2B7C8 |
-98.16 |
5.69 |
-9.09 |
-0.68 |
0 |
|
|
26963 |
806786 |
1 |
NO2H21C23 |
AB2C21D23 |
2.65 |
5.04 |
-8.81 |
-0.2 |
0 |
|
|
26964 |
806799 |
1 |
NO6C17H17 |
AB6C17D17 |
-127.11 |
6.16 |
-9.56 |
-1.3 |
0 |
|
|
26965 |
806859 |
1 |
SN2O3C13H24 |
AB2C3D13E24 |
-155.11 |
4.65 |
-9.21 |
0.28 |
0 |
|
|
26966 |
806867 |
1 |
N2O2C21H26 |
A2B2C21D26 |
-45.13 |
3.64 |
-8.84 |
0.05 |
0 |
|
|
26967 |
806876 |
1 |
FNOC14H18 |
ABCD14E18 |
-96.14 |
4.9 |
-8.89 |
-0.13 |
0 |
|
|
26968 |
806879 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-101.58 |
4.86 |
-8.54 |
-0.17 |
0 |
|
|
26969 |
807342 |
1 |
ON2C21H32 |
AB2C21D32 |
-60.61 |
4.72 |
-8.57 |
0.62 |
0 |
|
|
26970 |
807343 |
2 |
NO2C7H9 |
AB2C7D9 |
-150.82 |
5.7 |
-8.39 |
-0.01 |
0 |
|
|
26971 |
807344 |
1 |
BrNOC14H18 |
ABCD14E18 |
-50.48 |
2.38 |
-8.98 |
-0.23 |
0 |
|
|
26972 |
807367 |
1 |
ClON2C19H27 |
ABC2D19E27 |
-54.86 |
5.5 |
-8.68 |
0.14 |
0 |
|
|
26973 |
807827 |
1 |
FN2O3H15C17 |
AB2C3D15E17 |
-40.25 |
3.63 |
-9.67 |
-1.61 |
0 |
|
|
26974 |
808027 |
1 |
SN3O4C15H23 |
AB3C4D15E23 |
-87.32 |
7.02 |
-8.89 |
-1.77 |
0 |
|
|
26975 |
808521 |
1 |
NOS2H17C19 |
ABC2D17E19 |
33.11 |
3.33 |
-9.05 |
-0.65 |
0 |
|
|
26976 |
808522 |
1 |
NOS2H17C19 |
ABC2D17E19 |
41.47 |
3.81 |
-8.9 |
-0.55 |
0 |
|
|
26977 |
808556 |
1 |
FNSO3C13H14 |
ABCD3E13F14 |
-146.56 |
4.15 |
-9.01 |
-0.5 |
0 |
|
|
26978 |
808807 |
1 |
ClNO3H10C11 |
ABC3D10E11 |
-96.33 |
2.56 |
-9.2 |
-0.63 |
0 |
|
|
26979 |
808809 |
1 |
ClNO3H10C11 |
ABC3D10E11 |
-98.21 |
2.7 |
-9.25 |
-0.67 |
0 |
|
|
26980 |
808810 |
1 |
FN3H18C21 |
AB3C18D21 |
49.72 |
2.87 |
-8.38 |
-0.6 |
0 |
|
|
26981 |
808815 |
1 |
N3H21C22 |
A3B21C22 |
89.93 |
2.39 |
-8.43 |
-0.43 |
0 |
|
|
26982 |
809198 |
1 |
SN2O2C14H14 |
AB2C2D14E14 |
-16.01 |
1.46 |
-9.51 |
-0.99 |
0 |
|
|
26983 |
809351 |
1 |
N3C20H25 |
A3B20C25 |
36.17 |
3.94 |
-8.32 |
-0.33 |
0 |
|
|
26984 |
809353 |
1 |
N3C22H27 |
A3B22C27 |
37.33 |
2.96 |
-8.27 |
-0.32 |
0 |
|
|
26985 |
809354 |
1 |
FN3H20C22 |
AB3C20D22 |
36.28 |
5.0 |
-8.16 |
-0.59 |
0 |
|
|
26986 |
809355 |
1 |
N3C23H23 |
A3B23C23 |
74.84 |
3.89 |
-8.04 |
-0.39 |
0 |
|
|
26987 |
809356 |
1 |
Cl2N3C17H17 |
A2B3C17D17 |
44.33 |
4.05 |
-8.39 |
-0.86 |
0 |
|
|
26988 |
809357 |
1 |
Cl2N3C18H19 |
A2B3C18D19 |
39.72 |
3.32 |
-8.69 |
-0.98 |
0 |
|
|
26989 |
809492 |
2 |
N2C10H13 |
A2B10C13 |
53.21 |
5.48 |
-8.49 |
-0.7 |
0 |
|
|
26990 |
809493 |
1 |
N3C22H29 |
A3B22C29 |
34.85 |
3.69 |
-8.52 |
-0.38 |
0 |
|
|
26991 |
809494 |
1 |
N3C22H29 |
A3B22C29 |
37.78 |
5.16 |
-8.41 |
-0.52 |
0 |
|
|
26992 |
809708 |
1 |
NSO3C19H27 |
ABC3D19E27 |
-139.55 |
4.09 |
-9.1 |
-0.43 |
0 |
|
|
26993 |
810289 |
2 |
NOC11H12 |
ABC11D12 |
5.31 |
6.34 |
-8.8 |
-0.02 |
0 |
|
|
26994 |
810295 |
1 |
SN3H15C16 |
AB3C15D16 |
76.12 |
0.94 |
-8.12 |
-0.41 |
0 |
|
|
26995 |
810313 |
1 |
SO2N3C18H19 |
AB2C3D18E19 |
-36.79 |
4.0 |
-8.54 |
-0.56 |
0 |
|
|
26996 |
810586 |
1 |
NO2C16H21 |
AB2C16D21 |
-56.7 |
2.18 |
-8.26 |
-0.16 |
0 |
|
|
26997 |
810609 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-77.49 |
5.04 |
-9.62 |
-0.48 |
0 |
|
|
26998 |
810612 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-80.7 |
4.35 |
-9.57 |
-0.5 |
0 |
|
|
26999 |
810613 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-31.98 |
4.61 |
-9.62 |
-0.54 |
0 |
|
|
27000 |
810615 |
1 |
SN3O3C17H19 |
AB3C3D17E19 |
-23.44 |
4.03 |
-9.2 |
-0.54 |
0 |
|
|
27001 |
810616 |
1 |
SN2O3C14H16 |
AB2C3D14E16 |
-84.93 |
3.28 |
-8.76 |
-1.31 |
0 |
|
|
27002 |
810625 |
1 |
N3O4C14H19 |
A3B4C14D19 |
-91.34 |
3.87 |
-9.68 |
-0.55 |
0 |
|
|
27003 |
810648 |
1 |
FN3O3C16H18 |
AB3C3D16E18 |
-121.17 |
3.68 |
-9.89 |
-0.67 |
0 |
|
|
27004 |
811127 |
1 |
SN2O3C17H26 |
AB2C3D17E26 |
-125.38 |
1.53 |
-9.53 |
-1.15 |
0 |
|
|
27005 |
811128 |
1 |
SN2O3C15H22 |
AB2C3D15E22 |
-117.67 |
4.12 |
-9.43 |
-0.98 |
0 |
|
|
27006 |
811129 |
1 |
O3N4H12C13 |
A3B4C12D13 |
9.29 |
6.34 |
-9.88 |
-1.8 |
0 |
|
|
27007 |
811132 |
2 |
ON2H9C10 |
AB2C9D10 |
-9.94 |
0.16 |
-9.26 |
-0.94 |
0 |
|
|
27008 |
811133 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-92.15 |
7.9 |
-9.27 |
-0.55 |
0 |
|
|
27009 |
811135 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-85.51 |
4.76 |
-9.57 |
-1.1 |
0 |
|
|
27010 |
811139 |
1 |
SN2O4H10C12 |
AB2C4D10E12 |
-29.83 |
10.17 |
-9.17 |
-1.23 |
0 |
|
|
27011 |
811293 |
1 |
OSN4C17H22 |
ABC4D17E22 |
12.64 |
2.28 |
-8.96 |
-0.46 |
0 |
|
|
27012 |
811473 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-85.35 |
6.87 |
-8.58 |
0.0 |
0 |
|
|
27013 |
811476 |
1 |
O2S2N3C15H21 |
A2B2C3D15E21 |
-69.36 |
5.87 |
-9.1 |
-0.77 |
0 |
|
|
27014 |
811560 |
1 |
OSN4C17H20 |
ABC4D17E20 |
34.7 |
1.84 |
-9.12 |
-0.62 |
0 |
|
|
27015 |
811591 |
1 |
SO2N3C14H15 |
AB2C3D14E15 |
-36.83 |
6.64 |
-9.07 |
-0.22 |
0 |
|
|
27016 |
811596 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-79.05 |
6.05 |
-9.55 |
-0.25 |
0 |
|
|
27017 |
811641 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-111.6 |
2.45 |
-9.24 |
-0.28 |
0 |
|
|
27018 |
811678 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-38.82 |
5.49 |
-9.34 |
-0.64 |
0 |
|
|
27019 |
811679 |
1 |
N3O3C17H19 |
A3B3C17D19 |
-78.52 |
7.89 |
-9.4 |
-0.71 |
0 |
|
|
27020 |
811680 |
2 |
SO2H5C8 |
AB2C5D8 |
-66.15 |
0.09 |
-9.06 |
-1.19 |
0 |
|
|
27021 |
811761 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-26.1 |
6.01 |
-8.44 |
-0.39 |
0 |
|
|
27022 |
812591 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-17.3 |
5.28 |
-9.51 |
-0.63 |
0 |